#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 2.31 -0.30 1.61 0.15 -1.26 -5.10 113.70 111.12 1wjm s SER 2 Ca 0.00 -1.63 -0.11 0.00 0.70 0.00 0.00 55.95 54.91 1wjm s SER 2 Cb 0.00 0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.48 1wjm s SER 2 CO 0.00 -0.33 0.67 -0.94 1.20 0.00 0.00 173.24 173.84 1wjm s SER 3 N 1.55 -1.10 0.00 5.45 1.04 -1.26 -5.15 113.70 114.23 1wjm s SER 3 Ca 0.15 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1wjm s SER 3 Cb -0.18 2.16 0.00 0.00 0.10 0.00 0.00 66.02 68.10 1wjm s SER 3 CO -0.12 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1wjm n GLY 4 N 5.27 2.31 3.34 7.32 0.00 -1.26 -5.18 105.19 116.99 1wjm n GLY 4 Ca -0.13 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 2.00 -0.42 0.52 1.61 0.01 -1.26 -5.12 113.70 111.04 1wjm s SER 5 Ca 0.00 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1wjm s SER 5 Cb 0.00 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1wjm s SER 5 CO 0.00 -0.26 0.00 -0.24 0.41 0.00 0.00 173.24 173.15 1wjm n SER 6 N 2.32 -7.44 -0.56 2.44 2.88 -1.26 -5.05 113.62 106.96 1wjm n SER 6 Ca -0.16 1.65 0.00 0.00 -1.33 0.00 0.00 58.87 59.03 1wjm n SER 6 Cb 0.57 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wjm n GLY 7 N -2.46 5.44 3.41 0.46 0.00 -1.26 -5.08 105.19 105.69 1wjm n GLY 7 Ca 0.00 -2.08 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 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 0.57 3.07 -0.02 1.61 0.41 -1.26 -4.98 118.70 118.10 1wjm s GLU 8 Ca 0.00 -1.12 -0.09 0.00 -0.41 0.00 0.00 54.97 53.35 1wjm s GLU 8 Cb 0.00 -4.16 -0.05 0.00 -1.78 0.00 0.00 34.13 28.14 1wjm s GLU 8 CO 0.00 -1.30 0.27 -0.65 -0.49 0.00 0.00 175.26 173.09 1wjm s GLN 9 N 2.48 3.62 -0.02 1.61 -0.21 -1.26 -4.59 119.66 121.29 1wjm s GLN 9 Ca 0.12 0.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.52 1wjm s GLN 9 Cb -0.22 -3.13 0.02 0.00 1.00 0.00 0.00 33.01 30.69 1wjm s GLN 9 CO 0.09 0.68 0.04 1.41 -2.12 0.00 0.00 175.29 175.40 1wjm s MET 10 N -1.45 -0.00 -0.14 2.91 1.75 -0.97 -4.98 119.30 116.43 1wjm s MET 10 Ca 0.24 0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.80 1wjm s MET 10 Cb -0.14 -0.16 0.06 0.00 2.84 0.00 0.00 34.83 37.43 1wjm s MET 10 CO 0.13 -0.12 0.29 -1.83 -0.65 0.00 0.00 175.02 172.83 1wjm s GLU 11 N 0.78 0.19 -0.01 4.11 -1.05 -1.26 0.18 118.70 121.65 1wjm s GLU 11 Ca -0.06 0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 55.21 1wjm s GLU 11 Cb -0.09 -0.01 0.10 0.00 -0.44 0.00 0.00 34.13 33.70 1wjm s GLU 11 CO -0.03 -0.25 0.93 0.20 0.95 0.00 0.00 175.26 177.07 1wjm s GLY 12 N 2.16 -0.43 0.13 -3.83 0.00 -0.69 -5.01 107.32 99.65 1wjm s GLY 12 Ca -0.02 0.98 -0.32 0.00 0.00 0.00 0.00 44.72 45.36 1wjm s GLY 12 CO -0.09 0.32 1.81 1.03 0.00 0.00 0.00 173.10 176.16 1wjm n MET 13 N -0.26 2.71 -3.87 2.90 2.81 -1.26 -2.22 117.12 117.94 1wjm n MET 13 Ca -0.08 0.98 -0.10 0.00 -1.81 0.00 0.00 57.70 56.70 1wjm n MET 13 Cb 0.61 -2.86 -0.08 0.00 -0.71 0.00 0.00 33.22 30.18 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 2.46 1.48 -0.66 4.03 1.02 -1.09 -4.74 118.68 121.18 1wjm s LEU 14 Ca 0.81 -0.49 -0.16 0.00 0.02 0.00 0.00 54.13 54.31 1wjm s LEU 14 Cb -0.51 0.90 0.16 0.00 0.02 0.00 0.00 46.19 46.76 1wjm s LEU 14 CO 0.37 -0.60 0.63 0.00 0.02 0.00 0.00 176.35 176.78 1wjm s ARG 16 N 1.23 4.20 -0.28 0.00 3.52 -0.86 -2.99 118.95 123.78 1wjm s ARG 16 Ca 0.10 0.70 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 1wjm s ARG 16 Cb -0.22 -3.60 0.08 0.00 -1.56 0.00 0.00 34.95 29.65 1wjm s ARG 16 CO -0.01 -0.31 -0.01 0.21 -0.81 0.00 0.00 175.30 174.36 1wjm s LYS 17 N 2.15 1.56 -0.27 5.12 2.20 -0.57 -3.29 119.74 126.63 1wjm s LYS 17 Ca 0.30 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 1wjm s LYS 17 Cb -0.16 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1wjm s LYS 17 CO 0.10 -0.74 1.77 -1.14 -0.36 0.00 0.00 175.35 174.98 1wjm s GLN 18 N 1.25 3.50 -0.15 4.03 0.74 -1.26 -2.60 119.66 125.17 1wjm s GLN 18 Ca 0.00 1.58 -0.11 0.00 0.05 0.00 0.00 55.36 56.88 1wjm s GLN 18 Cb -0.19 -4.15 -0.04 0.00 1.10 0.00 0.00 33.01 29.73 1wjm s GLN 18 CO -0.09 -1.66 -0.19 0.39 -0.55 0.00 0.00 175.29 173.20 1wjm n GLU 19 N 8.17 0.47 -4.40 1.67 -0.58 -0.99 -4.32 120.64 120.66 1wjm n GLU 19 Ca 0.22 0.48 -0.26 0.00 -0.42 0.00 0.00 57.16 57.18 1wjm n GLU 19 Cb 0.46 -1.66 -0.11 0.00 -0.57 0.00 0.00 31.44 29.57 1wjm n GLU 19 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1wjm s MET 20 N -2.35 1.71 -0.01 3.49 -1.94 -1.19 -1.97 119.30 117.05 1wjm s MET 20 Ca -0.18 -1.53 0.07 0.00 -1.71 0.00 0.00 55.69 52.34 1wjm s MET 20 Cb 0.03 -1.91 -0.10 0.00 2.01 0.00 0.00 34.83 34.86 1wjm s MET 20 CO 0.27 0.39 0.22 -1.91 -0.01 0.00 0.00 175.02 173.98 1wjm n GLU 21 N -0.07 2.12 -3.61 2.03 2.13 -0.85 -3.12 120.64 119.27 1wjm n GLU 21 Ca -0.10 -0.04 -0.04 0.00 0.66 0.00 0.00 57.16 57.64 1wjm n GLU 21 Cb 0.57 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 31.23 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 -2.15 -2.08 -0.57 4.31 0.00 -0.68 -4.43 121.76 116.16 1wjm s ALA 22 Ca -0.00 1.69 -0.41 0.00 0.00 0.00 0.00 51.96 53.24 1wjm s ALA 22 Cb 0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 23.12 22.51 1wjm s ALA 22 CO 0.30 -0.50 2.24 1.19 0.00 0.00 0.00 175.76 178.99 1wjm n PHE 23 N 0.11 1.11 0.00 0.00 3.72 -1.24 0.18 117.46 121.33 1wjm n PHE 23 Ca -0.00 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 1wjm n PHE 23 Cb 0.58 -2.33 0.00 0.00 -0.94 0.00 0.00 39.48 36.79 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 7.22 1.97 3.68 1.37 0.00 -1.26 -4.97 105.19 113.21 1wjm n GLY 24 Ca 0.55 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 4.20 -0.06 1.61 2.36 0.47 -4.98 119.74 123.34 1wjm s LYS 25 Ca 0.00 2.30 -0.11 0.00 -2.55 0.00 0.00 55.97 55.61 1wjm s LYS 25 Cb 0.00 -3.69 -0.05 0.00 -1.05 0.00 0.00 37.83 33.05 1wjm s LYS 25 CO 0.00 -0.75 0.28 -1.59 1.55 0.00 0.00 175.35 174.83 1wjm s LYS 26 N 2.93 3.68 0.16 4.03 0.00 -1.26 -2.01 119.74 127.27 1wjm s LYS 26 Ca 0.74 0.14 -0.31 0.00 0.00 0.00 0.00 55.97 56.54 1wjm s LYS 26 Cb -0.38 -3.21 -0.10 0.00 0.00 0.00 0.00 37.83 34.14 1wjm s LYS 26 CO 0.32 0.73 1.53 0.00 0.00 0.00 0.00 175.35 177.93 1wjm s ALA 27 N -1.04 3.74 0.05 0.59 0.00 -0.83 -4.66 121.76 119.60 1wjm s ALA 27 Ca 0.19 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 1wjm s ALA 27 Cb -0.14 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1wjm s ALA 27 CO 0.09 -0.75 1.17 0.00 0.00 0.00 0.00 175.76 176.27 1wjm h ALA 28 N 6.73 -0.20 -3.10 0.00 0.00 -1.93 -3.36 119.26 117.41 1wjm h ALA 28 Ca -0.43 0.03 -0.63 0.00 0.00 0.00 0.00 54.91 53.88 1wjm h ALA 28 Cb 1.21 1.09 -0.19 0.00 0.00 0.00 0.00 17.79 19.89 1wjm h ALA 28 CO 0.90 -0.32 -0.59 1.21 0.00 0.00 0.00 179.25 180.44 1wjm s ASN 29 N -3.74 5.38 -0.74 0.00 2.47 -1.26 -5.03 114.94 112.02 1wjm s ASN 29 Ca -0.04 -0.07 0.04 0.00 0.42 0.00 0.00 52.86 53.21 1wjm s ASN 29 Cb 0.03 -1.95 0.22 0.00 -1.45 0.00 0.00 41.25 38.11 1wjm s ASN 29 CO 0.19 0.06 0.73 0.54 -3.72 0.00 0.00 177.10 174.91 1wjm n ARG 30 N 4.28 2.49 -4.61 0.43 1.74 -1.26 -4.76 116.66 114.97 1wjm n ARG 30 Ca -0.16 -4.58 -0.28 0.00 -0.77 0.00 0.00 57.85 52.06 1wjm n ARG 30 Cb 0.52 -2.32 -0.11 0.00 -1.02 0.00 0.00 32.46 29.53 1wjm n ARG 30 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wjm s SER 31 N -1.71 3.84 -0.10 0.55 0.15 -1.26 -5.00 113.70 110.17 1wjm s SER 31 Ca 0.32 -1.35 -0.12 0.00 0.70 0.00 0.00 55.95 55.50 1wjm s SER 31 Cb 0.04 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 1wjm s SER 31 CO -0.07 -0.42 0.29 0.26 1.20 0.00 0.00 173.24 174.50 1wjm s TRP 32 N -2.71 3.58 -0.10 3.44 0.52 -1.26 -4.20 118.94 118.21 1wjm s TRP 32 Ca 0.35 0.70 -0.07 0.00 0.02 0.00 0.00 56.10 57.09 1wjm s TRP 32 Cb 0.09 -2.22 0.03 0.00 -1.15 0.00 0.00 33.47 30.22 1wjm s TRP 32 CO 0.18 0.49 0.26 -0.65 0.02 0.00 0.00 176.95 177.25 1wjm s GLN 33 N -0.39 0.26 -0.50 4.98 -0.21 -1.21 -5.04 119.66 117.56 1wjm s GLN 33 Ca 0.18 0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.73 1wjm s GLN 33 Cb -0.14 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 33.89 1wjm s GLN 33 CO 0.07 -0.09 1.83 -0.80 -2.12 0.00 0.00 175.29 174.18 1wjm s ASN 34 N 0.61 5.52 -0.10 5.90 -0.87 -1.26 -2.02 114.94 122.73 1wjm s ASN 34 Ca -0.04 0.73 0.02 0.00 -1.57 0.00 0.00 52.86 52.00 1wjm s ASN 34 Cb -0.05 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 1wjm s ASN 34 CO -0.04 -2.10 -0.16 -0.69 -2.57 0.00 0.00 177.10 171.54 1wjm s VAL 35 N 8.19 1.53 -0.36 1.60 1.01 0.69 -4.84 120.40 128.23 1wjm s VAL 35 Ca 0.72 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1wjm s VAL 35 Cb -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1wjm s VAL 35 CO 0.26 0.44 1.45 -0.47 0.00 0.00 0.00 175.10 176.79 1wjm s TYR 36 N 0.79 2.36 0.04 5.22 5.04 0.52 -2.69 117.35 128.64 1wjm s TYR 36 Ca -0.11 0.69 -0.30 0.00 -2.44 0.00 0.00 57.07 54.91 1wjm s TYR 36 Cb -0.16 -4.18 -0.05 0.00 0.35 0.00 0.00 41.96 37.93 1wjm s TYR 36 CO 0.01 -2.13 1.12 0.00 -1.34 0.00 0.00 175.55 173.21 1wjm s VAL 38 N 1.07 1.39 -0.03 0.00 1.01 0.18 -1.70 120.40 122.32 1wjm s VAL 38 Ca 0.56 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1wjm s VAL 38 Cb -0.26 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1wjm s VAL 38 CO 0.29 -0.40 0.14 -0.22 0.00 0.00 0.00 175.10 174.90 1wjm s LEU 39 N 1.40 4.20 0.00 3.92 0.20 0.47 0.20 118.68 129.08 1wjm s LEU 39 Ca 0.03 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.15 1wjm s LEU 39 Cb -0.18 -2.38 0.00 0.00 -0.43 0.00 0.00 46.19 43.20 1wjm s LEU 39 CO -0.13 0.30 0.00 -1.14 -0.29 0.00 0.00 176.35 175.09 1wjm n ARG 40 N 1.25 0.29 -1.05 1.98 3.00 -0.75 -2.28 116.66 119.10 1wjm n ARG 40 Ca -0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.30 1wjm n ARG 40 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.91 1wjm n ARG 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wjm n ARG 41 N 0.00 0.97 -2.12 -0.14 1.74 -1.26 -3.42 116.66 112.42 1wjm n ARG 41 Ca 0.00 -1.63 -0.04 0.00 -0.77 0.00 0.00 57.85 55.42 1wjm n ARG 41 Cb 0.00 -2.91 0.02 0.00 -1.02 0.00 0.00 32.46 28.55 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 4.87 0.34 3.68 -0.13 0.00 -1.26 -4.95 105.19 107.75 1wjm n GLY 42 Ca 0.48 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.21 -0.38 -0.29 1.61 1.04 -1.22 -4.10 113.70 107.16 1wjm s SER 43 Ca 0.05 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1wjm s SER 43 Cb -0.01 0.67 0.15 0.00 0.10 0.00 0.00 66.02 66.94 1wjm s SER 43 CO 0.17 -1.19 0.38 -0.22 0.98 0.00 0.00 173.24 173.36 1wjm s LEU 44 N -2.85 -0.66 0.22 2.42 2.96 -0.97 -1.80 118.68 117.98 1wjm s LEU 44 Ca 0.07 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1wjm s LEU 44 Cb -0.04 0.98 -0.04 0.00 0.50 0.00 0.00 46.19 47.59 1wjm s LEU 44 CO -0.01 -0.36 0.38 -0.83 -1.32 0.00 0.00 176.35 174.21 1wjm s GLY 45 N 2.50 1.61 -0.06 7.98 0.00 0.54 -0.27 107.32 119.62 1wjm s GLY 45 Ca 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1wjm s GLY 45 CO -0.30 -0.93 -0.15 -1.36 0.00 0.00 0.00 173.10 170.35 1wjm s PHE 46 N -1.92 2.68 0.07 1.90 0.08 -1.26 0.50 117.98 120.02 1wjm s PHE 46 Ca 0.37 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 57.07 1wjm s PHE 46 Cb -0.10 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1wjm s PHE 46 CO 0.30 0.10 0.19 0.71 -0.10 0.00 0.00 175.22 176.43 1wjm s TYR 47 N -0.56 0.11 0.02 0.36 1.51 -0.41 -3.39 117.35 114.98 1wjm s TYR 47 Ca 0.08 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1wjm s TYR 47 Cb -0.11 -0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.67 1wjm s TYR 47 CO 0.01 -0.49 1.08 -0.22 -1.11 0.00 0.00 175.55 174.82 1wjm h LYS 48 N 3.07 -0.08 0.00 -0.62 1.63 -1.87 1.53 116.57 120.23 1wjm h LYS 48 Ca -0.33 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.35 1wjm h LYS 48 Cb 1.20 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.81 1wjm h LYS 48 CO 0.53 -0.05 -0.06 -0.25 -3.45 0.00 0.00 179.45 176.16 1wjm n ASP 49 N -2.96 -0.65 0.05 4.20 8.00 -1.26 -3.23 116.55 120.69 1wjm n ASP 49 Ca -0.01 -1.88 0.06 0.00 0.71 0.00 0.00 54.79 53.68 1wjm n ASP 49 Cb 0.05 1.20 0.29 0.00 -0.02 0.00 0.00 41.12 42.64 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wjm n ALA 50 N -1.93 1.37 0.07 2.24 0.00 -1.26 -0.97 120.51 120.03 1wjm n ALA 50 Ca -0.06 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1wjm n ALA 50 Cb 0.27 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 0.08 0.16 0.00 1.79 -1.99 -3.08 116.57 113.53 1wjm h LYS 51 Ca 0.00 -0.14 -0.31 0.00 -2.18 0.00 0.00 60.65 58.02 1wjm h LYS 51 Cb 0.16 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1wjm h LYS 51 CO 0.00 1.06 -1.57 0.00 -1.08 0.00 0.00 179.45 177.87 1wjm h ALA 52 N 0.88 0.15 -0.45 3.86 0.00 -1.36 -3.16 119.26 119.17 1wjm h ALA 52 Ca -0.05 -1.10 0.09 0.00 0.00 0.00 0.00 54.91 53.86 1wjm h ALA 52 Cb 1.83 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 19.98 1wjm h ALA 52 CO 0.15 0.91 -0.22 0.00 0.00 0.00 0.00 179.25 180.09 1wjm h ALA 53 N 0.04 0.11 0.00 0.00 0.00 -1.27 0.84 119.26 118.98 1wjm h ALA 53 Ca -0.32 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wjm h ALA 53 Cb 1.94 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 20.25 1wjm h ALA 53 CO 0.13 -0.57 -0.13 1.03 0.00 0.00 0.00 179.25 179.71 1wjm h SER 54 N -0.12 0.00 -0.47 0.00 0.87 -1.67 0.11 113.55 112.27 1wjm h SER 54 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1wjm h SER 54 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1wjm h SER 54 CO -0.53 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 175.91 1wjm n ALA 55 N -2.37 2.58 -3.68 6.23 0.00 0.24 -4.90 120.51 118.61 1wjm n ALA 55 Ca -0.02 -0.91 -0.26 0.00 0.00 0.00 0.00 53.44 52.25 1wjm n ALA 55 Cb 0.23 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 1.13 -0.45 3.53 0.00 0.00 0.19 -4.88 105.19 104.71 1wjm n GLY 56 Ca 0.16 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.83 4.90 0.14 1.61 1.01 -0.11 -5.00 120.40 120.12 1wjm s VAL 57 Ca 0.50 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1wjm s VAL 57 Cb -0.28 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1wjm s VAL 57 CO 0.61 0.28 1.13 -2.16 0.00 0.00 0.00 175.10 174.96 1wjm s PRO 58 N 1.70 4.53 0.06 2.72 0.04 -1.26 -4.42 135.00 138.37 1wjm s PRO 58 Ca 0.07 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1wjm s PRO 58 Cb -0.16 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1wjm s PRO 58 CO 0.08 -0.04 1.24 -0.92 0.04 0.00 0.00 177.00 177.40 1wjm h TYR 59 N 5.66 -0.75 -0.96 0.56 3.20 -1.86 -3.13 116.97 119.68 1wjm h TYR 59 Ca -0.43 0.03 -0.54 0.00 3.14 0.00 0.00 58.73 60.93 1wjm h TYR 59 Cb 1.21 0.35 -0.42 0.00 1.54 0.00 0.00 36.73 39.40 1wjm h TYR 59 CO 0.64 -0.23 -0.82 0.72 -1.64 0.00 0.00 178.16 176.83 1wjm n HIS 60 N -3.88 2.83 -1.89 -3.82 8.25 -1.26 -4.88 115.22 110.57 1wjm n HIS 60 Ca -0.02 -2.49 -0.12 0.00 -0.26 0.00 0.00 57.72 54.82 1wjm n HIS 60 Cb 0.16 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.62 0.35 3.77 -1.41 0.00 -1.19 -4.90 105.19 101.19 1wjm n GLY 61 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.02 4.37 0.84 1.61 2.02 -1.26 -5.06 118.70 117.20 1wjm s GLU 62 Ca 0.00 0.87 -0.12 0.00 0.02 0.00 0.00 54.97 55.74 1wjm s GLU 62 Cb 0.00 -3.32 0.10 0.00 0.10 0.00 0.00 34.13 31.01 1wjm s GLU 62 CO 0.00 0.42 1.19 0.14 0.02 0.00 0.00 175.26 177.03 1wjm s VAL 63 N -0.44 2.00 0.68 2.63 -7.23 -1.26 -4.62 120.40 112.16 1wjm s VAL 63 Ca 0.33 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.39 1wjm s VAL 63 Cb -0.20 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.78 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 -5.57 3.00 -0.22 4.82 0.04 -1.26 -4.65 135.00 131.16 1wjm s PRO 64 Ca 0.63 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 1wjm s PRO 64 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1wjm s PRO 64 CO 0.50 -1.05 0.07 0.14 0.04 0.00 0.00 177.00 176.71 1wjm s VAL 65 N -2.97 4.56 0.07 -0.36 -7.23 0.62 -4.86 120.40 110.23 1wjm s VAL 65 Ca 0.59 -0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 60.35 1wjm s VAL 65 Cb -0.14 -3.10 -0.07 0.00 0.56 0.00 0.00 36.38 33.62 1wjm s VAL 65 CO 0.53 0.38 1.46 -0.44 -0.31 0.00 0.00 175.10 176.72 1wjm s SER 66 N 1.12 6.77 -0.35 4.85 0.01 -1.26 -2.30 113.70 122.53 1wjm s SER 66 Ca 0.04 2.31 -0.02 0.00 1.31 0.00 0.00 55.95 59.60 1wjm s SER 66 Cb -0.14 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.66 1wjm s SER 66 CO 0.03 -0.74 2.31 0.18 0.41 0.00 0.00 173.24 175.44 1wjm n LEU 67 N 4.79 6.42 -4.61 2.44 4.77 -1.26 -4.78 117.00 124.76 1wjm n LEU 67 Ca 0.13 -3.53 -0.41 0.00 -0.03 0.00 0.00 56.01 52.17 1wjm n LEU 67 Cb 0.42 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1wjm n LEU 67 CO 0.60 1.40 0.50 0.00 -1.33 0.00 0.00 177.39 178.55 1wjm s ALA 68 N -1.67 3.56 -1.62 -1.18 0.00 -1.26 -3.64 121.76 115.95 1wjm s ALA 68 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1wjm s ALA 68 Cb 0.29 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1wjm s ALA 68 CO -0.07 -1.06 0.00 0.54 0.00 0.00 0.00 175.76 175.17 1wjm n ARG 69 N 5.99 -1.12 -2.84 0.00 1.74 -1.26 -4.20 116.66 114.96 1wjm n ARG 69 Ca 0.02 1.01 -0.23 0.00 -0.77 0.00 0.00 57.85 57.88 1wjm n ARG 69 Cb 0.48 -5.21 0.02 0.00 -1.02 0.00 0.00 32.46 26.73 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 -2.62 3.72 0.03 7.54 0.00 -1.24 -4.28 121.76 124.92 1wjm s ALA 70 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1wjm s ALA 70 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1wjm s ALA 70 CO 0.00 -0.50 -0.04 -0.65 0.00 0.00 0.00 175.76 174.56 1wjm s GLN 71 N -4.65 0.38 -0.08 0.00 -1.52 -0.27 -4.94 119.66 108.57 1wjm s GLN 71 Ca 0.51 -0.67 -0.01 0.00 -1.95 0.00 0.00 55.36 53.23 1wjm s GLN 71 Cb -0.10 -0.00 0.03 0.00 -0.22 0.00 0.00 33.01 32.71 1wjm s GLN 71 CO 0.39 -0.02 -0.03 0.20 -0.25 0.00 0.00 175.29 175.58 1wjm s GLY 72 N -1.55 0.60 0.10 3.09 0.00 -1.26 -1.49 107.32 106.81 1wjm s GLY 72 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1wjm s GLY 72 CO -0.01 0.97 -0.02 -0.45 0.00 0.00 0.00 173.10 173.59 1wjm s SER 73 N 1.79 0.79 0.87 1.64 0.15 -0.17 -4.99 113.70 113.79 1wjm s SER 73 Ca 0.04 -1.06 -0.10 0.00 0.70 0.00 0.00 55.95 55.52 1wjm s SER 73 Cb -0.13 0.17 0.11 0.00 -1.71 0.00 0.00 66.02 64.47 1wjm s SER 73 CO -0.06 -0.57 1.11 -0.69 1.20 0.00 0.00 173.24 174.23 1wjm s VAL 74 N -3.80 2.63 -0.61 4.45 1.01 -1.26 0.20 120.40 123.02 1wjm s VAL 74 Ca 0.14 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1wjm s VAL 74 Cb 0.07 -2.46 0.38 0.00 0.00 0.00 0.00 36.38 34.37 1wjm s VAL 74 CO -0.04 -0.27 1.37 0.00 0.00 0.00 0.00 175.10 176.17 1wjm n ALA 75 N -3.95 5.46 -0.24 5.51 0.00 0.41 -4.07 120.51 123.65 1wjm n ALA 75 Ca 0.10 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.19 1wjm n ALA 75 Cb 0.53 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 2.87 -0.36 -0.98 0.00 0.04 -1.93 0.13 116.94 116.70 1wjm h PHE 76 Ca 0.36 0.06 0.19 0.00 2.80 0.00 0.00 57.97 61.38 1wjm h PHE 76 Cb 0.58 0.27 -0.18 0.00 2.20 0.00 0.00 35.95 38.82 1wjm h PHE 76 CO 0.95 -0.30 -0.27 0.22 -0.60 0.00 0.00 178.31 178.32 1wjm h ASP 77 N 0.00 -1.00 -1.49 2.17 1.82 -1.95 -3.38 116.42 112.58 1wjm h ASP 77 Ca 0.33 0.30 -0.75 0.00 -0.39 0.00 0.00 57.03 56.52 1wjm h ASP 77 Cb 0.50 0.63 0.01 0.00 0.68 0.00 0.00 39.33 41.16 1wjm h ASP 77 CO -0.71 -0.32 0.90 0.00 -1.61 0.00 0.00 179.24 177.51 1wjm n TYR 78 N -5.60 2.03 -3.77 0.28 9.36 0.45 -4.89 117.16 115.02 1wjm n TYR 78 Ca 0.15 0.57 -0.28 0.00 3.32 0.00 0.00 57.90 61.66 1wjm n TYR 78 Cb 0.48 -2.45 -0.11 0.00 -0.63 0.00 0.00 39.34 36.63 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 5.38 2.07 0.22 2.98 0.00 -1.26 -4.72 116.66 121.32 1wjm n ARG 79 Ca 0.27 -4.54 0.00 0.00 -0.00 0.00 0.00 57.85 53.58 1wjm n ARG 79 Cb 0.12 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.28 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 1.70 0.00 -3.57 -0.14 4.76 -1.26 -5.15 118.16 114.50 1wjm n LYS 80 Ca 0.22 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.44 1wjm n LYS 80 Cb 0.36 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.54 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wjm s ARG 81 N -2.00 2.44 0.18 1.97 3.00 -1.26 -5.14 118.95 118.14 1wjm s ARG 81 Ca 0.00 -1.67 0.10 0.00 0.00 0.00 0.00 55.73 54.16 1wjm s ARG 81 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 34.95 32.56 1wjm s ARG 81 CO 0.00 -0.39 -0.14 0.15 0.00 0.00 0.00 175.30 174.92 1wjm s LYS 82 N -4.24 1.89 -1.05 3.54 1.02 -1.26 -4.74 119.74 114.90 1wjm s LYS 82 Ca 0.46 -1.33 -0.07 0.00 0.02 0.00 0.00 55.97 55.06 1wjm s LYS 82 Cb -0.03 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 1wjm s LYS 82 CO 0.28 0.43 0.91 0.72 -0.92 0.00 0.00 175.35 176.76 1wjm n HIS 83 N 0.17 -2.44 -4.81 3.18 -0.00 -1.26 -4.51 115.22 105.55 1wjm n HIS 83 Ca -0.12 0.83 -0.28 0.00 -0.00 0.00 0.00 57.72 58.16 1wjm n HIS 83 Cb 0.55 -4.08 -0.17 0.00 -0.00 0.00 0.00 29.99 26.30 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1wjm s VAL 84 N -3.39 1.55 0.02 1.59 1.01 -1.26 -0.20 120.40 119.73 1wjm s VAL 84 Ca 0.45 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1wjm s VAL 84 Cb -0.07 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1wjm s VAL 84 CO 0.75 0.45 -0.16 0.72 0.00 0.00 0.00 175.10 176.86 1wjm s PHE 85 N 0.59 1.40 0.08 5.22 -0.71 -1.05 0.16 117.98 123.66 1wjm s PHE 85 Ca -0.15 -0.32 -0.17 0.00 -1.04 0.00 0.00 56.93 55.25 1wjm s PHE 85 Cb -0.17 -0.85 -0.07 0.00 -1.21 0.00 0.00 43.02 40.73 1wjm s PHE 85 CO 0.05 0.03 0.52 0.21 -1.34 0.00 0.00 175.22 174.69 1wjm s LYS 86 N -0.88 4.06 -0.35 1.99 2.20 0.53 -2.63 119.74 124.66 1wjm s LYS 86 Ca 0.04 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1wjm s LYS 86 Cb -0.07 -3.14 0.10 0.00 -1.51 0.00 0.00 37.83 33.21 1wjm s LYS 86 CO 0.01 0.60 0.09 -1.17 -0.36 0.00 0.00 175.35 174.52 1wjm s LEU 87 N -1.38 3.68 -0.36 5.43 2.96 0.26 -1.00 118.68 128.28 1wjm s LEU 87 Ca 0.31 -2.05 -0.17 0.00 -0.22 0.00 0.00 54.13 51.99 1wjm s LEU 87 Cb -0.17 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 1wjm s LEU 87 CO 0.18 -0.38 0.48 -0.83 -1.32 0.00 0.00 176.35 174.48 1wjm s GLY 88 N 1.06 1.84 0.00 7.98 0.00 -0.55 -0.69 107.32 116.95 1wjm s GLY 88 Ca 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1wjm s GLY 88 CO -0.13 1.21 0.00 1.04 0.00 0.00 0.00 173.10 175.21 1wjm n LEU 89 N 5.67 0.00 0.04 0.66 4.77 0.36 -1.12 117.00 127.37 1wjm n LEU 89 Ca -0.06 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.03 1wjm n LEU 89 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1wjm n LEU 89 CO 0.44 -0.80 -0.23 0.00 -1.33 0.00 0.00 177.39 175.47 1wjm n GLN 90 N -1.24 0.48 -1.03 3.23 10.64 -1.26 -4.01 117.38 124.20 1wjm n GLN 90 Ca 0.00 -0.03 -0.21 0.00 -1.83 0.00 0.00 57.00 54.93 1wjm n GLN 90 Cb 0.00 -1.64 0.13 0.00 -0.86 0.00 0.00 30.24 27.87 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 -2.25 4.35 -2.46 2.61 2.03 -1.26 -4.83 116.55 114.74 1wjm n ASP 91 Ca -0.00 -3.34 -0.20 0.00 0.52 0.00 0.00 54.79 51.76 1wjm n ASP 91 Cb 0.51 -0.82 -0.01 0.00 -0.72 0.00 0.00 41.12 40.08 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 -0.75 -0.50 3.39 0.27 0.00 -1.26 -3.89 105.19 102.46 1wjm n GLY 92 Ca 0.49 0.01 -0.44 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.11 2.96 -0.13 1.61 2.20 -1.26 -1.68 119.74 118.33 1wjm s LYS 93 Ca 0.03 -1.30 -0.06 0.00 -0.36 0.00 0.00 55.97 54.28 1wjm s LYS 93 Cb -0.01 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1wjm s LYS 93 CO 0.04 -0.98 0.10 -1.21 -0.36 0.00 0.00 175.35 172.94 1wjm s GLU 94 N 1.64 3.47 0.14 4.03 2.02 -1.18 0.13 118.70 128.95 1wjm s GLU 94 Ca 0.04 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 54.85 1wjm s GLU 94 Cb -0.23 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1wjm s GLU 94 CO 0.07 0.67 -0.07 0.71 0.02 0.00 0.00 175.26 176.66 1wjm s TYR 95 N -0.75 1.19 -0.19 1.61 2.02 0.13 -2.33 117.35 119.04 1wjm s TYR 95 Ca 0.13 -0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 55.98 1wjm s TYR 95 Cb -0.12 -0.64 0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1wjm s TYR 95 CO 0.03 -0.01 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.48 1wjm s LEU 96 N -3.15 1.54 -0.16 -1.29 1.43 -1.07 -0.57 118.68 115.41 1wjm s LEU 96 Ca 0.17 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1wjm s LEU 96 Cb 0.04 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1wjm s LEU 96 CO 0.00 -0.25 -0.13 -0.36 0.23 0.00 0.00 176.35 175.84 1wjm s PHE 97 N 1.71 2.82 -0.38 0.29 0.08 -1.08 -1.51 117.98 119.91 1wjm s PHE 97 Ca -0.01 -0.92 -0.15 0.00 0.12 0.00 0.00 56.93 55.97 1wjm s PHE 97 Cb -0.17 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1wjm s PHE 97 CO -0.07 -0.41 0.30 -1.14 -0.10 0.00 0.00 175.22 173.79 1wjm s GLN 98 N 0.80 3.21 1.13 0.44 0.74 -1.16 -2.54 119.66 122.28 1wjm s GLN 98 Ca -0.05 -0.82 -0.19 0.00 0.05 0.00 0.00 55.36 54.36 1wjm s GLN 98 Cb -0.15 -3.91 0.27 0.00 1.10 0.00 0.00 33.01 30.32 1wjm s GLN 98 CO 0.01 -0.64 1.19 0.00 -0.55 0.00 0.00 175.29 175.30 1wjm s ALA 99 N 1.77 1.14 0.00 1.58 0.00 0.72 -3.61 121.76 123.36 1wjm s ALA 99 Ca 0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1wjm s ALA 99 Cb -0.18 -2.83 -0.27 0.00 0.00 0.00 0.00 23.12 19.84 1wjm s ALA 99 CO 0.11 -3.25 0.84 1.57 0.00 0.00 0.00 175.76 175.02 1wjm h LYS 100 N -2.31 0.21 -3.60 0.00 2.10 -1.85 -3.46 116.57 107.66 1wjm h LYS 100 Ca -0.44 -0.36 -0.16 0.00 -2.00 0.00 0.00 60.65 57.69 1wjm h LYS 100 Cb 1.27 0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 32.69 1wjm h LYS 100 CO 0.33 1.05 0.03 -0.51 -2.00 0.00 0.00 179.45 178.35 1wjm s ASP 101 N -6.88 0.51 0.26 7.07 1.01 -1.26 -5.00 116.67 112.38 1wjm s ASP 101 Ca -0.09 -1.33 -0.03 0.00 0.71 0.00 0.00 52.55 51.81 1wjm s ASP 101 Cb 0.07 0.75 0.38 0.00 1.01 0.00 0.00 42.92 45.14 1wjm s ASP 101 CO 0.84 -1.48 1.89 -0.33 0.21 0.00 0.00 175.17 176.30 1wjm h GLU 102 N 2.05 1.17 0.38 8.23 5.08 -1.94 -1.56 114.58 127.99 1wjm h GLU 102 Ca -0.30 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1wjm h GLU 102 Cb 1.24 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1wjm h GLU 102 CO 0.39 0.77 -0.18 0.00 -1.00 0.00 0.00 179.01 178.99 1wjm h ALA 103 N 1.44 -1.13 -0.99 3.43 0.00 -1.98 0.25 119.26 120.28 1wjm h ALA 103 Ca 0.42 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.44 1wjm h ALA 103 Cb 0.12 0.20 -0.19 0.00 0.00 0.00 0.00 17.79 17.92 1wjm h ALA 103 CO -0.16 -1.10 -0.19 1.49 0.00 0.00 0.00 179.25 179.29 1wjm h GLU 104 N -0.51 0.00 0.00 0.00 4.57 -1.92 0.11 114.58 116.83 1wjm h GLU 104 Ca -0.05 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1wjm h GLU 104 Cb 0.39 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1wjm h GLU 104 CO 0.08 0.00 0.00 -0.12 -1.18 0.00 0.00 179.01 177.79 1wjm n MET 105 N -5.60 0.00 -0.25 1.92 1.56 -0.60 -1.00 117.12 113.15 1wjm n MET 105 Ca 0.17 0.43 0.07 0.00 -0.27 0.00 0.00 57.70 58.11 1wjm n MET 105 Cb 0.55 -1.40 0.15 0.00 2.15 0.00 0.00 33.22 34.67 1wjm n MET 105 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1wjm n SER 106 N -1.80 -0.18 0.28 6.12 3.41 0.88 0.17 113.62 122.50 1wjm n SER 106 Ca 0.00 1.21 -0.16 0.00 -0.26 0.00 0.00 58.87 59.66 1wjm n SER 106 Cb 0.00 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 1wjm n SER 106 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wjm h SER 107 N 0.00 -0.69 -0.74 4.04 0.02 -0.73 0.16 113.55 115.60 1wjm h SER 107 Ca 0.38 0.04 0.14 0.00 -0.84 0.00 0.00 61.79 61.51 1wjm h SER 107 Cb 0.68 0.20 -0.14 0.00 0.14 0.00 0.00 62.40 63.28 1wjm h SER 107 CO -0.70 -0.45 -0.24 -0.50 -1.14 0.00 0.00 176.83 173.80 1wjm h TRP 108 N -0.72 -0.59 -0.08 3.45 4.06 0.35 1.77 115.95 124.20 1wjm h TRP 108 Ca -0.06 0.07 0.03 0.00 2.06 0.00 0.00 58.89 60.99 1wjm h TRP 108 Cb 0.58 0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 1wjm h TRP 108 CO -0.08 -0.35 -0.08 -0.07 -3.56 0.00 0.00 178.44 174.29 1wjm h LEU 109 N -0.04 -0.26 -0.81 -4.49 -0.00 -0.54 1.76 115.31 110.93 1wjm h LEU 109 Ca 0.33 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 58.31 1wjm h LEU 109 Cb 0.56 0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 41.30 1wjm h LEU 109 CO -0.78 -0.12 0.50 -0.09 -0.00 0.00 0.00 178.44 177.96 1wjm h ARG 110 N -0.11 0.93 0.55 1.13 2.43 0.28 0.24 114.38 119.83 1wjm h ARG 110 Ca 0.06 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1wjm h ARG 110 Cb 0.20 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1wjm h ARG 110 CO -0.14 0.61 -0.26 0.28 -1.51 0.00 0.00 179.97 178.95 1wjm h VAL 111 N 0.96 0.00 -0.99 0.20 2.07 0.32 0.99 116.25 119.80 1wjm h VAL 111 Ca 0.34 -0.46 0.31 0.00 0.82 0.00 0.00 66.70 67.71 1wjm h VAL 111 Cb 0.08 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.70 1wjm h VAL 111 CO -0.14 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.58 1wjm h VAL 112 N -1.19 0.32 -0.29 2.57 2.07 0.28 1.61 116.25 121.62 1wjm h VAL 112 Ca -0.07 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.16 1wjm h VAL 112 Cb 0.56 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1wjm h VAL 112 CO 0.12 0.06 -0.49 0.78 0.02 0.00 0.00 177.57 178.07 1wjm h ASN 113 N 0.34 0.86 0.84 0.57 2.35 -0.46 0.96 115.58 121.04 1wjm h ASN 113 Ca 0.72 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1wjm h ASN 113 Cb 1.61 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1wjm h ASN 113 CO -0.60 1.20 0.00 0.00 -1.65 0.00 0.00 177.43 176.38 1wjm h ALA 114 N 0.83 1.00 0.11 -0.83 0.00 0.46 -2.14 119.26 118.69 1wjm h ALA 114 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1wjm h ALA 114 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1wjm h ALA 114 CO 0.11 0.00 -1.63 0.00 0.00 0.00 0.00 179.25 177.73 1wjm h ALA 115 N 2.04 0.28 0.43 0.00 0.00 0.82 -3.20 119.26 119.63 1wjm h ALA 115 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 54.91 53.68 1wjm h ALA 115 Cb 0.42 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1wjm h ALA 115 CO 0.00 1.00 -0.48 0.82 0.00 0.00 0.00 179.25 180.59 1wjm h ILE 116 N -0.24 0.06 -0.14 0.00 2.04 -0.53 -2.84 117.51 115.87 1wjm h ILE 116 Ca -0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1wjm h ILE 116 Cb 1.82 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1wjm h ILE 116 CO 0.04 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.67 1wjm h ALA 117 N -0.70 -0.82 -0.42 1.87 0.00 -1.58 -3.27 119.26 114.34 1wjm h ALA 117 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1wjm h ALA 117 Cb 0.82 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1wjm h ALA 117 CO -0.09 -1.06 0.46 -1.12 0.00 0.00 0.00 179.25 177.44 1wjm s SER 118 N -4.86 4.37 0.00 0.00 0.01 -1.07 -4.63 113.70 107.52 1wjm s SER 118 Ca -0.15 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1wjm s SER 118 Cb 0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1wjm s SER 118 CO 0.62 -3.61 0.00 0.61 0.41 0.00 0.00 173.24 171.27 1wjm n GLY 119 N 6.45 3.09 3.82 3.44 0.00 -1.23 -4.04 105.19 116.71 1wjm n GLY 119 Ca 0.43 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 4.38 3.06 -0.12 1.61 0.04 -1.26 -5.02 135.00 137.68 1wjm s PRO 120 Ca 0.00 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 1wjm s PRO 120 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1wjm s PRO 120 CO 0.00 -1.00 -0.05 1.03 0.04 0.00 0.00 177.00 177.01 1wjm h SER 121 N -0.43 0.00 -3.52 6.66 0.87 -2.00 -3.45 113.55 111.69 1wjm h SER 121 Ca -0.44 -0.04 -0.62 0.00 -1.23 0.00 0.00 61.79 59.45 1wjm h SER 121 Cb 1.21 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.77 1wjm h SER 121 CO 0.57 0.65 -0.73 -0.44 -0.53 0.00 0.00 176.83 176.35 1wjm s SER 122 N -5.68 4.32 0.00 6.23 0.01 -1.26 -5.14 113.70 112.18 1wjm s SER 122 Ca -0.08 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.09 1wjm s SER 122 Cb 0.01 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1wjm s SER 122 CO 0.13 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.02