#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm n SER 2 N 0.00 -3.50 -3.71 1.61 2.88 -1.26 -5.06 113.62 104.59 1wjm n SER 2 Ca 0.00 0.78 -0.14 0.00 -1.33 0.00 0.00 58.87 58.18 1wjm n SER 2 Cb 0.00 3.33 -0.09 0.00 -0.75 0.00 0.00 64.21 66.70 1wjm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wjm s SER 3 N -2.00 -0.43 0.31 -3.46 0.15 -1.26 -4.99 113.70 102.02 1wjm s SER 3 Ca 0.00 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1wjm s SER 3 Cb 0.00 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1wjm s SER 3 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1wjm n GLY 4 N 2.23 1.21 2.34 9.45 0.00 -1.26 -5.02 105.19 114.15 1wjm n GLY 4 Ca -0.16 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 1wjm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wjm n SER 5 N 2.93 -0.60 0.12 1.61 2.88 -1.26 -4.41 113.62 114.89 1wjm n SER 5 Ca 0.00 1.04 -0.10 0.00 -1.33 0.00 0.00 58.87 58.48 1wjm n SER 5 Cb 0.00 -4.31 -0.06 0.00 -0.75 0.00 0.00 64.21 59.09 1wjm n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wjm h SER 6 N 3.17 -0.84 0.00 -3.46 0.87 -1.95 -3.45 113.55 107.89 1wjm h SER 6 Ca -0.45 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1wjm h SER 6 Cb 1.02 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1wjm h SER 6 CO 0.01 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.56 1wjm n GLY 7 N -1.30 0.71 3.23 5.77 0.00 -1.26 -5.08 105.19 107.26 1wjm n GLY 7 Ca -0.06 0.61 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 2.51 0.13 1.61 0.41 -1.26 -5.09 118.70 117.01 1wjm s GLU 8 Ca 0.00 -1.28 -0.06 0.00 -0.41 0.00 0.00 54.97 53.22 1wjm s GLU 8 Cb 0.00 -3.42 -0.06 0.00 -1.78 0.00 0.00 34.13 28.87 1wjm s GLU 8 CO 0.00 -0.71 0.39 -0.65 -0.49 0.00 0.00 175.26 173.80 1wjm s GLN 9 N 1.34 3.66 -0.24 1.61 -0.21 -1.26 -4.68 119.66 119.87 1wjm s GLN 9 Ca -0.01 -0.01 -0.16 0.00 0.02 0.00 0.00 55.36 55.19 1wjm s GLN 9 Cb -0.20 -2.87 0.07 0.00 1.00 0.00 0.00 33.01 31.01 1wjm s GLN 9 CO 0.01 0.48 0.61 1.41 -2.12 0.00 0.00 175.29 175.68 1wjm s MET 10 N -2.49 0.65 -0.15 2.91 1.75 -1.20 -5.03 119.30 115.73 1wjm s MET 10 Ca 0.39 1.03 -0.10 0.00 -1.25 0.00 0.00 55.69 55.77 1wjm s MET 10 Cb -0.12 0.17 0.05 0.00 2.84 0.00 0.00 34.83 37.77 1wjm s MET 10 CO 0.23 -0.13 0.38 -1.83 -0.65 0.00 0.00 175.02 173.02 1wjm s GLU 11 N 1.20 0.39 0.09 4.11 1.03 -1.26 0.30 118.70 124.56 1wjm s GLU 11 Ca -0.07 0.68 -0.26 0.00 0.03 0.00 0.00 54.97 55.35 1wjm s GLU 11 Cb -0.06 0.03 0.09 0.00 -0.80 0.00 0.00 34.13 33.40 1wjm s GLU 11 CO -0.12 -0.13 1.14 0.20 -1.33 0.00 0.00 175.26 175.02 1wjm s GLY 12 N 1.03 -0.13 -0.19 -3.83 0.00 -0.47 -5.01 107.32 98.73 1wjm s GLY 12 Ca -0.07 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 1wjm s GLY 12 CO -0.08 2.17 1.19 1.06 0.00 0.00 0.00 173.10 177.43 1wjm s MET 13 N -2.40 4.23 0.05 2.90 -1.94 -1.26 -1.09 119.30 119.79 1wjm s MET 13 Ca 0.20 1.54 0.01 0.00 -1.71 0.00 0.00 55.69 55.73 1wjm s MET 13 Cb -0.00 -3.73 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1wjm s MET 13 CO 0.01 -0.69 -0.05 -0.51 -0.01 0.00 0.00 175.02 173.77 1wjm s LEU 14 N 3.43 2.35 -0.70 -0.03 1.02 -1.07 -4.69 118.68 118.98 1wjm s LEU 14 Ca 0.51 -0.71 -0.18 0.00 0.02 0.00 0.00 54.13 53.77 1wjm s LEU 14 Cb -0.19 0.03 0.13 0.00 0.02 0.00 0.00 46.19 46.18 1wjm s LEU 14 CO 0.12 -0.37 0.79 0.00 0.02 0.00 0.00 176.35 176.91 1wjm s ARG 16 N 2.19 4.14 -0.37 0.00 3.52 -0.97 -3.20 118.95 124.26 1wjm s ARG 16 Ca 0.17 0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 1wjm s ARG 16 Cb -0.18 -3.64 0.11 0.00 -1.56 0.00 0.00 34.95 29.68 1wjm s ARG 16 CO 0.00 -0.40 0.12 0.21 -0.81 0.00 0.00 175.30 174.43 1wjm s LYS 17 N 2.45 1.32 -0.27 5.12 2.20 -0.05 -3.70 119.74 126.81 1wjm s LYS 17 Ca 0.28 -1.79 -0.28 0.00 -0.36 0.00 0.00 55.97 53.82 1wjm s LYS 17 Cb -0.16 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1wjm s LYS 17 CO 0.09 -1.01 2.12 -1.14 -0.36 0.00 0.00 175.35 175.05 1wjm s GLN 18 N 0.84 3.11 -0.15 4.03 0.74 -1.26 -2.61 119.66 124.36 1wjm s GLN 18 Ca 0.12 1.82 -0.13 0.00 0.05 0.00 0.00 55.36 57.23 1wjm s GLN 18 Cb -0.20 -4.34 -0.04 0.00 1.10 0.00 0.00 33.01 29.52 1wjm s GLN 18 CO -0.10 -2.12 -0.24 0.39 -0.55 0.00 0.00 175.29 172.66 1wjm n GLU 19 N 8.70 0.46 -4.12 1.67 -0.58 -0.72 -2.81 120.64 123.24 1wjm n GLU 19 Ca 0.28 0.37 -0.34 0.00 -0.42 0.00 0.00 57.16 57.05 1wjm n GLU 19 Cb 0.46 -1.52 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 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 -2.47 3.88 -0.00 3.49 -1.94 -0.97 0.59 119.30 121.87 1wjm s MET 20 Ca -0.20 -0.39 0.22 0.00 -1.71 0.00 0.00 55.69 53.60 1wjm s MET 20 Cb 0.03 -3.12 -0.15 0.00 2.01 0.00 0.00 34.83 33.60 1wjm s MET 20 CO 0.30 0.28 0.94 -1.91 -0.01 0.00 0.00 175.02 174.62 1wjm n GLU 21 N 3.50 0.04 -3.60 2.03 2.13 -0.92 -1.11 120.64 122.71 1wjm n GLU 21 Ca -0.17 -0.01 0.01 0.00 0.66 0.00 0.00 57.16 57.65 1wjm n GLU 21 Cb 0.52 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.72 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm s ALA 22 N -3.03 -2.29 -0.26 4.31 0.00 -0.76 -4.53 121.76 115.20 1wjm s ALA 22 Ca 0.07 1.17 -0.42 0.00 0.00 0.00 0.00 51.96 52.78 1wjm s ALA 22 Cb 0.16 0.09 -0.18 0.00 0.00 0.00 0.00 23.12 23.19 1wjm s ALA 22 CO 0.85 -0.88 1.49 1.19 0.00 0.00 0.00 175.76 178.42 1wjm n PHE 23 N -0.33 1.57 -2.19 0.00 3.72 -1.22 0.17 117.46 119.19 1wjm n PHE 23 Ca -0.05 0.90 -0.09 0.00 -0.05 0.00 0.00 57.45 58.17 1wjm n PHE 23 Cb 0.61 -2.28 -0.01 0.00 -0.94 0.00 0.00 39.48 36.86 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 3.33 -0.20 3.32 1.37 0.00 -1.26 -4.90 105.19 106.84 1wjm n GLY 24 Ca 0.26 0.00 -0.33 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 -4.50 3.32 -0.20 1.61 2.36 0.46 -5.09 119.74 117.69 1wjm s LYS 25 Ca 0.00 -0.70 -0.23 0.00 -2.55 0.00 0.00 55.97 52.49 1wjm s LYS 25 Cb 0.00 -2.70 -0.02 0.00 -1.05 0.00 0.00 37.83 34.06 1wjm s LYS 25 CO 0.00 0.06 0.76 -1.59 1.55 0.00 0.00 175.35 176.13 1wjm s LYS 26 N 0.75 4.23 0.39 4.03 -2.85 -1.26 -2.16 119.74 122.86 1wjm s LYS 26 Ca -0.05 0.85 -0.06 0.00 -1.00 0.00 0.00 55.97 55.71 1wjm s LYS 26 Cb -0.15 -3.60 0.09 0.00 -2.06 0.00 0.00 37.83 32.11 1wjm s LYS 26 CO 0.01 -0.35 0.20 0.00 0.10 0.00 0.00 175.35 175.31 1wjm n ALA 27 N 5.39 -1.20 -0.57 0.59 0.00 0.20 -4.67 120.51 120.25 1wjm n ALA 27 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1wjm n ALA 27 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1wjm n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjm n ALA 28 N -3.01 1.05 -0.10 0.00 0.00 -1.26 -4.81 120.51 112.39 1wjm n ALA 28 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1wjm n ALA 28 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.81 -0.25 -3.74 0.00 5.15 -1.26 -4.73 115.26 108.63 1wjm n ASN 29 Ca 0.00 1.14 -0.28 0.00 -0.60 0.00 0.00 54.58 54.83 1wjm n ASN 29 Cb 0.00 -0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 38.82 1wjm n ASN 29 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wjm n ARG 30 N -3.50 -3.18 -5.25 1.20 1.74 -1.12 -4.92 116.66 101.62 1wjm n ARG 30 Ca 0.00 0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 57.16 1wjm n ARG 30 Cb 0.06 -5.10 -0.16 0.00 -1.02 0.00 0.00 32.46 26.24 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wjm s SER 31 N -2.94 3.04 0.04 0.55 1.04 -1.26 -4.95 113.70 109.22 1wjm s SER 31 Ca 0.55 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 1wjm s SER 31 Cb -0.30 -0.87 -0.08 0.00 0.10 0.00 0.00 66.02 64.88 1wjm s SER 31 CO 0.68 0.24 1.65 0.26 0.98 0.00 0.00 173.24 177.05 1wjm s TRP 32 N -0.12 2.31 -0.10 5.02 0.52 -1.26 -4.63 118.94 120.67 1wjm s TRP 32 Ca -0.05 0.29 -0.09 0.00 0.02 0.00 0.00 56.10 56.27 1wjm s TRP 32 Cb -0.14 -3.95 0.03 0.00 -1.15 0.00 0.00 33.47 28.26 1wjm s TRP 32 CO 0.04 -3.87 0.26 -0.65 0.02 0.00 0.00 176.95 172.76 1wjm s GLN 33 N 2.97 0.30 -0.52 4.98 -0.21 -1.24 -5.06 119.66 120.88 1wjm s GLN 33 Ca 0.74 0.37 -0.27 0.00 0.02 0.00 0.00 55.36 56.22 1wjm s GLN 33 Cb -0.38 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 33.75 1wjm s GLN 33 CO 0.32 -0.04 1.75 -0.80 -2.12 0.00 0.00 175.29 174.40 1wjm s ASN 34 N 0.20 5.61 -0.16 5.90 -0.87 -1.26 -2.28 114.94 122.08 1wjm s ASN 34 Ca -0.00 0.60 0.02 0.00 -1.57 0.00 0.00 52.86 51.90 1wjm s ASN 34 Cb -0.02 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.69 1wjm s ASN 34 CO -0.00 -2.06 -0.20 -0.69 -2.57 0.00 0.00 177.10 171.58 1wjm s VAL 35 N 7.87 2.11 -0.36 1.60 1.01 0.67 -4.81 120.40 128.49 1wjm s VAL 35 Ca 0.68 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1wjm s VAL 35 Cb -0.15 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1wjm s VAL 35 CO 0.25 0.54 1.57 -0.47 0.00 0.00 0.00 175.10 176.99 1wjm s TYR 36 N 1.06 2.17 0.02 5.22 5.04 0.40 -2.61 117.35 128.64 1wjm s TYR 36 Ca -0.01 0.65 -0.30 0.00 -2.44 0.00 0.00 57.07 54.97 1wjm s TYR 36 Cb -0.14 -4.21 -0.04 0.00 0.35 0.00 0.00 41.96 37.92 1wjm s TYR 36 CO -0.07 -2.41 1.10 0.00 -1.34 0.00 0.00 175.55 172.83 1wjm s VAL 38 N 1.19 1.17 -0.12 0.00 1.01 0.54 -1.36 120.40 122.83 1wjm s VAL 38 Ca 0.55 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1wjm s VAL 38 Cb -0.25 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1wjm s VAL 38 CO 0.28 -0.37 0.22 -0.22 0.00 0.00 0.00 175.10 175.01 1wjm s LEU 39 N 1.52 4.34 -0.28 3.92 2.96 0.15 0.15 118.68 131.44 1wjm s LEU 39 Ca 0.02 0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 54.21 1wjm s LEU 39 Cb -0.18 -2.24 0.17 0.00 0.50 0.00 0.00 46.19 44.44 1wjm s LEU 39 CO -0.13 0.29 1.30 -0.60 -1.32 0.00 0.00 176.35 175.88 1wjm s ARG 40 N -0.48 0.21 -0.99 1.98 3.52 -0.27 -3.27 118.95 119.65 1wjm s ARG 40 Ca 0.16 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1wjm s ARG 40 Cb -0.13 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 1wjm s ARG 40 CO 0.05 -0.04 0.00 -2.13 -0.81 0.00 0.00 175.30 172.37 1wjm n ARG 41 N 1.52 -1.75 -1.75 5.12 0.63 -1.26 -0.48 116.66 118.69 1wjm n ARG 41 Ca -0.09 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1wjm n ARG 41 Cb 0.57 -5.27 0.00 0.00 0.45 0.00 0.00 32.46 28.21 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 0.36 0.61 2.92 5.14 0.00 -1.26 -3.58 105.19 109.38 1wjm n GLY 42 Ca -0.09 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1wjm n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wjm s SER 43 N -2.86 0.83 -0.36 1.61 0.01 0.36 -3.11 113.70 110.18 1wjm s SER 43 Ca 0.00 -0.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.97 1wjm s SER 43 Cb 0.00 -0.30 -0.00 0.00 0.21 0.00 0.00 66.02 65.93 1wjm s SER 43 CO 0.00 -0.00 0.43 -0.22 0.41 0.00 0.00 173.24 173.86 1wjm s LEU 44 N 0.51 4.51 0.23 2.44 2.96 -0.86 -1.11 118.68 127.35 1wjm s LEU 44 Ca -0.06 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1wjm s LEU 44 Cb -0.10 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 1wjm s LEU 44 CO -0.00 -0.45 0.32 -0.83 -1.32 0.00 0.00 176.35 174.07 1wjm s GLY 45 N 1.77 1.31 -0.10 7.98 0.00 0.40 0.14 107.32 118.82 1wjm s GLY 45 Ca 0.14 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1wjm s GLY 45 CO 0.13 -1.26 -0.16 -1.36 0.00 0.00 0.00 173.10 170.45 1wjm s PHE 46 N -1.97 2.00 0.07 1.90 0.08 -1.26 -0.34 117.98 118.46 1wjm s PHE 46 Ca 0.34 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 56.49 1wjm s PHE 46 Cb -0.09 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1wjm s PHE 46 CO 0.28 -0.45 -0.05 0.71 -0.10 0.00 0.00 175.22 175.61 1wjm s TYR 47 N 0.86 0.71 0.08 0.36 1.51 -0.39 -3.01 117.35 117.47 1wjm s TYR 47 Ca -0.09 -0.89 -0.26 0.00 -1.01 0.00 0.00 57.07 54.82 1wjm s TYR 47 Cb -0.15 -0.44 -0.11 0.00 -0.11 0.00 0.00 41.96 41.15 1wjm s TYR 47 CO 0.00 -0.21 1.42 -0.22 -1.11 0.00 0.00 175.55 175.42 1wjm h LYS 48 N 3.32 -0.51 0.00 -0.62 1.63 -1.87 1.16 116.57 119.67 1wjm h LYS 48 Ca -0.35 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.42 1wjm h LYS 48 Cb 1.16 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 1wjm h LYS 48 CO 0.61 -0.34 0.08 -0.25 -3.45 0.00 0.00 179.45 176.09 1wjm n ASP 49 N -4.72 -1.18 0.17 4.20 9.92 -1.26 -3.62 116.55 120.06 1wjm n ASP 49 Ca -0.06 -2.02 0.12 0.00 -0.53 0.00 0.00 54.79 52.30 1wjm n ASP 49 Cb 0.30 2.03 0.61 0.00 -0.64 0.00 0.00 41.12 43.42 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wjm h ALA 50 N 1.93 1.00 0.00 2.24 0.00 -1.96 0.43 119.26 122.90 1wjm h ALA 50 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1wjm h ALA 50 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wjm h ALA 50 CO 0.24 0.00 -0.70 0.87 0.00 0.00 0.00 179.25 179.66 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 6.56 -1.99 -2.51 116.57 118.64 1wjm h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wjm h LYS 51 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1wjm h LYS 51 CO 0.00 0.66 -1.29 0.00 -2.06 0.00 0.00 179.45 176.75 1wjm n ALA 52 N -2.27 3.35 0.12 3.86 0.00 0.12 -3.23 120.51 122.46 1wjm n ALA 52 Ca 0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.81 1wjm n ALA 52 Cb 0.81 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 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 2.40 0.01 0.00 0.00 0.00 -0.80 1.00 119.26 121.88 1wjm h ALA 53 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1wjm h ALA 53 Cb 0.80 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wjm h ALA 53 CO 0.00 0.89 -0.26 1.03 0.00 0.00 0.00 179.25 180.91 1wjm h SER 54 N 0.10 0.00 -0.38 0.00 0.87 -1.60 -3.08 113.55 109.47 1wjm h SER 54 Ca -0.18 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1wjm h SER 54 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1wjm h SER 54 CO 0.23 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.55 1wjm n ALA 55 N -1.92 2.41 -2.96 6.23 0.00 -1.20 -4.94 120.51 118.12 1wjm n ALA 55 Ca 0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 53.44 52.29 1wjm n ALA 55 Cb 0.47 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 19.10 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 1.43 -0.50 3.56 0.00 0.00 -0.77 -4.93 105.19 103.98 1wjm n GLY 56 Ca 0.19 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.93 5.25 0.21 1.61 1.01 0.34 -5.01 120.40 120.88 1wjm s VAL 57 Ca 0.24 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1wjm s VAL 57 Cb -0.12 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1wjm s VAL 57 CO 0.30 0.14 1.11 -2.16 0.00 0.00 0.00 175.10 174.48 1wjm s PRO 58 N 1.74 4.60 0.07 2.72 0.04 -1.26 -4.38 135.00 138.52 1wjm s PRO 58 Ca 0.07 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1wjm s PRO 58 Cb -0.17 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1wjm s PRO 58 CO 0.10 0.11 1.15 0.98 0.04 0.00 0.00 177.00 179.39 1wjm n TYR 59 N 2.01 -0.19 -0.28 0.56 9.36 -1.16 -3.36 117.16 124.11 1wjm n TYR 59 Ca 0.02 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1wjm n TYR 59 Cb 0.46 -0.51 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 1wjm n TYR 59 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1wjm n HIS 60 N -3.98 0.00 0.00 2.98 8.25 -1.26 -4.81 115.22 116.40 1wjm n HIS 60 Ca 0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1wjm n HIS 60 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.06 1.16 3.73 -1.41 0.00 -1.21 -5.08 105.19 102.32 1wjm n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.60 4.48 0.83 1.61 2.02 -1.26 -5.03 118.70 120.75 1wjm s GLU 62 Ca 0.00 1.80 -0.12 0.00 0.02 0.00 0.00 54.97 56.67 1wjm s GLU 62 Cb 0.00 -3.30 0.11 0.00 0.10 0.00 0.00 34.13 31.04 1wjm s GLU 62 CO 0.00 -0.14 1.19 0.14 0.02 0.00 0.00 175.26 176.47 1wjm s VAL 63 N 0.45 2.03 0.16 2.63 -7.23 -1.26 -4.55 120.40 112.63 1wjm s VAL 63 Ca 0.55 -0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 1wjm s VAL 63 Cb -0.31 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.57 1wjm s VAL 63 CO 0.33 0.00 1.13 -2.16 -0.31 0.00 0.00 175.10 174.08 1wjm s PRO 64 N -5.61 4.55 -0.17 4.82 0.04 -1.26 -4.65 135.00 132.73 1wjm s PRO 64 Ca 0.65 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.15 1wjm s PRO 64 Cb -0.09 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 1wjm s PRO 64 CO 0.49 -0.00 0.97 0.14 0.04 0.00 0.00 177.00 178.64 1wjm s VAL 65 N 0.00 4.77 0.13 -0.36 -7.23 0.12 -4.74 120.40 113.09 1wjm s VAL 65 Ca 0.51 1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 62.30 1wjm s VAL 65 Cb -0.30 -4.26 -0.09 0.00 0.56 0.00 0.00 36.38 32.29 1wjm s VAL 65 CO 0.34 -0.06 1.55 -0.94 -0.31 0.00 0.00 175.10 175.68 1wjm s SER 66 N 1.16 6.63 -0.36 4.85 1.04 -1.26 -2.02 113.70 123.74 1wjm s SER 66 Ca 0.44 2.53 0.01 0.00 0.48 0.00 0.00 55.95 59.41 1wjm s SER 66 Cb -0.17 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.74 1wjm s SER 66 CO 0.12 -0.81 1.80 0.18 0.98 0.00 0.00 173.24 175.51 1wjm n LEU 67 N 4.34 6.11 -4.52 2.42 4.77 -1.18 -4.80 117.00 124.14 1wjm n LEU 67 Ca 0.14 -3.22 -0.42 0.00 -0.03 0.00 0.00 56.01 52.48 1wjm n LEU 67 Cb 0.40 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1wjm n LEU 67 CO 0.61 1.07 1.02 0.00 -1.33 0.00 0.00 177.39 178.76 1wjm s ALA 68 N -2.30 2.89 0.00 -1.18 0.00 -1.26 -3.19 121.76 116.72 1wjm s ALA 68 Ca 0.39 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1wjm s ALA 68 Cb 0.32 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1wjm s ALA 68 CO 0.03 -3.06 0.00 0.54 0.00 0.00 0.00 175.76 173.28 1wjm n ARG 69 N 8.74 0.00 -2.81 0.00 1.74 -1.26 -4.61 116.66 118.47 1wjm n ARG 69 Ca 0.01 0.35 -0.28 0.00 -0.77 0.00 0.00 57.85 57.17 1wjm n ARG 69 Cb 0.48 -3.79 -0.01 0.00 -1.02 0.00 0.00 32.46 28.12 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 -2.00 3.44 -0.00 7.54 0.00 -1.19 -4.10 121.76 125.45 1wjm s ALA 70 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1wjm s ALA 70 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1wjm s ALA 70 CO 0.00 -0.22 -0.18 1.14 0.00 0.00 0.00 175.76 176.51 1wjm s GLN 71 N -4.47 2.25 -0.18 0.00 -2.07 0.51 -4.95 119.66 110.75 1wjm s GLN 71 Ca 0.47 -0.86 -0.03 0.00 -1.82 0.00 0.00 55.36 53.12 1wjm s GLN 71 Cb -0.10 -2.24 0.06 0.00 -1.09 0.00 0.00 33.01 29.63 1wjm s GLN 71 CO 0.41 0.58 0.03 0.20 -1.32 0.00 0.00 175.29 175.18 1wjm s GLY 72 N -1.04 0.67 0.10 2.60 0.00 -1.26 0.05 107.32 108.43 1wjm s GLY 72 Ca 0.13 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.24 1wjm s GLY 72 CO 0.03 1.39 -0.05 -0.56 0.00 0.00 0.00 173.10 173.91 1wjm s SER 73 N 1.88 0.98 0.81 1.64 0.01 -0.43 -4.99 113.70 113.59 1wjm s SER 73 Ca -0.00 -1.03 -0.10 0.00 1.31 0.00 0.00 55.95 56.13 1wjm s SER 73 Cb -0.16 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.27 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 -3.70 3.03 -1.18 3.43 1.01 -1.26 0.14 120.40 121.86 1wjm s VAL 74 Ca 0.13 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 1wjm s VAL 74 Cb 0.06 -2.71 0.23 0.00 0.00 0.00 0.00 36.38 33.96 1wjm s VAL 74 CO -0.05 -0.43 1.59 0.00 0.00 0.00 0.00 175.10 176.20 1wjm n ALA 75 N -3.68 4.97 -2.41 5.51 0.00 0.18 -4.10 120.51 120.97 1wjm n ALA 75 Ca 0.10 -4.53 -0.38 0.00 0.00 0.00 0.00 53.44 48.64 1wjm n ALA 75 Cb 0.53 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1wjm n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wjm s PHE 76 N -0.80 2.44 0.00 0.00 0.08 -1.26 -3.16 117.98 115.27 1wjm s PHE 76 Ca 0.36 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.67 1wjm s PHE 76 Cb 0.04 -4.51 0.00 0.00 -0.57 0.00 0.00 43.02 37.98 1wjm s PHE 76 CO 0.03 -1.72 0.00 -3.47 -0.10 0.00 0.00 175.22 169.96 1wjm n ASP 77 N 10.36 0.00 -4.51 1.36 2.03 -1.26 -5.09 116.55 119.45 1wjm n ASP 77 Ca 0.43 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.39 1wjm n ASP 77 Cb 0.48 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.71 1wjm n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wjm n TYR 78 N 0.00 0.48 -2.50 -0.67 4.19 -1.19 -4.77 117.16 112.71 1wjm n TYR 78 Ca 0.00 0.24 -0.42 0.00 3.31 0.00 0.00 57.90 61.03 1wjm n TYR 78 Cb 0.00 -1.88 0.01 0.00 0.49 0.00 0.00 39.34 37.96 1wjm n TYR 78 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1wjm n ARG 79 N 7.70 4.13 0.04 2.98 0.63 -1.26 -4.10 116.66 126.79 1wjm n ARG 79 Ca 0.64 -3.89 0.00 0.00 -0.92 0.00 0.00 57.85 53.68 1wjm n ARG 79 Cb 0.11 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.28 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1wjm n LYS 80 N 2.56 0.00 -2.72 -0.14 4.76 -1.26 -5.15 118.16 116.21 1wjm n LYS 80 Ca 0.39 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.59 1wjm n LYS 80 Cb 0.33 0.00 0.02 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 2.90 0.15 1.97 1.81 -1.26 -5.11 118.95 117.41 1wjm s ARG 81 Ca 0.00 -0.39 0.08 0.00 -1.72 0.00 0.00 55.73 53.70 1wjm s ARG 81 Cb 0.00 -2.45 -0.04 0.00 -0.45 0.00 0.00 34.95 32.01 1wjm s ARG 81 CO 0.00 -0.51 -0.17 0.15 -0.68 0.00 0.00 175.30 174.09 1wjm s LYS 82 N -4.75 1.19 -0.92 3.54 1.02 -1.26 -4.84 119.74 113.72 1wjm s LYS 82 Ca 0.52 -1.34 -0.08 0.00 0.02 0.00 0.00 55.97 55.09 1wjm s LYS 82 Cb -0.10 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 1wjm s LYS 82 CO 0.40 0.24 0.72 0.72 -0.92 0.00 0.00 175.35 176.52 1wjm n HIS 83 N 0.40 -2.33 -4.50 3.18 8.25 -1.26 -4.52 115.22 114.44 1wjm n HIS 83 Ca -0.14 0.80 -0.20 0.00 -0.26 0.00 0.00 57.72 57.91 1wjm n HIS 83 Cb 0.57 -3.53 -0.15 0.00 1.12 0.00 0.00 29.99 28.00 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 -3.19 0.94 0.02 1.59 1.01 -1.26 -0.22 120.40 119.29 1wjm s VAL 84 Ca 0.20 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1wjm s VAL 84 Cb -0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1wjm s VAL 84 CO 0.83 0.23 -0.11 0.72 0.00 0.00 0.00 175.10 176.77 1wjm s PHE 85 N -0.34 1.00 -0.15 5.22 -0.71 -0.77 0.49 117.98 122.72 1wjm s PHE 85 Ca 0.04 -0.27 -0.14 0.00 -1.04 0.00 0.00 56.93 55.52 1wjm s PHE 85 Cb -0.05 -0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 41.10 1wjm s PHE 85 CO -0.00 -0.00 0.30 0.21 -1.34 0.00 0.00 175.22 174.39 1wjm s LYS 86 N -0.73 4.21 -0.26 1.99 2.20 0.36 -2.48 119.74 125.03 1wjm s LYS 86 Ca 0.01 0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1wjm s LYS 86 Cb -0.06 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1wjm s LYS 86 CO 0.00 0.28 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.08 1wjm s LEU 87 N 0.32 3.40 -0.29 5.43 2.96 -0.13 -1.31 118.68 129.05 1wjm s LEU 87 Ca 0.17 -0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 1wjm s LEU 87 Cb -0.13 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1wjm s LEU 87 CO 0.05 -0.16 0.08 -0.83 -1.32 0.00 0.00 176.35 174.17 1wjm s GLY 88 N 1.34 1.79 0.45 7.98 0.00 0.11 -0.39 107.32 118.59 1wjm s GLY 88 Ca -0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 44.72 43.19 1wjm s GLY 88 CO -0.03 0.65 0.47 1.04 0.00 0.00 0.00 173.10 175.22 1wjm n LEU 89 N 4.86 0.00 0.03 0.66 4.77 0.52 0.19 117.00 128.04 1wjm n LEU 89 Ca -0.15 -0.50 0.11 0.00 -0.03 0.00 0.00 56.01 55.45 1wjm n LEU 89 Cb 0.48 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1wjm n LEU 89 CO 0.31 -1.26 -0.23 0.00 -1.33 0.00 0.00 177.39 174.88 1wjm n GLN 90 N -2.59 0.47 -0.05 3.23 10.64 -1.26 -3.81 117.38 124.02 1wjm n GLN 90 Ca 0.06 -0.03 0.11 0.00 -1.83 0.00 0.00 57.00 55.31 1wjm n GLN 90 Cb 0.23 -1.63 0.46 0.00 -0.86 0.00 0.00 30.24 28.44 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 -2.21 1.10 0.00 2.61 -0.08 -1.26 -4.85 116.55 111.85 1wjm n ASP 91 Ca -0.00 -1.58 0.00 0.00 -1.51 0.00 0.00 54.79 51.69 1wjm n ASP 91 Cb 0.50 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wjm n GLY 92 N 1.03 0.77 3.63 0.27 0.00 -1.25 -3.87 105.19 105.77 1wjm n GLY 92 Ca 0.16 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.87 4.07 -0.15 1.61 1.02 -1.26 -1.83 119.74 121.32 1wjm s LYS 93 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1wjm s LYS 93 Cb 0.00 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1wjm s LYS 93 CO 0.00 -0.15 -0.21 -2.00 -0.92 0.00 0.00 175.35 172.07 1wjm s GLU 94 N 1.67 3.03 0.18 1.68 2.12 -0.26 0.20 118.70 127.32 1wjm s GLU 94 Ca 0.15 -0.84 0.10 0.00 0.36 0.00 0.00 54.97 54.74 1wjm s GLU 94 Cb -0.15 -2.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1wjm s GLU 94 CO 0.09 -0.04 -0.22 0.71 -0.54 0.00 0.00 175.26 175.26 1wjm s TYR 95 N 0.88 2.12 -0.16 5.30 2.02 0.48 -1.75 117.35 126.23 1wjm s TYR 95 Ca -0.05 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1wjm s TYR 95 Cb -0.15 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1wjm s TYR 95 CO -0.03 0.44 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.69 1wjm s LEU 96 N -2.66 2.22 0.03 -1.29 1.43 -1.07 -0.96 118.68 116.38 1wjm s LEU 96 Ca 0.19 -0.59 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1wjm s LEU 96 Cb -0.07 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1wjm s LEU 96 CO 0.09 0.04 -0.26 -0.36 0.23 0.00 0.00 176.35 176.09 1wjm s PHE 97 N 1.04 2.28 -0.27 0.29 0.08 -1.04 -0.87 117.98 119.49 1wjm s PHE 97 Ca -0.01 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1wjm s PHE 97 Cb -0.14 -1.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.98 1wjm s PHE 97 CO -0.06 0.09 -0.09 -1.14 -0.10 0.00 0.00 175.22 173.92 1wjm s GLN 98 N -1.11 2.22 1.05 0.44 0.74 -1.19 -1.84 119.66 119.96 1wjm s GLN 98 Ca 0.11 -1.37 -0.16 0.00 0.05 0.00 0.00 55.36 53.99 1wjm s GLN 98 Cb -0.10 -2.93 0.22 0.00 1.10 0.00 0.00 33.01 31.29 1wjm s GLN 98 CO 0.01 -0.60 1.15 0.00 -0.55 0.00 0.00 175.29 175.31 1wjm s ALA 99 N 1.10 1.27 -0.06 1.58 0.00 0.69 -3.62 121.76 122.73 1wjm s ALA 99 Ca -0.08 -0.80 0.13 0.00 0.00 0.00 0.00 51.96 51.22 1wjm s ALA 99 Cb -0.20 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.04 1wjm s ALA 99 CO -0.05 -2.92 1.43 1.57 0.00 0.00 0.00 175.76 175.79 1wjm h LYS 100 N -2.02 0.00 0.00 0.00 2.10 -1.84 -3.45 116.57 111.36 1wjm h LYS 100 Ca -0.48 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.23 1wjm h LYS 100 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1wjm h LYS 100 CO 0.46 0.62 0.33 -0.25 -2.00 0.00 0.00 179.45 178.60 1wjm n ASP 101 N -3.29 -1.45 0.28 7.07 9.92 -1.26 -5.00 116.55 122.81 1wjm n ASP 101 Ca 0.01 -1.89 0.13 0.00 -0.53 0.00 0.00 54.79 52.51 1wjm n ASP 101 Cb 0.77 2.39 0.81 0.00 -0.64 0.00 0.00 41.12 44.44 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wjm h GLU 102 N 0.00 0.00 0.00 -1.24 5.08 -1.92 -1.72 114.58 114.77 1wjm h GLU 102 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1wjm h GLU 102 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wjm h GLU 102 CO 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 1wjm n ALA 103 N -2.41 -0.22 -0.34 3.43 0.00 -1.26 -0.65 120.51 119.06 1wjm n ALA 103 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.57 1wjm n ALA 103 Cb 0.10 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.85 1wjm n ALA 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wjm h GLU 104 N 0.00 0.01 0.15 0.00 4.57 -1.93 0.68 114.58 118.06 1wjm h GLU 104 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1wjm h GLU 104 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1wjm h GLU 104 CO 0.00 0.00 -0.07 1.98 -1.18 0.00 0.00 179.01 179.74 1wjm h MET 105 N 0.01 -0.19 -0.78 1.92 4.05 -1.38 0.15 114.93 118.70 1wjm h MET 105 Ca 0.61 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 60.20 1wjm h MET 105 Cb 1.27 0.04 -0.15 0.00 -0.80 0.00 0.00 31.60 31.97 1wjm h MET 105 CO -0.93 -0.13 -0.18 1.03 0.23 0.00 0.00 176.91 176.94 1wjm h SER 106 N -0.21 -0.70 0.04 1.39 0.87 0.32 0.11 113.55 115.36 1wjm h SER 106 Ca -0.02 0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1wjm h SER 106 Cb 0.15 0.48 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 1wjm h SER 106 CO 0.03 -0.26 -0.36 0.28 -0.53 0.00 0.00 176.83 176.00 1wjm h SER 107 N 0.00 -1.07 -0.47 6.23 0.02 0.34 -0.28 113.55 118.32 1wjm h SER 107 Ca 0.38 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.51 1wjm h SER 107 Cb 0.59 0.42 -0.06 0.00 0.14 0.00 0.00 62.40 63.48 1wjm h SER 107 CO -0.80 -0.42 -0.35 -0.50 -1.14 0.00 0.00 176.83 173.62 1wjm h TRP 108 N -0.54 -1.12 -0.76 3.45 4.06 0.13 0.63 115.95 121.81 1wjm h TRP 108 Ca 0.05 0.07 0.13 0.00 2.06 0.00 0.00 58.89 61.19 1wjm h TRP 108 Cb 0.60 0.55 -0.13 0.00 -1.00 0.00 0.00 29.16 29.18 1wjm h TRP 108 CO -0.36 -0.25 -0.36 -0.07 -3.56 0.00 0.00 178.44 173.84 1wjm h LEU 109 N -0.09 -1.27 -1.59 -4.49 -0.00 -0.86 2.35 115.31 109.35 1wjm h LEU 109 Ca 0.08 0.26 0.17 0.00 -0.00 0.00 0.00 57.88 58.39 1wjm h LEU 109 Cb 0.29 0.65 -0.05 0.00 -0.00 0.00 0.00 40.66 41.55 1wjm h LEU 109 CO -0.49 -0.30 0.54 -0.09 -0.00 0.00 0.00 178.44 178.09 1wjm h ARG 110 N -0.09 0.37 0.00 1.13 2.43 0.14 0.77 114.38 119.12 1wjm h ARG 110 Ca 0.28 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1wjm h ARG 110 Cb 0.57 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1wjm h ARG 110 CO -0.81 0.25 -0.03 0.28 -1.51 0.00 0.00 179.97 178.14 1wjm h VAL 111 N 0.38 0.14 -1.09 0.20 2.07 0.75 -2.25 116.25 116.45 1wjm h VAL 111 Ca 0.40 -1.11 0.30 0.00 0.82 0.00 0.00 66.70 67.11 1wjm h VAL 111 Cb 0.99 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.92 1wjm h VAL 111 CO -0.13 0.05 0.69 0.58 0.02 0.00 0.00 177.57 178.78 1wjm h VAL 112 N -1.00 0.44 -0.12 2.57 2.07 0.36 1.55 116.25 122.12 1wjm h VAL 112 Ca -0.00 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.23 1wjm h VAL 112 Cb 0.11 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1wjm h VAL 112 CO -0.00 0.06 -0.65 0.78 0.02 0.00 0.00 177.57 177.78 1wjm h ASN 113 N 0.34 0.54 0.96 0.57 2.35 0.46 0.19 115.58 120.98 1wjm h ASN 113 Ca 0.65 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1wjm h ASN 113 Cb 1.70 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.91 1wjm h ASN 113 CO -0.34 1.05 0.00 0.00 -1.65 0.00 0.00 177.43 176.48 1wjm h ALA 114 N 0.95 1.00 0.05 -0.83 0.00 0.26 -1.96 119.26 118.74 1wjm h ALA 114 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1wjm h ALA 114 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1wjm h ALA 114 CO 0.12 0.00 -1.94 0.00 0.00 0.00 0.00 179.25 177.43 1wjm n ALA 115 N -1.88 0.99 0.27 0.00 0.00 0.10 -3.44 120.51 116.55 1wjm n ALA 115 Ca 0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 53.44 52.57 1wjm n ALA 115 Cb 0.29 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 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 0.14 0.09 0.00 2.04 -0.51 0.70 117.51 119.54 1wjm h ILE 116 Ca -0.47 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1wjm h ILE 116 Cb 1.73 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1wjm h ILE 116 CO -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 178.15 177.68 1wjm h ALA 117 N -0.57 -0.87 -0.43 1.87 0.00 -1.57 -2.65 119.26 115.04 1wjm h ALA 117 Ca -0.04 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1wjm h ALA 117 Cb 0.78 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 1wjm h ALA 117 CO -0.05 -0.95 -0.52 1.03 0.00 0.00 0.00 179.25 178.75 1wjm h SER 118 N -0.52 -1.75 -4.96 0.00 0.87 -1.55 -3.48 113.55 102.15 1wjm h SER 118 Ca -0.01 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1wjm h SER 118 Cb 0.52 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1wjm h SER 118 CO -0.19 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 176.33 1wjm n GLY 119 N -1.39 1.86 3.30 5.77 0.00 0.24 -4.77 105.19 110.21 1wjm n GLY 119 Ca -0.02 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 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 1.83 2.29 -2.02 1.61 -0.04 -1.26 -4.47 135.00 132.95 1wjm n PRO 120 Ca 0.00 -2.59 -0.41 0.00 -0.04 0.00 0.00 63.50 60.46 1wjm n PRO 120 Cb 0.00 -3.39 -0.02 0.00 -0.04 0.00 0.00 33.50 30.04 1wjm n PRO 120 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wjm s SER 121 N 4.82 6.67 0.14 3.54 0.01 -1.23 -5.01 113.70 122.64 1wjm s SER 121 Ca 0.57 2.63 0.02 0.00 1.31 0.00 0.00 55.95 60.48 1wjm s SER 121 Cb 0.07 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1wjm s SER 121 CO 0.07 -0.70 -0.02 -0.94 0.41 0.00 0.00 173.24 172.06 1wjm s SER 122 N 0.48 1.13 0.00 2.44 1.04 -1.26 -4.96 113.70 112.57 1wjm s SER 122 Ca 0.61 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1wjm s SER 122 Cb -0.42 0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1wjm s SER 122 CO 0.41 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.70