#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 -0.19 0.39 1.61 0.15 -1.26 -5.18 113.70 109.22 1wjm s SER 2 Ca 0.00 -0.68 0.08 0.00 0.70 0.00 0.00 55.95 56.04 1wjm s SER 2 Cb 0.00 0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1wjm s SER 2 CO 0.00 -1.14 0.19 -0.44 1.20 0.00 0.00 173.24 173.04 1wjm s SER 3 N -2.94 4.57 0.00 5.45 0.01 -1.26 -5.08 113.70 114.45 1wjm s SER 3 Ca 0.15 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1wjm s SER 3 Cb -0.02 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1wjm s SER 3 CO 0.04 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1wjm n GLY 4 N -1.24 -0.64 2.83 3.44 0.00 -1.26 -5.09 105.19 103.23 1wjm n GLY 4 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1wjm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wjm n SER 5 N 0.00 -7.53 0.00 1.61 7.64 -1.26 -5.05 113.62 109.03 1wjm n SER 5 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1wjm n SER 5 Cb 0.00 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.11 1wjm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wjm n SER 6 N -0.78 0.00 0.00 6.43 7.64 -1.26 -5.10 113.62 120.56 1wjm n SER 6 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1wjm n SER 6 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 7 N -0.07 -0.57 3.49 0.23 0.00 -1.26 -5.00 105.19 102.01 1wjm n GLY 7 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.24 3.24 0.10 1.61 2.02 -1.26 -5.02 118.70 118.15 1wjm s GLU 8 Ca 0.00 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1wjm s GLU 8 Cb 0.00 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 1wjm s GLU 8 CO 0.00 -1.59 0.13 -0.65 0.02 0.00 0.00 175.26 173.17 1wjm s GLN 9 N 3.93 3.01 -0.20 1.61 -0.21 -1.26 -4.69 119.66 121.85 1wjm s GLN 9 Ca 0.27 -0.69 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 1wjm s GLN 9 Cb -0.14 -2.77 0.07 0.00 1.00 0.00 0.00 33.01 31.16 1wjm s GLN 9 CO 0.15 0.55 0.47 1.41 -2.12 0.00 0.00 175.29 175.76 1wjm s MET 10 N -2.65 0.45 -0.09 2.91 1.75 -1.20 -5.01 119.30 115.46 1wjm s MET 10 Ca 0.31 0.93 -0.04 0.00 -1.25 0.00 0.00 55.69 55.64 1wjm s MET 10 Cb -0.12 0.08 0.05 0.00 2.84 0.00 0.00 34.83 37.69 1wjm s MET 10 CO 0.24 -0.17 0.19 -1.83 -0.65 0.00 0.00 175.02 172.80 1wjm s GLU 11 N 1.66 0.09 0.02 4.11 -1.05 -1.26 0.04 118.70 122.32 1wjm s GLU 11 Ca -0.08 0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 55.03 1wjm s GLU 11 Cb -0.08 -0.18 0.10 0.00 -0.44 0.00 0.00 34.13 33.52 1wjm s GLU 11 CO -0.14 -0.26 0.87 0.20 0.95 0.00 0.00 175.26 176.87 1wjm s GLY 12 N 2.00 -0.46 0.10 -3.83 0.00 -0.77 -5.01 107.32 99.35 1wjm s GLY 12 Ca -0.01 0.89 -0.32 0.00 0.00 0.00 0.00 44.72 45.28 1wjm s GLY 12 CO -0.07 0.29 1.83 1.03 0.00 0.00 0.00 173.10 176.18 1wjm n MET 13 N -0.28 2.67 -3.89 2.90 2.81 -1.26 -2.26 117.12 117.82 1wjm n MET 13 Ca -0.09 0.97 -0.10 0.00 -1.81 0.00 0.00 57.70 56.67 1wjm n MET 13 Cb 0.62 -2.86 -0.09 0.00 -0.71 0.00 0.00 33.22 30.19 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 2.81 1.58 -0.67 4.03 1.02 -1.13 -4.67 118.68 121.65 1wjm s LEU 14 Ca 0.83 -0.45 -0.16 0.00 0.02 0.00 0.00 54.13 54.37 1wjm s LEU 14 Cb -0.52 0.78 0.15 0.00 0.02 0.00 0.00 46.19 46.62 1wjm s LEU 14 CO 0.39 -0.53 0.68 0.00 0.02 0.00 0.00 176.35 176.91 1wjm s ARG 16 N 1.55 4.03 -0.33 0.00 3.52 -1.02 -3.00 118.95 123.70 1wjm s ARG 16 Ca 0.12 0.58 0.04 0.00 -0.13 0.00 0.00 55.73 56.33 1wjm s ARG 16 Cb -0.21 -3.69 0.10 0.00 -1.56 0.00 0.00 34.95 29.59 1wjm s ARG 16 CO -0.01 -0.55 0.04 0.21 -0.81 0.00 0.00 175.30 174.19 1wjm s LYS 17 N 2.73 1.47 -0.31 5.12 2.20 -0.08 -3.64 119.74 127.22 1wjm s LYS 17 Ca 0.29 -1.78 -0.28 0.00 -0.36 0.00 0.00 55.97 53.84 1wjm s LYS 17 Cb -0.15 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1wjm s LYS 17 CO 0.10 -0.92 1.84 -1.14 -0.36 0.00 0.00 175.35 174.88 1wjm s GLN 18 N 0.97 3.33 -0.14 4.03 0.74 -1.26 -2.50 119.66 124.82 1wjm s GLN 18 Ca 0.09 1.51 -0.13 0.00 0.05 0.00 0.00 55.36 56.88 1wjm s GLN 18 Cb -0.19 -4.21 -0.10 0.00 1.10 0.00 0.00 33.01 29.61 1wjm s GLN 18 CO -0.09 -1.87 0.13 0.93 -0.55 0.00 0.00 175.29 173.85 1wjm h GLU 19 N 13.06 0.00 -6.05 1.67 4.39 -1.55 -3.37 114.58 122.72 1wjm h GLU 19 Ca -0.35 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.78 1wjm h GLU 19 Cb 1.18 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.69 1wjm h GLU 19 CO 1.02 0.40 -0.75 -1.64 -1.16 0.00 0.00 179.01 176.89 1wjm s MET 20 N -2.07 1.62 -0.00 2.33 -1.94 -1.13 -3.21 119.30 114.90 1wjm s MET 20 Ca -0.15 -1.75 0.10 0.00 -1.71 0.00 0.00 55.69 52.18 1wjm s MET 20 Cb 0.01 -1.63 -0.12 0.00 2.01 0.00 0.00 34.83 35.10 1wjm s MET 20 CO 0.33 0.28 0.37 -1.91 -0.01 0.00 0.00 175.02 174.08 1wjm n GLU 21 N -0.59 2.96 0.00 2.03 2.13 -0.70 -3.39 120.64 123.08 1wjm n GLU 21 Ca -0.06 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1wjm n GLU 21 Cb 0.60 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 31.29 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 -1.38 0.00 -1.64 4.31 0.00 -1.04 -4.50 120.51 116.26 1wjm n ALA 22 Ca 0.01 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.87 1wjm n ALA 22 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.32 1.89 -1.30 0.00 3.72 -1.24 0.19 117.46 120.40 1wjm n PHE 23 Ca 0.00 0.60 -0.12 0.00 -0.05 0.00 0.00 57.45 57.88 1wjm n PHE 23 Cb 0.00 -2.43 -0.05 0.00 -0.94 0.00 0.00 39.48 36.06 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 4.77 1.11 3.60 1.37 0.00 -1.26 -4.93 105.19 109.86 1wjm n GLY 24 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.92 3.93 -0.03 1.61 2.47 0.52 -5.07 119.74 120.24 1wjm s LYS 25 Ca 0.00 -0.36 -0.15 0.00 -1.56 0.00 0.00 55.97 53.91 1wjm s LYS 25 Cb 0.00 -3.30 -0.05 0.00 -1.46 0.00 0.00 37.83 33.02 1wjm s LYS 25 CO 0.00 0.14 0.39 -1.59 0.16 0.00 0.00 175.35 174.45 1wjm s LYS 26 N 0.77 3.97 0.20 4.03 0.00 -1.26 -1.72 119.74 125.72 1wjm s LYS 26 Ca 0.04 0.36 -0.30 0.00 0.00 0.00 0.00 55.97 56.08 1wjm s LYS 26 Cb -0.13 -3.26 -0.08 0.00 0.00 0.00 0.00 37.83 34.36 1wjm s LYS 26 CO 0.02 0.60 0.97 0.00 0.00 0.00 0.00 175.35 176.94 1wjm s ALA 27 N -0.76 3.32 0.00 0.59 0.00 -1.20 -4.56 121.76 119.16 1wjm s ALA 27 Ca 0.23 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1wjm s ALA 27 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1wjm s ALA 27 CO 0.12 0.09 0.94 0.00 0.00 0.00 0.00 175.76 176.91 1wjm n ALA 28 N 1.89 -0.00 -3.09 0.00 0.00 -1.26 -4.28 120.51 113.77 1wjm n ALA 28 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1wjm n ALA 28 Cb 0.47 0.47 -0.14 0.00 0.00 0.00 0.00 19.45 20.26 1wjm n ALA 28 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wjm s ASN 29 N -3.00 4.32 -0.58 0.00 -0.87 -1.26 -5.03 114.94 108.52 1wjm s ASN 29 Ca 0.00 -0.27 0.05 0.00 -1.57 0.00 0.00 52.86 51.07 1wjm s ASN 29 Cb 0.00 -1.69 0.35 0.00 -0.02 0.00 0.00 41.25 39.89 1wjm s ASN 29 CO 0.00 0.14 1.01 0.54 -2.57 0.00 0.00 177.10 176.22 1wjm n ARG 30 N 3.68 3.35 -4.12 -0.60 1.74 -1.26 -4.68 116.66 114.77 1wjm n ARG 30 Ca -0.18 -4.81 -0.22 0.00 -0.77 0.00 0.00 57.85 51.87 1wjm n ARG 30 Cb 0.52 -2.25 -0.05 0.00 -1.02 0.00 0.00 32.46 29.66 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wjm s SER 31 N -3.39 5.17 -0.05 0.55 0.01 -1.26 -4.90 113.70 109.82 1wjm s SER 31 Ca 0.49 -0.43 -0.27 0.00 1.31 0.00 0.00 55.95 57.04 1wjm s SER 31 Cb 0.29 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 1wjm s SER 31 CO -0.15 -0.09 0.88 0.26 0.41 0.00 0.00 173.24 174.56 1wjm s TRP 32 N -2.23 3.59 -0.04 2.43 0.52 -1.26 -4.46 118.94 117.49 1wjm s TRP 32 Ca 0.34 1.50 -0.03 0.00 0.02 0.00 0.00 56.10 57.93 1wjm s TRP 32 Cb -0.07 -3.02 0.02 0.00 -1.15 0.00 0.00 33.47 29.24 1wjm s TRP 32 CO 0.24 -0.04 0.09 -0.65 0.02 0.00 0.00 176.95 176.61 1wjm s GLN 33 N 1.21 0.09 -0.48 4.98 -0.21 -1.24 -5.05 119.66 118.96 1wjm s GLN 33 Ca 0.46 0.17 -0.27 0.00 0.02 0.00 0.00 55.36 55.74 1wjm s GLN 33 Cb -0.19 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.77 1wjm s GLN 33 CO 0.22 -0.05 1.88 0.54 -2.12 0.00 0.00 175.29 175.76 1wjm s ASN 34 N 0.35 5.47 -0.12 5.90 4.22 -1.26 -2.43 114.94 127.06 1wjm s ASN 34 Ca -0.03 0.82 0.01 0.00 -2.14 0.00 0.00 52.86 51.52 1wjm s ASN 34 Cb -0.04 -2.53 0.02 0.00 1.28 0.00 0.00 41.25 39.99 1wjm s ASN 34 CO -0.01 -2.13 -0.12 -0.69 -2.04 0.00 0.00 177.10 172.11 1wjm s VAL 35 N 8.40 1.33 -0.32 3.54 1.01 0.24 -4.82 120.40 129.78 1wjm s VAL 35 Ca 0.75 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1wjm s VAL 35 Cb -0.17 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1wjm s VAL 35 CO 0.27 0.42 1.53 -0.47 0.00 0.00 0.00 175.10 176.84 1wjm s TYR 36 N 1.39 2.25 0.08 5.22 5.04 0.16 -2.84 117.35 128.64 1wjm s TYR 36 Ca 0.01 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 55.00 1wjm s TYR 36 Cb -0.13 -4.10 -0.05 0.00 0.35 0.00 0.00 41.96 38.02 1wjm s TYR 36 CO -0.07 -2.41 1.11 0.00 -1.34 0.00 0.00 175.55 172.85 1wjm s VAL 38 N 0.68 1.11 -0.09 0.00 1.01 0.18 -1.85 120.40 121.45 1wjm s VAL 38 Ca 0.54 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1wjm s VAL 38 Cb -0.27 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1wjm s VAL 38 CO 0.30 -0.39 0.31 -0.22 0.00 0.00 0.00 175.10 175.11 1wjm s LEU 39 N 1.54 4.36 -0.25 3.92 2.96 0.11 0.19 118.68 131.51 1wjm s LEU 39 Ca 0.03 0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 54.35 1wjm s LEU 39 Cb -0.18 -2.40 0.15 0.00 0.50 0.00 0.00 46.19 44.26 1wjm s LEU 39 CO -0.14 0.25 1.17 -0.60 -1.32 0.00 0.00 176.35 175.70 1wjm s ARG 40 N -0.43 0.36 -1.42 1.98 6.06 0.06 -3.27 118.95 122.28 1wjm s ARG 40 Ca 0.19 0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.68 1wjm s ARG 40 Cb -0.14 0.17 0.00 0.00 0.06 0.00 0.00 34.95 35.04 1wjm s ARG 40 CO 0.08 -0.08 0.00 -2.13 -2.50 0.00 0.00 175.30 170.67 1wjm n ARG 41 N 1.37 -1.34 -2.13 5.12 0.63 -1.26 0.86 116.66 119.92 1wjm n ARG 41 Ca -0.09 0.79 -0.02 0.00 -0.92 0.00 0.00 57.85 57.61 1wjm n ARG 41 Cb 0.57 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 28.42 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 -0.28 0.38 2.93 5.14 0.00 -1.26 -4.31 105.19 107.79 1wjm n GLY 42 Ca -0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.93 0.96 -0.40 1.61 1.04 0.25 -3.13 113.70 111.09 1wjm s SER 43 Ca 0.01 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 1wjm s SER 43 Cb -0.00 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.75 1wjm s SER 43 CO 0.01 -0.01 0.50 -0.22 0.98 0.00 0.00 173.24 174.50 1wjm s LEU 44 N 0.59 4.63 0.17 2.42 2.96 -0.29 -0.76 118.68 128.39 1wjm s LEU 44 Ca -0.08 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1wjm s LEU 44 Cb -0.11 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1wjm s LEU 44 CO 0.00 -0.59 0.27 -0.83 -1.32 0.00 0.00 176.35 173.88 1wjm s GLY 45 N 1.84 1.63 -0.02 7.98 0.00 0.51 0.34 107.32 119.59 1wjm s GLY 45 Ca 0.16 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.85 1wjm s GLY 45 CO 0.15 -1.11 -0.24 -1.36 0.00 0.00 0.00 173.10 170.54 1wjm s PHE 46 N -1.79 2.40 0.18 1.90 0.08 -1.26 0.50 117.98 119.99 1wjm s PHE 46 Ca 0.34 -0.38 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 1wjm s PHE 46 Cb -0.10 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 1wjm s PHE 46 CO 0.28 0.01 0.32 0.71 -0.10 0.00 0.00 175.22 176.43 1wjm s TYR 47 N -0.64 0.44 0.07 0.36 1.51 -0.63 -3.57 117.35 114.88 1wjm s TYR 47 Ca 0.10 -0.79 -0.37 0.00 -1.01 0.00 0.00 57.07 55.01 1wjm s TYR 47 Cb -0.10 -0.04 -0.20 0.00 -0.11 0.00 0.00 41.96 41.52 1wjm s TYR 47 CO -0.01 -0.77 1.56 -0.22 -1.11 0.00 0.00 175.55 175.01 1wjm h LYS 48 N 2.48 -1.19 0.00 -0.62 3.64 -1.87 0.45 116.57 119.47 1wjm h LYS 48 Ca -0.31 0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 1wjm h LYS 48 Cb 1.24 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1wjm h LYS 48 CO 0.46 -0.80 0.02 -0.40 -2.27 0.00 0.00 179.45 176.46 1wjm n ASP 49 N -5.63 -1.06 0.26 4.20 5.68 -1.26 -3.81 116.55 114.94 1wjm n ASP 49 Ca -0.15 -2.07 0.18 0.00 -0.50 0.00 0.00 54.79 52.24 1wjm n ASP 49 Cb 0.51 1.87 0.84 0.00 -1.14 0.00 0.00 41.12 43.20 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 1.89 1.00 0.00 2.12 0.00 -1.95 0.17 119.26 122.48 1wjm h ALA 50 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wjm h ALA 50 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wjm h ALA 50 CO 0.24 0.00 -0.44 0.87 0.00 0.00 0.00 179.25 179.92 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -1.99 -2.82 116.57 113.54 1wjm h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wjm h LYS 51 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1wjm h LYS 51 CO 0.00 0.00 -1.53 0.00 -1.08 0.00 0.00 179.45 176.84 1wjm n ALA 52 N -2.03 2.69 0.06 3.86 0.00 0.41 -3.35 120.51 122.15 1wjm n ALA 52 Ca 0.03 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 1wjm n ALA 52 Cb 0.51 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 2.01 -0.08 0.00 0.00 0.00 -1.05 1.27 119.26 121.40 1wjm h ALA 53 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1wjm h ALA 53 Cb 1.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wjm h ALA 53 CO 0.00 0.44 -0.35 1.03 0.00 0.00 0.00 179.25 180.37 1wjm h SER 54 N -0.23 0.00 0.25 0.00 0.87 -1.67 -1.55 113.55 111.22 1wjm h SER 54 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1wjm h SER 54 Cb 1.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1wjm h SER 54 CO 0.17 0.35 -0.17 0.00 -0.53 0.00 0.00 176.83 176.65 1wjm n ALA 55 N -2.35 2.90 -2.35 6.23 0.00 -1.21 -4.91 120.51 118.82 1wjm n ALA 55 Ca -0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 1wjm n ALA 55 Cb 0.44 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 1.29 -0.32 3.55 0.00 0.00 -0.58 -4.97 105.19 104.16 1wjm n GLY 56 Ca 0.14 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.85 5.21 0.27 1.61 1.01 0.43 -5.00 120.40 121.09 1wjm s VAL 57 Ca 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1wjm s VAL 57 Cb -0.01 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1wjm s VAL 57 CO 0.02 -0.00 1.08 -2.16 0.00 0.00 0.00 175.10 174.04 1wjm s PRO 58 N 1.93 4.67 0.06 2.72 0.04 -1.26 -4.31 135.00 138.83 1wjm s PRO 58 Ca 0.10 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1wjm s PRO 58 Cb -0.17 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 1wjm s PRO 58 CO 0.11 0.25 1.25 -0.92 0.04 0.00 0.00 177.00 177.73 1wjm h TYR 59 N 3.91 -0.75 0.00 0.56 3.20 -1.84 -3.24 116.97 118.81 1wjm h TYR 59 Ca -0.46 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 1wjm h TYR 59 Cb 1.21 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 1wjm h TYR 59 CO 0.59 -0.24 -0.23 0.72 -1.64 0.00 0.00 178.16 177.36 1wjm n HIS 60 N -3.88 0.00 -0.10 -3.82 8.25 -1.26 -4.85 115.22 109.56 1wjm n HIS 60 Ca -0.02 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 1wjm n HIS 60 Cb 0.17 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.10 2.46 3.33 -1.41 0.00 -1.22 -5.00 105.19 102.25 1wjm n GLY 61 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1wjm n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wjm n GLU 62 N -2.00 -0.27 -3.46 1.61 4.71 -1.26 -4.99 120.64 114.98 1wjm n GLU 62 Ca 0.00 -0.05 -0.20 0.00 -0.01 0.00 0.00 57.16 56.91 1wjm n GLU 62 Cb 0.00 -1.68 -0.02 0.00 -1.01 0.00 0.00 31.44 28.74 1wjm n GLU 62 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1wjm s VAL 63 N -2.31 3.01 0.23 2.62 -7.23 -1.26 -4.85 120.40 110.60 1wjm s VAL 63 Ca 0.53 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 1wjm s VAL 63 Cb -0.20 -3.06 -0.09 0.00 0.56 0.00 0.00 36.38 33.59 1wjm s VAL 63 CO 0.71 -0.04 1.10 -2.16 -0.31 0.00 0.00 175.10 174.39 1wjm s PRO 64 N -4.17 4.62 0.03 4.82 0.04 -1.26 -4.67 135.00 134.42 1wjm s PRO 64 Ca 0.48 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 1wjm s PRO 64 Cb -0.06 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1wjm s PRO 64 CO 0.29 0.15 0.84 0.14 0.04 0.00 0.00 177.00 178.46 1wjm s VAL 65 N -0.71 4.78 -0.00 -0.36 -7.23 0.15 -4.79 120.40 112.24 1wjm s VAL 65 Ca 0.47 1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 62.11 1wjm s VAL 65 Cb -0.31 -4.19 -0.04 0.00 0.56 0.00 0.00 36.38 32.40 1wjm s VAL 65 CO 0.38 0.29 1.19 -0.94 -0.31 0.00 0.00 175.10 175.71 1wjm s SER 66 N 0.36 7.08 -0.29 4.85 1.04 -1.26 -1.14 113.70 124.34 1wjm s SER 66 Ca 0.43 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.78 1wjm s SER 66 Cb -0.21 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.76 1wjm s SER 66 CO 0.24 -0.52 1.59 0.18 0.98 0.00 0.00 173.24 175.72 1wjm n LEU 67 N 4.59 5.41 -4.62 2.42 4.77 -1.18 -4.78 117.00 123.60 1wjm n LEU 67 Ca 0.10 -2.86 -0.43 0.00 -0.03 0.00 0.00 56.01 52.79 1wjm n LEU 67 Cb 0.46 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1wjm n LEU 67 CO 0.55 0.86 1.06 0.00 -1.33 0.00 0.00 177.39 178.53 1wjm s ALA 68 N -2.09 3.34 -1.47 -1.18 0.00 -1.26 -2.91 121.76 116.19 1wjm s ALA 68 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1wjm s ALA 68 Cb 0.30 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1wjm s ALA 68 CO 0.07 -1.82 0.00 0.54 0.00 0.00 0.00 175.76 174.55 1wjm n ARG 69 N 7.33 -1.01 -2.03 0.00 1.74 -1.26 -4.33 116.66 117.09 1wjm n ARG 69 Ca 0.13 0.96 -0.28 0.00 -0.77 0.00 0.00 57.85 57.89 1wjm n ARG 69 Cb 0.47 -5.09 0.07 0.00 -1.02 0.00 0.00 32.46 26.90 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 -2.55 2.90 -0.04 7.54 0.00 -1.15 -4.09 121.76 124.37 1wjm s ALA 70 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1wjm s ALA 70 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 1wjm s ALA 70 CO 0.00 -1.42 -0.17 1.14 0.00 0.00 0.00 175.76 175.30 1wjm s GLN 71 N -5.40 1.79 -0.22 0.00 -2.07 0.21 -4.94 119.66 109.03 1wjm s GLN 71 Ca 0.60 -0.62 -0.01 0.00 -1.82 0.00 0.00 55.36 53.51 1wjm s GLN 71 Cb -0.11 -1.56 0.06 0.00 -1.09 0.00 0.00 33.01 30.31 1wjm s GLN 71 CO 0.48 0.26 -0.00 0.20 -1.32 0.00 0.00 175.29 174.90 1wjm s GLY 72 N 0.00 1.02 0.10 2.60 0.00 -1.26 -0.70 107.32 109.08 1wjm s GLY 72 Ca -0.03 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1wjm s GLY 72 CO 0.02 1.20 -0.05 -0.56 0.00 0.00 0.00 173.10 173.72 1wjm s SER 73 N 1.61 1.02 0.75 1.64 0.01 -0.60 -4.99 113.70 113.15 1wjm s SER 73 Ca -0.02 -1.03 -0.12 0.00 1.31 0.00 0.00 55.95 56.09 1wjm s SER 73 Cb -0.18 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.22 1wjm s SER 73 CO -0.08 -0.51 1.10 -0.69 0.41 0.00 0.00 173.24 173.47 1wjm s VAL 74 N -3.69 3.19 -0.79 3.43 1.01 -1.26 0.13 120.40 122.42 1wjm s VAL 74 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1wjm s VAL 74 Cb 0.06 -2.89 0.36 0.00 0.00 0.00 0.00 36.38 33.90 1wjm s VAL 74 CO -0.04 -0.46 1.70 0.00 0.00 0.00 0.00 175.10 176.30 1wjm n ALA 75 N -3.28 5.96 -0.37 5.51 0.00 0.39 -4.25 120.51 124.48 1wjm n ALA 75 Ca 0.10 -4.34 0.29 0.00 0.00 0.00 0.00 53.44 49.49 1wjm n ALA 75 Cb 0.53 -1.64 0.55 0.00 0.00 0.00 0.00 19.45 18.88 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 3.21 0.75 -0.46 0.00 0.04 -1.93 0.77 116.94 119.33 1wjm h PHE 76 Ca 0.47 0.03 0.08 0.00 2.80 0.00 0.00 57.97 61.35 1wjm h PHE 76 Cb 0.31 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 1wjm h PHE 76 CO 1.12 -0.19 0.08 -0.44 -0.60 0.00 0.00 178.31 178.29 1wjm h ASP 77 N 0.22 -0.01 -2.34 2.17 5.19 -1.94 -3.39 116.42 116.33 1wjm h ASP 77 Ca 0.76 0.08 -0.56 0.00 -0.62 0.00 0.00 57.03 56.69 1wjm h ASP 77 Cb 2.00 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 41.63 1wjm h ASP 77 CO -0.52 0.03 1.30 -0.47 -3.12 0.00 0.00 179.24 176.46 1wjm s TYR 78 N -6.15 1.46 -0.05 4.55 6.14 0.27 -4.81 117.35 118.75 1wjm s TYR 78 Ca -0.13 0.19 0.13 0.00 0.64 0.00 0.00 57.07 57.90 1wjm s TYR 78 Cb 0.15 -4.06 -0.20 0.00 0.42 0.00 0.00 41.96 38.27 1wjm s TYR 78 CO 0.72 -4.30 0.22 2.89 0.64 0.00 0.00 175.55 175.73 1wjm n ARG 79 N 8.04 0.89 0.01 4.97 0.00 -1.26 -4.66 116.66 124.65 1wjm n ARG 79 Ca 0.23 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.85 57.97 1wjm n ARG 79 Cb 0.44 -1.33 -0.02 0.00 -0.00 0.00 0.00 32.46 31.55 1wjm n ARG 79 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1wjm h LYS 80 N 0.00 -0.10 -6.26 2.89 1.79 -1.97 -3.42 116.57 109.50 1wjm h LYS 80 Ca -0.11 0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 57.83 1wjm h LYS 80 Cb 1.01 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1wjm h LYS 80 CO 0.01 -0.07 -0.31 1.03 -1.08 0.00 0.00 179.45 179.03 1wjm s ARG 81 N -3.45 3.53 0.07 3.15 3.00 -1.26 -5.10 118.95 118.89 1wjm s ARG 81 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 55.73 55.39 1wjm s ARG 81 Cb 0.01 -2.81 -0.04 0.00 0.00 0.00 0.00 34.95 32.11 1wjm s ARG 81 CO 0.10 0.37 0.23 0.15 0.00 0.00 0.00 175.30 176.15 1wjm s LYS 82 N -3.39 3.46 -0.80 3.54 1.02 -1.26 -4.59 119.74 117.72 1wjm s LYS 82 Ca 0.39 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1wjm s LYS 82 Cb -0.11 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1wjm s LYS 82 CO 0.29 0.59 0.72 0.72 -0.92 0.00 0.00 175.35 176.76 1wjm n HIS 83 N 0.24 -2.83 -4.20 3.18 8.25 -1.26 -4.61 115.22 114.01 1wjm n HIS 83 Ca -0.05 1.06 -0.23 0.00 -0.26 0.00 0.00 57.72 58.25 1wjm n HIS 83 Cb 0.51 -4.01 -0.17 0.00 1.12 0.00 0.00 29.99 27.45 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wjm s VAL 84 N -3.06 0.77 0.02 1.59 1.01 -1.26 -1.03 120.40 118.43 1wjm s VAL 84 Ca 0.07 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1wjm s VAL 84 Cb -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1wjm s VAL 84 CO 0.76 0.29 -0.23 0.72 0.00 0.00 0.00 175.10 176.64 1wjm s PHE 85 N 1.10 2.01 0.25 5.22 -0.71 -1.01 0.15 117.98 124.99 1wjm s PHE 85 Ca -0.08 -0.38 -0.12 0.00 -1.04 0.00 0.00 56.93 55.31 1wjm s PHE 85 Cb -0.14 -1.24 -0.08 0.00 -1.21 0.00 0.00 43.02 40.35 1wjm s PHE 85 CO -0.01 0.05 0.61 0.21 -1.34 0.00 0.00 175.22 174.74 1wjm s LYS 86 N -0.91 3.88 -0.31 1.99 2.20 0.36 -2.60 119.74 124.35 1wjm s LYS 86 Ca 0.09 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1wjm s LYS 86 Cb -0.09 -2.61 0.10 0.00 -1.51 0.00 0.00 37.83 33.73 1wjm s LYS 86 CO 0.01 0.28 0.12 -1.17 -0.36 0.00 0.00 175.35 174.22 1wjm s LEU 87 N -2.79 1.81 -0.35 5.43 2.96 0.32 -1.56 118.68 124.50 1wjm s LEU 87 Ca 0.49 -1.62 -0.14 0.00 -0.22 0.00 0.00 54.13 52.63 1wjm s LEU 87 Cb -0.11 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1wjm s LEU 87 CO 0.20 -0.41 0.32 -0.83 -1.32 0.00 0.00 176.35 174.31 1wjm s GLY 88 N 1.66 1.93 0.88 7.98 0.00 0.12 -0.56 107.32 119.33 1wjm s GLY 88 Ca 0.10 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 1wjm s GLY 88 CO -0.26 0.92 1.16 1.08 0.00 0.00 0.00 173.10 175.99 1wjm s LEU 89 N 1.90 2.19 0.26 0.66 1.43 0.51 0.65 118.68 126.29 1wjm s LEU 89 Ca 0.09 0.88 0.25 0.00 -1.03 0.00 0.00 54.13 54.33 1wjm s LEU 89 Cb -0.17 -3.26 0.89 0.00 0.03 0.00 0.00 46.19 43.68 1wjm s LEU 89 CO 0.11 -2.33 1.75 0.06 0.23 0.00 0.00 176.35 176.18 1wjm h GLN 90 N -1.35 0.00 -0.40 1.70 3.07 -1.76 -2.47 115.11 113.91 1wjm h GLN 90 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1wjm h GLN 90 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1wjm h GLN 90 CO 0.63 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.30 1wjm n ASP 91 N -2.35 1.98 -0.33 0.06 8.00 -1.26 -4.85 116.55 117.80 1wjm n ASP 91 Ca 0.04 -2.06 -0.04 0.00 0.71 0.00 0.00 54.79 53.44 1wjm n ASP 91 Cb 0.35 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.94 0.54 3.56 0.44 0.00 -0.93 -3.59 105.19 106.15 1wjm n GLY 92 Ca 0.11 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.85 3.59 -0.20 1.61 1.02 -1.24 -2.49 119.74 119.18 1wjm s LYS 93 Ca 0.00 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 1wjm s LYS 93 Cb 0.00 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 1wjm s LYS 93 CO 0.00 -0.72 0.02 -2.00 -0.92 0.00 0.00 175.35 171.73 1wjm s GLU 94 N 2.54 3.70 0.22 1.68 2.12 -1.22 0.19 118.70 127.93 1wjm s GLU 94 Ca 0.21 -0.48 0.09 0.00 0.36 0.00 0.00 54.97 55.15 1wjm s GLU 94 Cb -0.15 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1wjm s GLU 94 CO 0.14 0.04 -0.16 0.71 -0.54 0.00 0.00 175.26 175.46 1wjm s TYR 95 N 0.95 1.86 -0.12 5.30 2.02 0.28 -1.36 117.35 126.28 1wjm s TYR 95 Ca 0.02 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1wjm s TYR 95 Cb -0.14 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1wjm s TYR 95 CO 0.02 0.45 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.89 1wjm s LEU 96 N -3.37 1.17 -0.11 -1.29 1.43 -1.04 -0.52 118.68 114.96 1wjm s LEU 96 Ca 0.24 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1wjm s LEU 96 Cb -0.02 -0.78 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 1wjm s LEU 96 CO 0.09 -0.15 -0.22 -0.36 0.23 0.00 0.00 176.35 175.93 1wjm s PHE 97 N 1.74 2.60 -0.40 0.29 0.08 -1.07 -0.90 117.98 120.32 1wjm s PHE 97 Ca 0.04 -1.01 -0.14 0.00 0.12 0.00 0.00 56.93 55.95 1wjm s PHE 97 Cb -0.13 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1wjm s PHE 97 CO -0.08 -0.40 0.27 -1.14 -0.10 0.00 0.00 175.22 173.77 1wjm s GLN 98 N 0.36 2.91 1.08 0.44 0.74 -1.16 -2.41 119.66 121.62 1wjm s GLN 98 Ca -0.17 -1.05 -0.16 0.00 0.05 0.00 0.00 55.36 54.03 1wjm s GLN 98 Cb -0.18 -3.90 0.23 0.00 1.10 0.00 0.00 33.01 30.27 1wjm s GLN 98 CO 0.08 -0.74 1.12 0.00 -0.55 0.00 0.00 175.29 175.21 1wjm s ALA 99 N 1.64 0.98 -0.14 1.58 0.00 -0.20 -3.64 121.76 121.97 1wjm s ALA 99 Ca 0.04 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 51.44 1wjm s ALA 99 Cb -0.19 -2.97 0.17 0.00 0.00 0.00 0.00 23.12 20.13 1wjm s ALA 99 CO 0.09 -3.10 1.50 1.57 0.00 0.00 0.00 175.76 175.82 1wjm h LYS 100 N -2.15 0.00 0.00 0.00 2.10 -1.86 -3.46 116.57 111.20 1wjm h LYS 100 Ca -0.49 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.30 1wjm h LYS 100 Cb 1.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 1wjm h LYS 100 CO 0.46 0.44 0.42 -0.25 -2.00 0.00 0.00 179.45 178.53 1wjm n ASP 101 N -3.24 -0.94 -0.17 7.07 8.00 -1.26 -5.00 116.55 121.01 1wjm n ASP 101 Ca 0.02 -1.41 -0.03 0.00 0.71 0.00 0.00 54.79 54.07 1wjm n ASP 101 Cb 0.69 1.51 0.06 0.00 -0.02 0.00 0.00 41.12 43.36 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 0.40 0.00 -1.24 5.08 -1.93 -0.61 114.58 116.28 1wjm h GLU 102 Ca -0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1wjm h GLU 102 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wjm h GLU 102 CO 0.21 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 1wjm n ALA 103 N -2.39 -0.33 -0.32 3.43 0.00 -1.26 0.81 120.51 120.45 1wjm n ALA 103 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.67 1wjm n ALA 103 Cb 0.18 0.11 0.34 0.00 0.00 0.00 0.00 19.45 20.09 1wjm n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wjm n GLU 104 N -2.01 -0.07 0.09 0.00 4.07 -1.17 0.31 120.64 121.85 1wjm n GLU 104 Ca 0.00 1.38 -0.03 0.00 -0.06 0.00 0.00 57.16 58.45 1wjm n GLU 104 Cb 0.00 -2.26 -0.02 0.00 -0.06 0.00 0.00 31.44 29.11 1wjm n GLU 104 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1wjm h MET 105 N 0.00 -0.21 -0.93 5.31 4.05 -0.65 -1.08 114.93 121.42 1wjm h MET 105 Ca 0.62 0.01 0.26 0.00 -0.28 0.00 0.00 59.70 60.32 1wjm h MET 105 Cb 1.40 0.05 -0.16 0.00 -0.80 0.00 0.00 31.60 32.08 1wjm h MET 105 CO -0.85 -0.14 0.14 0.77 0.23 0.00 0.00 176.91 177.06 1wjm h SER 106 N -0.26 -0.24 0.04 1.39 0.02 0.20 0.51 113.55 115.21 1wjm h SER 106 Ca -0.02 0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1wjm h SER 106 Cb 0.17 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1wjm h SER 106 CO 0.04 -0.28 -0.17 0.28 -1.14 0.00 0.00 176.83 175.56 1wjm h SER 107 N 0.08 -0.49 -0.05 3.07 0.02 -0.11 0.18 113.55 116.26 1wjm h SER 107 Ca 0.59 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.61 1wjm h SER 107 Cb 1.23 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 1wjm h SER 107 CO -0.80 -0.24 -0.14 -0.50 -1.14 0.00 0.00 176.83 174.02 1wjm h TRP 108 N -0.30 -0.42 -0.98 3.45 4.06 0.13 0.84 115.95 122.74 1wjm h TRP 108 Ca 0.04 0.02 0.19 0.00 2.06 0.00 0.00 58.89 61.20 1wjm h TRP 108 Cb 0.35 0.19 -0.18 0.00 -1.00 0.00 0.00 29.16 28.52 1wjm h TRP 108 CO -0.20 -0.14 -0.27 -0.07 -3.56 0.00 0.00 178.44 174.20 1wjm h LEU 109 N -0.14 -1.00 -0.82 -4.49 -0.00 -1.12 2.37 115.31 110.11 1wjm h LEU 109 Ca 0.01 0.30 0.06 0.00 -0.00 0.00 0.00 57.88 58.25 1wjm h LEU 109 Cb 0.17 0.63 -0.06 0.00 -0.00 0.00 0.00 40.66 41.40 1wjm h LEU 109 CO -0.12 -0.32 0.50 -0.09 -0.00 0.00 0.00 178.44 178.42 1wjm h ARG 110 N -0.00 0.89 0.36 1.13 2.43 0.76 0.56 114.38 120.51 1wjm h ARG 110 Ca 0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1wjm h ARG 110 Cb 0.70 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1wjm h ARG 110 CO -1.01 0.59 -0.17 0.28 -1.51 0.00 0.00 179.97 178.15 1wjm h VAL 111 N 0.92 0.00 -1.06 0.20 2.07 0.94 -0.64 116.25 118.67 1wjm h VAL 111 Ca 0.36 -0.63 0.31 0.00 0.82 0.00 0.00 66.70 67.56 1wjm h VAL 111 Cb 0.17 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.82 1wjm h VAL 111 CO -0.17 0.00 0.65 0.58 0.02 0.00 0.00 177.57 178.64 1wjm h VAL 112 N -1.11 0.38 -0.23 2.57 2.07 0.33 1.59 116.25 121.85 1wjm h VAL 112 Ca -0.05 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1wjm h VAL 112 Cb 0.37 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1wjm h VAL 112 CO 0.08 0.06 -0.53 0.78 0.02 0.00 0.00 177.57 177.98 1wjm h ASN 113 N 0.35 0.73 0.72 0.57 2.35 0.13 0.15 115.58 120.59 1wjm h ASN 113 Ca 0.69 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1wjm h ASN 113 Cb 1.69 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.85 1wjm h ASN 113 CO -0.47 1.13 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 1wjm h ALA 114 N 0.89 1.00 0.05 -0.83 0.00 0.37 -1.86 119.26 118.88 1wjm h ALA 114 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.58 1wjm h ALA 114 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wjm h ALA 114 CO 0.11 0.00 -1.95 0.00 0.00 0.00 0.00 179.25 177.41 1wjm n ALA 115 N -1.84 1.00 0.30 0.00 0.00 0.92 -3.50 120.51 117.39 1wjm n ALA 115 Ca 0.02 -0.73 -0.18 0.00 0.00 0.00 0.00 53.44 52.55 1wjm n ALA 115 Cb 0.23 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.43 0.03 -0.01 0.00 2.04 -0.49 0.46 117.51 119.11 1wjm h ILE 116 Ca -0.47 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1wjm h ILE 116 Cb 1.73 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1wjm h ILE 116 CO -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.65 1wjm h ALA 117 N -0.85 -0.81 -0.64 1.87 0.00 -1.56 -2.16 119.26 115.10 1wjm h ALA 117 Ca -0.06 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1wjm h ALA 117 Cb 0.87 0.84 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1wjm h ALA 117 CO -0.05 -0.93 -0.45 0.77 0.00 0.00 0.00 179.25 178.59 1wjm h SER 118 N -0.47 -1.55 -4.33 0.00 0.02 -1.56 -3.48 113.55 102.17 1wjm h SER 118 Ca 0.01 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1wjm h SER 118 Cb 0.51 0.71 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1wjm h SER 118 CO -0.26 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 175.71 1wjm n GLY 119 N -1.40 -1.09 3.05 -3.77 0.00 0.16 -4.66 105.19 97.47 1wjm n GLY 119 Ca 0.02 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.49 2.20 -2.81 1.61 -0.04 -1.26 -4.74 135.00 129.47 1wjm n PRO 120 Ca 0.00 -2.33 -0.30 0.00 -0.04 0.00 0.00 63.50 60.83 1wjm n PRO 120 Cb 0.00 -3.19 -0.03 0.00 -0.04 0.00 0.00 33.50 30.24 1wjm n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wjm s SER 121 N 4.37 6.47 0.21 3.54 0.15 -1.26 -5.00 113.70 122.17 1wjm s SER 121 Ca 0.54 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.28 1wjm s SER 121 Cb 0.12 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1wjm s SER 121 CO 0.04 -0.43 0.00 -1.20 1.20 0.00 0.00 173.24 172.84 1wjm n SER 122 N -1.48 0.20 0.00 5.45 7.64 -1.26 -5.04 113.62 119.12 1wjm n SER 122 Ca 0.02 0.35 0.01 0.00 1.01 0.00 0.00 58.87 60.26 1wjm n SER 122 Cb 0.54 0.17 0.07 0.00 -1.01 0.00 0.00 64.21 63.98 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64