#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm s SER 2 N 0.00 -0.05 -0.12 1.61 1.04 -1.26 -5.07 113.70 109.85 1wjm s SER 2 Ca 0.00 -0.03 -0.07 0.00 0.48 0.00 0.00 55.95 56.33 1wjm s SER 2 Cb 0.00 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 1wjm s SER 2 CO 0.00 -0.01 0.09 -1.28 0.98 0.00 0.00 173.24 173.03 1wjm h SER 3 N 5.06 0.00 0.00 7.02 0.87 -2.01 -3.49 113.55 121.00 1wjm h SER 3 Ca -0.06 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1wjm h SER 3 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1wjm h SER 3 CO -0.11 0.68 0.00 0.61 -0.53 0.00 0.00 176.83 177.48 1wjm n GLY 4 N 1.70 0.56 0.48 5.77 0.00 -1.26 -4.97 105.19 107.46 1wjm n GLY 4 Ca -0.05 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1wjm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wjm n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.16 113.62 112.22 1wjm n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wjm n SER 5 Cb 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1wjm n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wjm n SER 6 N -1.62 0.00 0.00 4.04 3.41 -1.26 -5.04 113.62 113.16 1wjm n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wjm n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wjm n GLY 7 N -0.16 1.03 3.41 5.00 0.00 -1.26 -5.03 105.19 108.19 1wjm n GLY 7 Ca 0.00 0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1wjm n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 8 N 4.80 3.21 0.12 1.61 8.01 -1.26 -5.03 118.70 130.16 1wjm s GLU 8 Ca 0.00 -1.31 -0.02 0.00 0.01 0.00 0.00 54.97 53.65 1wjm s GLU 8 Cb 0.00 -4.40 -0.05 0.00 -4.31 0.00 0.00 34.13 25.38 1wjm s GLU 8 CO 0.00 -1.67 0.31 -0.65 0.01 0.00 0.00 175.26 173.26 1wjm s GLN 9 N 3.01 3.53 -0.23 1.61 -0.21 -1.26 -4.73 119.66 121.38 1wjm s GLN 9 Ca 0.20 -0.28 -0.17 0.00 0.02 0.00 0.00 55.36 55.13 1wjm s GLN 9 Cb -0.17 -2.93 0.06 0.00 1.00 0.00 0.00 33.01 30.98 1wjm s GLN 9 CO 0.03 0.52 0.59 1.41 -2.12 0.00 0.00 175.29 175.72 1wjm s MET 10 N -2.70 0.65 -0.15 2.91 1.75 -1.17 -5.01 119.30 115.57 1wjm s MET 10 Ca 0.38 0.94 -0.09 0.00 -1.25 0.00 0.00 55.69 55.67 1wjm s MET 10 Cb -0.12 0.22 0.05 0.00 2.84 0.00 0.00 34.83 37.82 1wjm s MET 10 CO 0.27 -0.12 0.36 -1.83 -0.65 0.00 0.00 175.02 173.05 1wjm s GLU 11 N 0.89 0.36 -0.01 4.11 -1.05 -1.26 0.13 118.70 121.86 1wjm s GLU 11 Ca -0.05 0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 55.15 1wjm s GLU 11 Cb -0.05 -0.00 0.11 0.00 -0.44 0.00 0.00 34.13 33.75 1wjm s GLU 11 CO -0.08 -0.14 1.14 0.20 0.95 0.00 0.00 175.26 177.33 1wjm s GLY 12 N 1.14 -0.35 -0.26 -3.83 0.00 0.18 -4.99 107.32 99.21 1wjm s GLY 12 Ca -0.08 0.81 -0.29 0.00 0.00 0.00 0.00 44.72 45.16 1wjm s GLY 12 CO -0.09 0.22 1.57 -0.29 0.00 0.00 0.00 173.10 174.51 1wjm s MET 13 N -2.72 3.75 0.12 2.90 1.75 -1.26 -0.88 119.30 122.95 1wjm s MET 13 Ca 0.11 1.52 0.05 0.00 -1.25 0.00 0.00 55.69 56.12 1wjm s MET 13 Cb 0.01 -4.03 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 1wjm s MET 13 CO -0.03 -1.35 -0.12 -0.51 -0.65 0.00 0.00 175.02 172.35 1wjm s LEU 14 N 5.28 2.42 -0.69 4.11 1.02 -1.09 -4.69 118.68 125.03 1wjm s LEU 14 Ca 0.69 -0.83 -0.18 0.00 0.02 0.00 0.00 54.13 53.84 1wjm s LEU 14 Cb -0.23 -0.45 0.13 0.00 0.02 0.00 0.00 46.19 45.67 1wjm s LEU 14 CO 0.29 -0.20 0.77 0.00 0.02 0.00 0.00 176.35 177.23 1wjm s ARG 16 N 2.08 4.05 -0.31 0.00 3.52 -0.97 -3.01 118.95 124.31 1wjm s ARG 16 Ca 0.16 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.30 1wjm s ARG 16 Cb -0.19 -3.67 0.09 0.00 -1.56 0.00 0.00 34.95 29.62 1wjm s ARG 16 CO 0.00 -0.48 0.04 0.21 -0.81 0.00 0.00 175.30 174.26 1wjm s LYS 17 N 2.60 1.32 -0.27 5.12 2.20 -0.04 -3.20 119.74 127.46 1wjm s LYS 17 Ca 0.27 -1.51 -0.28 0.00 -0.36 0.00 0.00 55.97 54.09 1wjm s LYS 17 Cb -0.15 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1wjm s LYS 17 CO 0.09 -0.89 2.05 -1.14 -0.36 0.00 0.00 175.35 175.11 1wjm s GLN 18 N 1.18 3.19 -0.13 4.03 0.74 -1.26 -2.56 119.66 124.85 1wjm s GLN 18 Ca 0.07 1.78 -0.09 0.00 0.05 0.00 0.00 55.36 57.17 1wjm s GLN 18 Cb -0.19 -4.31 -0.06 0.00 1.10 0.00 0.00 33.01 29.56 1wjm s GLN 18 CO -0.13 -2.03 0.02 0.93 -0.55 0.00 0.00 175.29 173.54 1wjm h GLU 19 N 14.27 0.00 -6.61 1.67 4.39 -1.66 -3.35 114.58 123.29 1wjm h GLU 19 Ca -0.38 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.67 1wjm h GLU 19 Cb 1.21 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.67 1wjm h GLU 19 CO 0.99 0.19 -0.83 -1.64 -1.16 0.00 0.00 179.01 176.57 1wjm s MET 20 N -1.97 1.46 -0.00 2.33 -1.94 -1.09 -2.85 119.30 115.23 1wjm s MET 20 Ca -0.11 -1.47 0.14 0.00 -1.71 0.00 0.00 55.69 52.55 1wjm s MET 20 Cb 0.01 -1.80 -0.17 0.00 2.01 0.00 0.00 34.83 34.88 1wjm s MET 20 CO 0.21 0.40 0.57 -1.91 -0.01 0.00 0.00 175.02 174.27 1wjm n GLU 21 N 0.43 1.92 0.00 2.03 2.13 -0.89 -3.12 120.64 123.13 1wjm n GLU 21 Ca -0.14 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1wjm n GLU 21 Cb 0.55 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.05 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm n ALA 22 N -1.46 0.00 -1.59 4.31 0.00 -0.67 -4.52 120.51 116.58 1wjm n ALA 22 Ca 0.02 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.90 1wjm n ALA 22 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 1wjm n ALA 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wjm n PHE 23 N -0.29 1.86 -1.10 0.00 3.72 -1.25 0.19 117.46 120.58 1wjm n PHE 23 Ca 0.00 0.47 -0.04 0.00 -0.05 0.00 0.00 57.45 57.83 1wjm n PHE 23 Cb 0.00 -2.47 -0.02 0.00 -0.94 0.00 0.00 39.48 36.05 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 5.19 0.40 3.76 1.37 0.00 -1.26 -4.94 105.19 109.70 1wjm n GLY 24 Ca 0.33 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.11 4.06 -0.10 1.61 2.47 0.50 -5.07 119.74 121.10 1wjm s LYS 25 Ca 0.00 -0.17 -0.08 0.00 -1.56 0.00 0.00 55.97 54.16 1wjm s LYS 25 Cb 0.00 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 1wjm s LYS 25 CO 0.00 0.39 0.18 -1.59 0.16 0.00 0.00 175.35 174.48 1wjm s LYS 26 N 0.10 3.51 0.52 4.03 -2.85 -1.26 -2.10 119.74 121.68 1wjm s LYS 26 Ca 0.10 -0.05 -0.21 0.00 -1.00 0.00 0.00 55.97 54.81 1wjm s LYS 26 Cb -0.11 -3.19 -0.06 0.00 -2.06 0.00 0.00 37.83 32.40 1wjm s LYS 26 CO -0.00 0.77 1.18 0.00 0.10 0.00 0.00 175.35 177.39 1wjm s ALA 27 N -1.04 2.79 0.00 0.59 0.00 -1.13 -4.53 121.76 118.44 1wjm s ALA 27 Ca 0.16 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1wjm s ALA 27 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1wjm s ALA 27 CO 0.05 -0.84 0.69 0.00 0.00 0.00 0.00 175.76 175.67 1wjm n ALA 28 N -1.00 -0.14 -0.38 0.00 0.00 -1.26 -4.31 120.51 113.42 1wjm n ALA 28 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1wjm n ALA 28 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1wjm n ALA 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wjm n ASN 29 N -1.25 0.00 -1.22 0.00 2.85 -1.26 -4.98 115.26 109.40 1wjm n ASN 29 Ca 0.00 0.59 -0.04 0.00 -0.11 0.00 0.00 54.58 55.02 1wjm n ASN 29 Cb 0.00 -0.31 0.02 0.00 1.24 0.00 0.00 39.78 40.73 1wjm n ASN 29 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1wjm n ARG 30 N -1.43 -1.32 -4.45 1.20 0.63 -1.26 -5.06 116.66 104.97 1wjm n ARG 30 Ca 0.00 0.15 -0.24 0.00 -0.92 0.00 0.00 57.85 56.84 1wjm n ARG 30 Cb 0.00 -3.10 -0.10 0.00 0.45 0.00 0.00 32.46 29.70 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 -3.14 3.46 0.09 6.15 1.04 -1.26 -4.92 113.70 115.11 1wjm s SER 31 Ca 0.06 -1.01 -0.30 0.00 0.48 0.00 0.00 55.95 55.18 1wjm s SER 31 Cb -0.03 -0.28 -0.06 0.00 0.10 0.00 0.00 66.02 65.76 1wjm s SER 31 CO 0.13 0.03 1.17 0.26 0.98 0.00 0.00 173.24 175.80 1wjm s TRP 32 N -2.46 3.48 -0.14 5.02 0.52 -1.26 -4.37 118.94 119.72 1wjm s TRP 32 Ca 0.28 1.38 -0.05 0.00 0.02 0.00 0.00 56.10 57.74 1wjm s TRP 32 Cb -0.05 -3.38 0.07 0.00 -1.15 0.00 0.00 33.47 28.96 1wjm s TRP 32 CO 0.14 -1.08 0.29 -0.65 0.02 0.00 0.00 176.95 175.66 1wjm s GLN 33 N 0.73 0.18 -0.40 4.98 -0.21 -1.19 -5.03 119.66 118.71 1wjm s GLN 33 Ca 0.56 0.77 -0.27 0.00 0.02 0.00 0.00 55.36 56.45 1wjm s GLN 33 Cb -0.29 -0.02 -0.06 0.00 1.00 0.00 0.00 33.01 33.64 1wjm s GLN 33 CO 0.31 -0.30 2.32 -0.80 -2.12 0.00 0.00 175.29 174.70 1wjm s ASN 34 N 2.45 4.82 -0.12 5.90 -0.87 -1.26 -2.30 114.94 123.56 1wjm s ASN 34 Ca 0.01 1.33 0.03 0.00 -1.57 0.00 0.00 52.86 52.66 1wjm s ASN 34 Cb -0.12 -2.51 0.01 0.00 -0.02 0.00 0.00 41.25 38.61 1wjm s ASN 34 CO -0.09 -2.54 -0.21 -0.69 -2.57 0.00 0.00 177.10 170.99 1wjm s VAL 35 N 10.73 1.96 -0.20 1.60 1.01 0.68 -4.87 120.40 131.30 1wjm s VAL 35 Ca 0.97 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1wjm s VAL 35 Cb -0.22 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1wjm s VAL 35 CO 0.29 0.53 1.64 -0.47 0.00 0.00 0.00 175.10 177.09 1wjm s TYR 36 N 0.67 2.06 -0.01 5.22 5.04 -0.11 -2.69 117.35 127.53 1wjm s TYR 36 Ca -0.11 0.50 -0.28 0.00 -2.44 0.00 0.00 57.07 54.74 1wjm s TYR 36 Cb -0.16 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 38.14 1wjm s TYR 36 CO 0.02 -3.08 0.90 0.00 -1.34 0.00 0.00 175.55 172.05 1wjm s VAL 38 N 0.90 0.71 -0.11 0.00 1.01 0.26 -0.65 120.40 122.53 1wjm s VAL 38 Ca 0.48 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1wjm s VAL 38 Cb -0.20 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1wjm s VAL 38 CO 0.25 -0.41 0.19 -0.22 0.00 0.00 0.00 175.10 174.91 1wjm s LEU 39 N 1.74 4.39 -0.25 3.92 2.96 0.34 0.14 118.68 131.92 1wjm s LEU 39 Ca 0.03 0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 54.22 1wjm s LEU 39 Cb -0.17 -2.17 0.12 0.00 0.50 0.00 0.00 46.19 44.47 1wjm s LEU 39 CO -0.16 0.37 1.01 -0.60 -1.32 0.00 0.00 176.35 175.65 1wjm s ARG 40 N -0.92 0.55 -0.95 1.98 6.06 -0.19 -3.03 118.95 122.45 1wjm s ARG 40 Ca 0.16 0.49 0.00 0.00 -2.50 0.00 0.00 55.73 53.88 1wjm s ARG 40 Cb -0.13 0.27 0.00 0.00 0.06 0.00 0.00 34.95 35.15 1wjm s ARG 40 CO 0.05 -0.10 0.00 -2.13 -2.50 0.00 0.00 175.30 170.62 1wjm n ARG 41 N 1.83 -1.88 -2.54 5.12 0.63 -1.26 -0.13 116.66 118.44 1wjm n ARG 41 Ca -0.12 0.53 -0.06 0.00 -0.92 0.00 0.00 57.85 57.28 1wjm n ARG 41 Cb 0.56 -4.95 0.03 0.00 0.45 0.00 0.00 32.46 28.56 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wjm n GLY 42 N -0.51 0.23 3.31 5.14 0.00 -1.26 -4.96 105.19 107.14 1wjm n GLY 42 Ca -0.11 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.39 -0.48 -0.19 1.61 1.04 0.82 -4.07 113.70 109.04 1wjm s SER 43 Ca 0.03 1.00 -0.20 0.00 0.48 0.00 0.00 55.95 57.26 1wjm s SER 43 Cb -0.02 1.05 -0.03 0.00 0.10 0.00 0.00 66.02 67.13 1wjm s SER 43 CO 0.24 -0.21 0.61 -0.22 0.98 0.00 0.00 173.24 174.64 1wjm s LEU 44 N 1.86 4.16 -0.12 2.42 2.96 -1.11 -1.02 118.68 127.84 1wjm s LEU 44 Ca -0.07 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.69 1wjm s LEU 44 Cb -0.09 -2.86 -0.00 0.00 0.50 0.00 0.00 46.19 43.73 1wjm s LEU 44 CO -0.14 -0.24 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.61 1wjm s GLY 45 N 1.15 1.39 -0.05 7.98 0.00 0.36 0.25 107.32 118.40 1wjm s GLY 45 Ca 0.28 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1wjm s GLY 45 CO 0.11 -0.21 0.46 -1.36 0.00 0.00 0.00 173.10 172.10 1wjm s PHE 46 N 0.48 3.63 0.02 1.90 0.08 -1.26 -0.58 117.98 122.25 1wjm s PHE 46 Ca -0.14 0.97 0.01 0.00 0.12 0.00 0.00 56.93 57.89 1wjm s PHE 46 Cb -0.17 -2.45 -0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1wjm s PHE 46 CO 0.05 0.39 -0.04 0.71 -0.10 0.00 0.00 175.22 176.23 1wjm s TYR 47 N -0.20 0.39 0.19 0.36 1.51 -0.70 -2.65 117.35 116.26 1wjm s TYR 47 Ca 0.25 -0.30 -0.25 0.00 -1.01 0.00 0.00 57.07 55.77 1wjm s TYR 47 Cb -0.16 -0.25 0.06 0.00 -0.11 0.00 0.00 41.96 41.50 1wjm s TYR 47 CO 0.12 -0.07 1.52 1.17 -1.11 0.00 0.00 175.55 177.18 1wjm n LYS 48 N 2.21 -0.34 -3.41 -0.62 4.81 -1.26 -0.93 118.16 118.61 1wjm n LYS 48 Ca -0.18 1.50 -0.08 0.00 -0.87 0.00 0.00 58.31 58.68 1wjm n LYS 48 Cb 0.57 -2.21 0.03 0.00 0.02 0.00 0.00 35.03 33.43 1wjm n LYS 48 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1wjm n ASP 49 N -5.32 -2.00 0.32 3.14 5.68 -1.26 -4.10 116.55 113.01 1wjm n ASP 49 Ca 0.05 -2.38 0.19 0.00 -0.50 0.00 0.00 54.79 52.16 1wjm n ASP 49 Cb 0.32 3.33 1.08 0.00 -1.14 0.00 0.00 41.12 44.70 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wjm h ALA 50 N 2.00 1.24 0.00 2.12 0.00 -1.95 0.66 119.26 123.32 1wjm h ALA 50 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wjm h ALA 50 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wjm h ALA 50 CO 0.37 0.00 -0.00 0.87 0.00 0.00 0.00 179.25 180.49 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -1.97 -2.20 116.57 114.19 1wjm h LYS 51 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1wjm h LYS 51 Cb 0.01 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 1wjm h LYS 51 CO 0.00 0.00 -1.96 0.00 -1.08 0.00 0.00 179.45 176.41 1wjm n ALA 52 N -1.93 1.93 0.00 3.86 0.00 0.20 -3.47 120.51 121.11 1wjm n ALA 52 Ca 0.05 -0.88 -0.18 0.00 0.00 0.00 0.00 53.44 52.43 1wjm n ALA 52 Cb 0.48 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 1wjm n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjm h ALA 53 N 1.36 0.16 0.00 0.00 0.00 -0.79 1.54 119.26 121.52 1wjm h ALA 53 Ca -0.29 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 1wjm h ALA 53 Cb 1.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1wjm h ALA 53 CO 0.03 0.51 -0.30 1.03 0.00 0.00 0.00 179.25 180.52 1wjm h SER 54 N 0.21 0.00 0.04 0.00 0.87 -1.57 -1.47 113.55 111.63 1wjm h SER 54 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1wjm h SER 54 Cb 1.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1wjm h SER 54 CO 0.15 0.30 -0.08 0.00 -0.53 0.00 0.00 176.83 176.67 1wjm n ALA 55 N -2.33 2.72 -3.36 6.23 0.00 -1.18 -4.93 120.51 117.66 1wjm n ALA 55 Ca -0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.72 1wjm n ALA 55 Cb 0.41 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.25 -0.50 3.37 0.00 0.00 -0.45 -4.97 105.19 103.89 1wjm n GLY 56 Ca 0.16 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.26 4.24 0.12 1.61 1.01 0.51 -5.00 120.40 119.64 1wjm s VAL 57 Ca 0.47 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1wjm s VAL 57 Cb -0.21 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1wjm s VAL 57 CO 0.58 0.01 1.14 -2.16 0.00 0.00 0.00 175.10 174.67 1wjm s PRO 58 N 1.53 4.52 -0.08 2.72 0.04 -1.26 -4.28 135.00 138.20 1wjm s PRO 58 Ca 0.03 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1wjm s PRO 58 Cb -0.18 -3.31 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 1wjm s PRO 58 CO 0.04 -0.07 2.05 0.98 0.04 0.00 0.00 177.00 180.04 1wjm n TYR 59 N 3.06 2.27 -1.47 0.56 4.19 -1.08 -0.90 117.16 123.78 1wjm n TYR 59 Ca 0.05 -0.21 -0.14 0.00 3.31 0.00 0.00 57.90 60.91 1wjm n TYR 59 Cb 0.46 -2.75 -0.06 0.00 0.49 0.00 0.00 39.34 37.49 1wjm n TYR 59 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1wjm n HIS 60 N 8.86 -0.39 -3.32 2.98 8.25 -1.26 -0.10 115.22 130.24 1wjm n HIS 60 Ca 0.25 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.53 1wjm n HIS 60 Cb 0.39 -2.69 0.06 0.00 1.12 0.00 0.00 29.99 28.87 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 -0.29 -0.20 3.42 -1.41 0.00 -0.08 -4.94 105.19 101.69 1wjm n GLY 61 Ca -0.14 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.92 3.45 1.02 1.61 2.02 0.85 -5.03 118.70 116.71 1wjm s GLU 62 Ca 0.41 -1.66 -0.22 0.00 0.02 0.00 0.00 54.97 53.51 1wjm s GLU 62 Cb -0.18 -4.65 -0.11 0.00 0.10 0.00 0.00 34.13 29.28 1wjm s GLU 62 CO 0.56 -1.68 -0.94 1.33 0.02 0.00 0.00 175.26 174.55 1wjm n VAL 63 N 5.35 0.00 -1.56 2.63 0.24 -1.26 -4.33 118.33 119.40 1wjm n VAL 63 Ca 0.13 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.94 1wjm n VAL 63 Cb 0.47 -0.16 0.08 0.00 -1.47 0.00 0.00 33.84 32.76 1wjm n VAL 63 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wjm s PRO 64 N -2.39 2.38 -0.22 7.34 0.04 -1.26 -4.64 135.00 136.26 1wjm s PRO 64 Ca 0.42 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.15 1wjm s PRO 64 Cb -0.03 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1wjm s PRO 64 CO 0.70 -1.44 0.04 0.14 0.04 0.00 0.00 177.00 176.48 1wjm s VAL 65 N -3.12 4.17 0.15 -0.36 -7.23 0.14 -4.94 120.40 109.22 1wjm s VAL 65 Ca 0.60 -0.23 -0.31 0.00 -1.81 0.00 0.00 61.98 60.23 1wjm s VAL 65 Cb -0.14 -2.92 -0.09 0.00 0.56 0.00 0.00 36.38 33.79 1wjm s VAL 65 CO 0.54 0.39 1.44 -0.44 -0.31 0.00 0.00 175.10 176.73 1wjm s SER 66 N 1.23 6.74 -0.34 4.85 0.01 -1.26 -2.74 113.70 122.19 1wjm s SER 66 Ca 0.04 2.46 0.04 0.00 1.31 0.00 0.00 55.95 59.80 1wjm s SER 66 Cb -0.15 -2.60 0.53 0.00 0.21 0.00 0.00 66.02 64.02 1wjm s SER 66 CO 0.02 -0.70 1.70 0.18 0.41 0.00 0.00 173.24 174.86 1wjm n LEU 67 N 3.63 5.86 -4.59 2.44 4.77 -1.26 -4.82 117.00 123.03 1wjm n LEU 67 Ca 0.11 -3.10 -0.42 0.00 -0.03 0.00 0.00 56.01 52.56 1wjm n LEU 67 Cb 0.41 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1wjm n LEU 67 CO 0.60 0.91 1.11 0.00 -1.33 0.00 0.00 177.39 178.67 1wjm s ALA 68 N -2.56 3.01 -0.49 -1.18 0.00 -1.26 -2.87 121.76 116.41 1wjm s ALA 68 Ca 0.44 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1wjm s ALA 68 Cb 0.37 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1wjm s ALA 68 CO 0.09 -2.57 0.00 0.54 0.00 0.00 0.00 175.76 173.82 1wjm n ARG 69 N 8.29 -0.36 -3.41 0.00 1.74 -1.26 -4.55 116.66 117.11 1wjm n ARG 69 Ca 0.11 0.55 -0.30 0.00 -0.77 0.00 0.00 57.85 57.43 1wjm n ARG 69 Cb 0.49 -4.27 -0.04 0.00 -1.02 0.00 0.00 32.46 27.61 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wjm s ALA 70 N -2.20 3.63 -0.07 7.54 0.00 -1.14 -4.01 121.76 125.51 1wjm s ALA 70 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1wjm s ALA 70 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 1wjm s ALA 70 CO 0.00 0.39 -0.14 -0.65 0.00 0.00 0.00 175.76 175.36 1wjm s GLN 71 N -3.18 2.68 -0.17 0.00 -1.52 0.45 -4.87 119.66 113.04 1wjm s GLN 71 Ca 0.45 -0.70 0.01 0.00 -1.95 0.00 0.00 55.36 53.16 1wjm s GLN 71 Cb -0.11 -2.42 0.03 0.00 -0.22 0.00 0.00 33.01 30.29 1wjm s GLN 71 CO 0.26 0.53 -0.12 0.20 -0.25 0.00 0.00 175.29 175.92 1wjm s GLY 72 N -0.50 1.18 0.10 3.09 0.00 -1.26 -1.15 107.32 108.78 1wjm s GLY 72 Ca 0.07 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1wjm s GLY 72 CO 0.02 0.61 -0.03 -0.56 0.00 0.00 0.00 173.10 173.15 1wjm s SER 73 N 1.45 0.80 0.65 1.64 0.01 -0.26 -4.96 113.70 113.03 1wjm s SER 73 Ca 0.02 -1.06 -0.09 0.00 1.31 0.00 0.00 55.95 56.13 1wjm s SER 73 Cb -0.14 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1wjm s SER 73 CO -0.10 -0.57 1.01 0.68 0.41 0.00 0.00 173.24 174.68 1wjm s VAL 74 N -3.79 3.76 -0.46 3.43 -7.23 -1.26 0.11 120.40 114.96 1wjm s VAL 74 Ca 0.14 0.37 0.09 0.00 -1.81 0.00 0.00 61.98 60.77 1wjm s VAL 74 Cb 0.07 -3.54 0.34 0.00 0.56 0.00 0.00 36.38 33.81 1wjm s VAL 74 CO -0.04 -0.65 0.82 0.00 -0.31 0.00 0.00 175.10 174.92 1wjm n ALA 75 N -2.81 3.20 -0.28 1.32 0.00 0.14 -4.25 120.51 117.83 1wjm n ALA 75 Ca 0.06 -3.98 0.02 0.00 0.00 0.00 0.00 53.44 49.54 1wjm n ALA 75 Cb 0.57 -0.84 0.16 0.00 0.00 0.00 0.00 19.45 19.33 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 3.02 0.82 -0.97 0.00 0.04 -1.97 -1.74 116.94 116.14 1wjm h PHE 76 Ca 0.11 0.03 0.21 0.00 2.80 0.00 0.00 57.97 61.12 1wjm h PHE 76 Cb 0.76 -0.25 -0.18 0.00 2.20 0.00 0.00 35.95 38.48 1wjm h PHE 76 CO 0.63 0.34 -0.19 -0.44 -0.60 0.00 0.00 178.31 178.05 1wjm h ASP 77 N 0.77 -0.81 -0.14 2.17 3.32 -1.94 -3.38 116.42 116.41 1wjm h ASP 77 Ca 0.38 0.29 -0.56 0.00 0.02 0.00 0.00 57.03 57.16 1wjm h ASP 77 Cb 0.34 0.58 -0.07 0.00 0.22 0.00 0.00 39.33 40.40 1wjm h ASP 77 CO -0.24 -0.32 1.64 0.00 -1.72 0.00 0.00 179.24 178.60 1wjm n TYR 78 N -5.59 0.79 -3.18 4.55 9.36 -0.66 -4.80 117.16 117.63 1wjm n TYR 78 Ca 0.17 0.45 -0.45 0.00 3.32 0.00 0.00 57.90 61.39 1wjm n TYR 78 Cb 0.54 -2.38 -0.00 0.00 -0.63 0.00 0.00 39.34 36.87 1wjm n TYR 78 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1wjm s ARG 79 N 8.19 4.16 0.14 2.98 0.52 -1.26 -4.32 118.95 129.36 1wjm s ARG 79 Ca 1.29 -2.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1wjm s ARG 79 Cb -1.23 -4.76 0.00 0.00 0.52 0.00 0.00 34.95 29.47 1wjm s ARG 79 CO 0.51 -1.45 0.00 1.63 0.02 0.00 0.00 175.30 176.01 1wjm n LYS 80 N 3.88 0.00 -3.72 3.54 5.02 -1.26 -5.12 118.16 120.50 1wjm n LYS 80 Ca 0.29 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.22 1wjm n LYS 80 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.34 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wjm s ARG 81 N -1.71 4.02 0.44 1.97 0.52 -1.26 -5.08 118.95 117.84 1wjm s ARG 81 Ca 0.00 -0.11 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 1wjm s ARG 81 Cb 0.00 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 32.02 1wjm s ARG 81 CO 0.00 0.42 0.90 0.15 0.02 0.00 0.00 175.30 176.79 1wjm s LYS 82 N -0.01 4.04 -0.68 3.54 1.02 -1.26 -4.31 119.74 122.08 1wjm s LYS 82 Ca 0.12 0.91 -0.09 0.00 0.02 0.00 0.00 55.97 56.92 1wjm s LYS 82 Cb -0.12 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1wjm s LYS 82 CO 0.01 -0.08 0.64 -2.39 -0.92 0.00 0.00 175.35 172.61 1wjm n HIS 83 N -1.01 -2.62 -4.41 3.18 1.44 -1.26 -4.39 115.22 106.16 1wjm n HIS 83 Ca 0.06 1.05 -0.20 0.00 -2.01 0.00 0.00 57.72 56.62 1wjm n HIS 83 Cb 0.54 -3.14 -0.14 0.00 0.12 0.00 0.00 29.99 27.37 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 -2.66 0.97 0.02 0.61 1.01 -1.26 0.01 120.40 119.09 1wjm s VAL 84 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1wjm s VAL 84 Cb -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1wjm s VAL 84 CO 0.84 0.11 -0.03 0.72 0.00 0.00 0.00 175.10 176.73 1wjm s PHE 85 N -0.58 0.26 0.06 5.22 -0.71 -0.76 -0.68 117.98 120.79 1wjm s PHE 85 Ca 0.02 -0.43 -0.08 0.00 -1.04 0.00 0.00 56.93 55.41 1wjm s PHE 85 Cb -0.06 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.51 1wjm s PHE 85 CO 0.00 -0.14 0.35 0.21 -1.34 0.00 0.00 175.22 174.30 1wjm s LYS 86 N -1.20 3.68 -0.26 1.99 2.20 0.31 -2.31 119.74 124.15 1wjm s LYS 86 Ca -0.12 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.53 1wjm s LYS 86 Cb -0.08 -3.01 0.08 0.00 -1.51 0.00 0.00 37.83 33.31 1wjm s LYS 86 CO -0.01 0.58 0.05 -1.17 -0.36 0.00 0.00 175.35 174.44 1wjm s LEU 87 N -1.95 2.13 -0.35 5.43 2.96 -0.21 -1.10 118.68 125.58 1wjm s LEU 87 Ca 0.32 -1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 52.75 1wjm s LEU 87 Cb -0.13 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 1wjm s LEU 87 CO 0.18 -0.35 0.27 -0.83 -1.32 0.00 0.00 176.35 174.31 1wjm s GLY 88 N 1.61 1.96 1.12 7.98 0.00 -0.30 -0.08 107.32 119.59 1wjm s GLY 88 Ca 0.04 -1.38 -0.19 0.00 0.00 0.00 0.00 44.72 43.19 1wjm s GLY 88 CO -0.16 0.84 1.09 1.04 0.00 0.00 0.00 173.10 175.91 1wjm n LEU 89 N 5.18 0.00 -0.43 0.66 4.77 0.18 -0.41 117.00 126.94 1wjm n LEU 89 Ca -0.12 -1.17 0.14 0.00 -0.03 0.00 0.00 56.01 54.84 1wjm n LEU 89 Cb 0.49 -0.96 0.57 0.00 -2.33 0.00 0.00 43.42 41.19 1wjm n LEU 89 CO 0.38 -1.95 0.89 0.00 -1.33 0.00 0.00 177.39 175.38 1wjm n GLN 90 N -4.45 1.59 -0.51 3.23 10.64 -1.26 -3.41 117.38 123.22 1wjm n GLN 90 Ca 0.15 -0.86 0.08 0.00 -1.83 0.00 0.00 57.00 54.54 1wjm n GLN 90 Cb 0.56 -1.48 0.28 0.00 -0.86 0.00 0.00 30.24 28.74 1wjm n GLN 90 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wjm n ASP 91 N 0.05 4.15 -1.18 2.61 8.00 -1.26 -4.91 116.55 124.01 1wjm n ASP 91 Ca 0.19 -2.99 -0.11 0.00 0.71 0.00 0.00 54.79 52.59 1wjm n ASP 91 Cb 0.32 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wjm n GLY 92 N -0.32 0.17 3.34 0.44 0.00 -1.22 -3.98 105.19 103.62 1wjm n GLY 92 Ca 0.22 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 1wjm n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 93 N -4.24 2.90 -0.20 1.61 2.20 -1.26 -1.68 119.74 119.08 1wjm s LYS 93 Ca 0.00 -1.50 -0.12 0.00 -0.36 0.00 0.00 55.97 53.99 1wjm s LYS 93 Cb 0.00 -4.13 -0.05 0.00 -1.51 0.00 0.00 37.83 32.15 1wjm s LYS 93 CO 0.00 -1.12 0.21 -1.21 -0.36 0.00 0.00 175.35 172.87 1wjm s GLU 94 N 1.58 4.17 0.31 4.03 2.02 -1.18 0.47 118.70 130.11 1wjm s GLU 94 Ca 0.04 -0.11 0.10 0.00 0.02 0.00 0.00 54.97 55.02 1wjm s GLU 94 Cb -0.26 -3.47 -0.06 0.00 0.10 0.00 0.00 34.13 30.44 1wjm s GLU 94 CO 0.04 0.18 -0.13 0.71 0.02 0.00 0.00 175.26 176.08 1wjm s TYR 95 N 0.68 2.33 -0.12 1.61 2.02 0.88 -1.61 117.35 123.14 1wjm s TYR 95 Ca 0.11 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1wjm s TYR 95 Cb -0.13 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1wjm s TYR 95 CO 0.02 0.62 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.05 1wjm s LEU 96 N -3.56 1.14 -0.08 -1.29 1.43 -1.06 -1.04 118.68 114.22 1wjm s LEU 96 Ca 0.31 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1wjm s LEU 96 Cb -0.00 -0.78 -0.00 0.00 0.03 0.00 0.00 46.19 45.44 1wjm s LEU 96 CO 0.16 -0.15 -0.23 -0.36 0.23 0.00 0.00 176.35 176.00 1wjm s PHE 97 N 1.75 2.35 -0.36 0.29 0.08 -0.98 -0.86 117.98 120.26 1wjm s PHE 97 Ca 0.04 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.19 1wjm s PHE 97 Cb -0.13 -1.57 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1wjm s PHE 97 CO -0.08 -0.31 0.14 -1.14 -0.10 0.00 0.00 175.22 173.74 1wjm s GLN 98 N 0.14 2.58 1.09 0.44 0.74 -1.16 -1.83 119.66 121.67 1wjm s GLN 98 Ca -0.11 -1.27 -0.16 0.00 0.05 0.00 0.00 55.36 53.87 1wjm s GLN 98 Cb -0.16 -3.53 0.24 0.00 1.10 0.00 0.00 33.01 30.66 1wjm s GLN 98 CO 0.06 -0.74 1.12 0.00 -0.55 0.00 0.00 175.29 175.18 1wjm s ALA 99 N 1.39 0.94 0.11 1.58 0.00 0.10 -3.54 121.76 122.36 1wjm s ALA 99 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1wjm s ALA 99 Cb -0.20 -2.96 -0.14 0.00 0.00 0.00 0.00 23.12 19.82 1wjm s ALA 99 CO 0.02 -3.15 1.27 1.57 0.00 0.00 0.00 175.76 175.47 1wjm h LYS 100 N -2.20 0.44 0.00 0.00 2.10 -1.83 -3.44 116.57 111.64 1wjm h LYS 100 Ca -0.49 -0.50 -0.14 0.00 -2.00 0.00 0.00 60.65 57.53 1wjm h LYS 100 Cb 1.31 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.76 1wjm h LYS 100 CO 0.45 1.15 0.06 -0.25 -2.00 0.00 0.00 179.45 178.86 1wjm n ASP 101 N -3.74 -1.60 -0.21 7.07 8.00 -1.26 -4.96 116.55 119.86 1wjm n ASP 101 Ca -0.08 -2.52 -0.03 0.00 0.71 0.00 0.00 54.79 52.87 1wjm n ASP 101 Cb 0.86 2.78 0.07 0.00 -0.02 0.00 0.00 41.12 44.82 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wjm h GLU 102 N 0.00 0.63 0.15 -1.24 5.08 -1.92 -1.50 114.58 115.78 1wjm h GLU 102 Ca -0.26 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1wjm h GLU 102 Cb 1.06 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1wjm h GLU 102 CO 0.35 0.42 -0.10 0.00 -1.00 0.00 0.00 179.01 178.67 1wjm h ALA 103 N 1.30 -0.94 -0.92 3.43 0.00 -1.99 0.80 119.26 120.94 1wjm h ALA 103 Ca 0.26 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.38 1wjm h ALA 103 Cb 0.12 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 17.98 1wjm h ALA 103 CO -0.15 -0.93 0.03 -1.91 0.00 0.00 0.00 179.25 176.28 1wjm n GLU 104 N -2.86 -0.07 0.00 0.00 4.07 -1.16 -0.90 120.64 119.72 1wjm n GLU 104 Ca -0.03 1.38 0.00 0.00 -0.06 0.00 0.00 57.16 58.45 1wjm n GLU 104 Cb 0.10 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.29 1wjm n GLU 104 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1wjm n MET 105 N -5.35 0.00 -0.27 5.31 1.56 -0.57 -1.38 117.12 116.41 1wjm n MET 105 Ca 0.22 0.42 0.04 0.00 -0.27 0.00 0.00 57.70 58.11 1wjm n MET 105 Cb 0.72 -1.42 0.10 0.00 2.15 0.00 0.00 33.22 34.77 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 -1.76 -0.29 -0.01 6.12 7.64 0.24 0.21 113.62 125.77 1wjm n SER 106 Ca 0.00 1.29 -0.09 0.00 1.01 0.00 0.00 58.87 61.09 1wjm n SER 106 Cb 0.00 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 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 -0.47 -0.33 6.43 0.02 -0.94 0.64 113.55 118.89 1wjm h SER 107 Ca 0.35 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.47 1wjm h SER 107 Cb 0.54 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 1wjm h SER 107 CO -0.77 -0.19 -0.19 -0.50 -1.14 0.00 0.00 176.83 174.04 1wjm h TRP 108 N -0.17 -0.47 -0.29 3.45 4.06 0.37 1.48 115.95 124.38 1wjm h TRP 108 Ca 0.10 0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.13 1wjm h TRP 108 Cb 0.32 0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.70 1wjm h TRP 108 CO -0.28 -0.26 0.04 -0.07 -3.56 0.00 0.00 178.44 174.31 1wjm h LEU 109 N -0.14 -0.02 -0.80 -4.49 -0.00 0.05 1.82 115.31 111.73 1wjm h LEU 109 Ca 0.17 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1wjm h LEU 109 Cb 0.40 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 1wjm h LEU 109 CO -0.42 0.02 0.52 -0.09 -0.00 0.00 0.00 178.44 178.48 1wjm h ARG 110 N 0.14 1.03 0.49 1.13 2.43 0.21 0.39 114.38 120.20 1wjm h ARG 110 Ca 0.13 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1wjm h ARG 110 Cb 0.15 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1wjm h ARG 110 CO -0.19 0.68 -0.24 0.28 -1.51 0.00 0.00 179.97 178.99 1wjm h VAL 111 N 1.06 0.07 -0.97 0.20 2.07 0.30 0.22 116.25 119.20 1wjm h VAL 111 Ca 0.30 -0.53 0.25 0.00 0.82 0.00 0.00 66.70 67.54 1wjm h VAL 111 Cb -0.09 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 29.66 1wjm h VAL 111 CO -0.07 0.02 0.51 0.58 0.02 0.00 0.00 177.57 178.62 1wjm h VAL 112 N -1.15 0.47 -0.31 2.57 2.07 0.29 0.99 116.25 121.16 1wjm h VAL 112 Ca -0.07 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 1wjm h VAL 112 Cb 0.53 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1wjm h VAL 112 CO 0.11 0.08 -0.44 0.78 0.02 0.00 0.00 177.57 178.13 1wjm h ASN 113 N 0.47 0.86 0.66 0.57 2.35 -0.19 0.10 115.58 120.40 1wjm h ASN 113 Ca 0.63 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1wjm h ASN 113 Cb 1.25 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1wjm h ASN 113 CO -0.52 1.17 0.00 0.00 -1.65 0.00 0.00 177.43 176.43 1wjm h ALA 114 N 0.86 1.00 0.10 -0.83 0.00 0.41 -0.99 119.26 119.81 1wjm h ALA 114 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 1wjm h ALA 114 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1wjm h ALA 114 CO 0.10 0.00 -1.89 0.00 0.00 0.00 0.00 179.25 177.45 1wjm n ALA 115 N -1.96 0.89 0.17 0.00 0.00 0.15 -3.36 120.51 116.39 1wjm n ALA 115 Ca 0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.71 1wjm n ALA 115 Cb 0.22 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.14 0.66 -0.75 0.00 2.04 -0.40 -2.29 117.51 116.62 1wjm h ILE 116 Ca -0.42 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.55 1wjm h ILE 116 Cb 1.90 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 38.55 1wjm h ILE 116 CO 0.02 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.54 1wjm h ALA 117 N 0.32 1.07 0.00 1.87 0.00 -1.38 -2.63 119.26 118.51 1wjm h ALA 117 Ca -0.02 0.07 -0.67 0.00 0.00 0.00 0.00 54.91 54.28 1wjm h ALA 117 Cb 0.34 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wjm h ALA 117 CO 0.02 -0.07 3.77 0.43 0.00 0.00 0.00 179.25 183.40 1wjm n SER 118 N -4.88 8.12 -1.05 0.00 7.64 -0.86 -4.87 113.62 117.72 1wjm n SER 118 Ca 0.13 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1wjm n SER 118 Cb 0.33 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 119 N 3.65 1.52 2.93 0.23 0.00 -0.99 -4.84 105.19 107.69 1wjm n GLY 119 Ca 0.75 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1wjm n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wjm n PRO 120 N -0.40 2.14 -4.58 1.61 -0.04 -1.26 -4.87 135.00 127.59 1wjm n PRO 120 Ca 0.00 -2.21 -0.27 0.00 -0.04 0.00 0.00 63.50 60.99 1wjm n PRO 120 Cb 0.00 -3.10 -0.11 0.00 -0.04 0.00 0.00 33.50 30.26 1wjm n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wjm s SER 121 N 4.17 3.78 0.35 3.54 1.04 -1.26 -5.16 113.70 120.16 1wjm s SER 121 Ca 0.53 -1.30 0.09 0.00 0.48 0.00 0.00 55.95 55.75 1wjm s SER 121 Cb 0.14 -0.37 -0.06 0.00 0.10 0.00 0.00 66.02 65.83 1wjm s SER 121 CO 0.02 -0.35 -0.06 -0.55 0.98 0.00 0.00 173.24 173.28 1wjm s SER 122 N -3.66 3.88 0.00 7.02 0.15 -1.26 -5.13 113.70 114.70 1wjm s SER 122 Ca 0.34 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1wjm s SER 122 Cb 0.07 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1wjm s SER 122 CO 0.17 -0.22 0.03 0.61 1.20 0.00 0.00 173.24 175.03