#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 6.35 0.15 1.61 0.15 -1.26 -5.07 113.70 115.63 1wjm s SER 2 Ca 0.00 0.41 -0.24 0.00 0.70 0.00 0.00 55.95 56.81 1wjm s SER 2 Cb 0.00 -2.10 0.06 0.00 -1.71 0.00 0.00 66.02 62.27 1wjm s SER 2 CO 0.00 0.29 0.83 -0.94 1.20 0.00 0.00 173.24 174.62 1wjm s SER 3 N -0.37 -0.30 -0.49 5.45 1.04 -1.26 -5.12 113.70 112.66 1wjm s SER 3 Ca 0.13 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.31 1wjm s SER 3 Cb -0.12 0.54 0.18 0.00 0.10 0.00 0.00 66.02 66.73 1wjm s SER 3 CO 0.02 -0.96 0.65 -0.83 0.98 0.00 0.00 173.24 173.10 1wjm s GLY 4 N -2.81 -0.90 -0.08 7.32 0.00 -1.26 -5.13 107.32 104.46 1wjm s GLY 4 Ca 0.09 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1wjm s GLY 4 CO -0.01 3.43 -0.13 -0.56 0.00 0.00 0.00 173.10 175.83 1wjm s SER 5 N 0.92 1.98 0.00 1.64 0.01 -1.26 -4.87 113.70 112.12 1wjm s SER 5 Ca 0.28 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1wjm s SER 5 Cb -0.01 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.32 1wjm s SER 5 CO -0.07 0.03 0.00 -1.20 0.41 0.00 0.00 173.24 172.41 1wjm n SER 6 N 3.92 0.00 -3.06 2.44 7.64 -1.26 -5.14 113.62 118.16 1wjm n SER 6 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1wjm n SER 6 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 -1.21 3.26 0.23 0.00 -1.26 -4.98 105.19 101.23 1wjm n GLY 7 Ca 0.00 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.28 3.46 -0.08 1.61 8.01 -1.26 -5.04 118.70 125.12 1wjm s GLU 8 Ca 0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 54.97 52.23 1wjm s GLU 8 Cb 0.00 -4.26 -0.04 0.00 -4.31 0.00 0.00 34.13 25.52 1wjm s GLU 8 CO 0.00 -1.25 0.15 -0.65 0.01 0.00 0.00 175.26 173.52 1wjm s GLN 9 N -0.30 3.43 -0.03 1.61 1.11 -1.26 -4.63 119.66 119.59 1wjm s GLN 9 Ca 0.21 -0.20 -0.00 0.00 0.01 0.00 0.00 55.36 55.37 1wjm s GLN 9 Cb -0.12 -3.15 0.03 0.00 -1.01 0.00 0.00 33.01 28.76 1wjm s GLN 9 CO -0.08 0.74 0.05 1.41 0.01 0.00 0.00 175.29 177.42 1wjm s MET 10 N -1.33 -0.01 -0.12 2.91 1.75 -0.81 -4.97 119.30 116.72 1wjm s MET 10 Ca 0.19 0.20 -0.05 0.00 -1.25 0.00 0.00 55.69 54.78 1wjm s MET 10 Cb -0.12 -0.21 0.05 0.00 2.84 0.00 0.00 34.83 37.39 1wjm s MET 10 CO 0.09 -0.15 0.25 -1.83 -0.65 0.00 0.00 175.02 172.73 1wjm s GLU 11 N 0.97 0.18 -0.07 4.11 -1.05 -1.26 0.19 118.70 121.78 1wjm s GLU 11 Ca -0.08 0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 55.06 1wjm s GLU 11 Cb -0.11 -0.09 0.11 0.00 -0.44 0.00 0.00 34.13 33.60 1wjm s GLU 11 CO -0.03 -0.22 0.97 0.20 0.95 0.00 0.00 175.26 177.13 1wjm s GLY 12 N 1.77 -0.40 0.03 -3.83 0.00 -0.75 -5.01 107.32 99.13 1wjm s GLY 12 Ca -0.05 1.28 -0.31 0.00 0.00 0.00 0.00 44.72 45.64 1wjm s GLY 12 CO -0.08 0.47 1.96 1.03 0.00 0.00 0.00 173.10 176.47 1wjm n MET 13 N -0.08 2.79 -4.01 2.90 2.81 -1.26 -2.31 117.12 117.97 1wjm n MET 13 Ca -0.07 1.02 -0.08 0.00 -1.81 0.00 0.00 57.70 56.76 1wjm n MET 13 Cb 0.60 -2.97 -0.10 0.00 -0.71 0.00 0.00 33.22 30.05 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 4.34 2.22 -0.66 4.03 1.02 -1.12 -4.75 118.68 123.75 1wjm s LEU 14 Ca 0.89 -0.68 -0.17 0.00 0.02 0.00 0.00 54.13 54.19 1wjm s LEU 14 Cb -0.47 0.26 0.14 0.00 0.02 0.00 0.00 46.19 46.14 1wjm s LEU 14 CO 0.43 -0.46 0.70 0.00 0.02 0.00 0.00 176.35 177.04 1wjm s ARG 16 N 1.78 4.10 -0.41 0.00 3.52 -0.98 -3.19 118.95 123.77 1wjm s ARG 16 Ca 0.12 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.37 1wjm s ARG 16 Cb -0.21 -3.66 0.12 0.00 -1.56 0.00 0.00 34.95 29.64 1wjm s ARG 16 CO 0.00 -0.46 0.16 0.21 -0.81 0.00 0.00 175.30 174.40 1wjm s LYS 17 N 2.61 1.40 -0.27 5.12 2.20 -0.74 -3.50 119.74 126.57 1wjm s LYS 17 Ca 0.28 -1.95 -0.29 0.00 -0.36 0.00 0.00 55.97 53.66 1wjm s LYS 17 Cb -0.15 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1wjm s LYS 17 CO 0.09 -1.05 1.83 -1.14 -0.36 0.00 0.00 175.35 174.72 1wjm s GLN 18 N 0.59 3.44 -0.24 4.03 0.74 -1.26 -2.29 119.66 124.66 1wjm s GLN 18 Ca 0.14 1.63 -0.18 0.00 0.05 0.00 0.00 55.36 57.01 1wjm s GLN 18 Cb -0.22 -4.19 -0.15 0.00 1.10 0.00 0.00 33.01 29.55 1wjm s GLN 18 CO -0.07 -1.73 -0.09 0.39 -0.55 0.00 0.00 175.29 173.24 1wjm n GLU 19 N 8.28 0.58 -4.77 1.67 4.71 -0.94 -4.27 120.64 125.89 1wjm n GLU 19 Ca 0.23 0.41 -0.32 0.00 -0.01 0.00 0.00 57.16 57.48 1wjm n GLU 19 Cb 0.46 -1.61 -0.13 0.00 -1.01 0.00 0.00 31.44 29.15 1wjm n GLU 19 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1wjm s MET 20 N -2.44 2.30 -0.00 3.49 -1.94 -1.14 -1.90 119.30 117.67 1wjm s MET 20 Ca -0.34 -0.83 0.07 0.00 -1.71 0.00 0.00 55.69 52.88 1wjm s MET 20 Cb 0.10 -2.29 -0.09 0.00 2.01 0.00 0.00 34.83 34.57 1wjm s MET 20 CO 0.53 0.58 0.29 -1.91 -0.01 0.00 0.00 175.02 174.51 1wjm n GLU 21 N 1.90 3.84 -3.84 2.03 2.13 -1.26 -2.31 120.64 123.13 1wjm n GLU 21 Ca -0.16 -0.01 -0.04 0.00 0.66 0.00 0.00 57.16 57.60 1wjm n GLU 21 Cb 0.52 -0.91 0.01 0.00 0.27 0.00 0.00 31.44 31.34 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 -1.84 -1.43 0.19 4.31 0.00 0.17 -4.40 121.76 118.76 1wjm s ALA 22 Ca 0.02 -0.31 -0.32 0.00 0.00 0.00 0.00 51.96 51.35 1wjm s ALA 22 Cb 0.06 0.72 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 1wjm s ALA 22 CO 0.31 -1.04 1.75 -0.06 0.00 0.00 0.00 175.76 176.72 1wjm s PHE 23 N -2.51 2.71 -0.62 0.00 0.08 -1.25 -1.83 117.98 114.57 1wjm s PHE 23 Ca 0.18 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.43 1wjm s PHE 23 Cb -0.03 -4.16 0.04 0.00 -0.57 0.00 0.00 43.02 38.31 1wjm s PHE 23 CO 0.06 -4.48 0.15 0.41 -0.10 0.00 0.00 175.22 171.25 1wjm n GLY 24 N 4.05 -0.48 0.00 4.36 0.00 -1.26 -4.87 105.19 106.98 1wjm n GLY 24 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1wjm n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wjm n LYS 25 N -2.93 3.48 -3.71 1.61 4.81 -0.76 -5.14 118.16 115.52 1wjm n LYS 25 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 1wjm n LYS 25 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 1wjm n LYS 25 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wjm s LYS 26 N 2.45 0.57 0.22 1.64 -2.85 -1.26 -4.74 119.74 115.77 1wjm s LYS 26 Ca 0.00 0.61 -0.24 0.00 -1.00 0.00 0.00 55.97 55.33 1wjm s LYS 26 Cb 0.00 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 1wjm s LYS 26 CO 0.00 -0.08 0.81 0.00 0.10 0.00 0.00 175.35 176.19 1wjm s ALA 27 N 0.14 3.38 0.00 0.59 0.00 -0.80 -4.39 121.76 120.68 1wjm s ALA 27 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1wjm s ALA 27 Cb -0.03 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1wjm s ALA 27 CO 0.01 0.27 0.94 0.00 0.00 0.00 0.00 175.76 176.98 1wjm n ALA 28 N 1.09 -0.01 -2.76 0.00 0.00 -1.26 -4.36 120.51 113.21 1wjm n ALA 28 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 1wjm n ALA 28 Cb 0.50 0.46 -0.08 0.00 0.00 0.00 0.00 19.45 20.32 1wjm n ALA 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wjm s ASN 29 N -2.98 5.64 -0.49 0.00 3.84 -1.26 -5.03 114.94 114.66 1wjm s ASN 29 Ca 0.00 0.24 0.07 0.00 0.21 0.00 0.00 52.86 53.38 1wjm s ASN 29 Cb 0.00 -1.72 0.37 0.00 -0.55 0.00 0.00 41.25 39.36 1wjm s ASN 29 CO 0.00 0.37 0.96 0.54 -2.79 0.00 0.00 177.10 176.17 1wjm n ARG 30 N 2.23 2.75 -4.45 0.43 1.74 -1.26 -4.63 116.66 113.46 1wjm n ARG 30 Ca -0.19 -4.39 -0.25 0.00 -0.77 0.00 0.00 57.85 52.25 1wjm n ARG 30 Cb 0.54 -2.07 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 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 -3.29 3.54 0.06 0.55 1.04 -1.26 -5.01 113.70 109.33 1wjm s SER 31 Ca 0.45 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 1wjm s SER 31 Cb 0.34 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 1wjm s SER 31 CO -0.13 0.07 0.99 0.26 0.98 0.00 0.00 173.24 175.40 1wjm s TRP 32 N -2.22 3.72 -0.08 5.02 0.52 -1.26 -4.55 118.94 120.09 1wjm s TRP 32 Ca 0.27 1.73 -0.04 0.00 0.02 0.00 0.00 56.10 58.08 1wjm s TRP 32 Cb -0.06 -3.11 0.04 0.00 -1.15 0.00 0.00 33.47 29.19 1wjm s TRP 32 CO 0.13 0.02 0.18 -0.65 0.02 0.00 0.00 176.95 176.64 1wjm s GLN 33 N 0.48 0.12 -0.46 4.98 -0.21 -1.23 -5.05 119.66 118.30 1wjm s GLN 33 Ca 0.50 0.43 -0.27 0.00 0.02 0.00 0.00 55.36 56.03 1wjm s GLN 33 Cb -0.23 -0.17 -0.03 0.00 1.00 0.00 0.00 33.01 33.58 1wjm s GLN 33 CO 0.29 -0.17 2.01 0.54 -2.12 0.00 0.00 175.29 175.84 1wjm s ASN 34 N 1.25 5.27 -0.11 5.90 4.22 -1.26 -2.31 114.94 127.90 1wjm s ASN 34 Ca -0.09 0.95 0.02 0.00 -2.14 0.00 0.00 52.86 51.60 1wjm s ASN 34 Cb -0.11 -2.52 0.01 0.00 1.28 0.00 0.00 41.25 39.91 1wjm s ASN 34 CO -0.07 -2.26 -0.15 -0.69 -2.04 0.00 0.00 177.10 171.89 1wjm s VAL 35 N 9.12 1.49 -0.38 3.54 1.01 0.14 -4.82 120.40 130.50 1wjm s VAL 35 Ca 0.81 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1wjm s VAL 35 Cb -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1wjm s VAL 35 CO 0.27 0.44 1.51 -0.47 0.00 0.00 0.00 175.10 176.85 1wjm s TYR 36 N 0.97 2.25 0.11 5.22 5.04 0.32 -2.80 117.35 128.45 1wjm s TYR 36 Ca -0.07 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 54.92 1wjm s TYR 36 Cb -0.15 -4.24 -0.06 0.00 0.35 0.00 0.00 41.96 37.85 1wjm s TYR 36 CO -0.01 -2.25 1.18 0.00 -1.34 0.00 0.00 175.55 173.12 1wjm s VAL 38 N 0.58 1.19 -0.08 0.00 1.01 0.14 -1.80 120.40 121.45 1wjm s VAL 38 Ca 0.56 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1wjm s VAL 38 Cb -0.30 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1wjm s VAL 38 CO 0.32 -0.38 0.10 -0.22 0.00 0.00 0.00 175.10 174.92 1wjm s LEU 39 N 1.51 4.10 0.00 3.92 2.96 0.51 0.19 118.68 131.86 1wjm s LEU 39 Ca 0.03 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1wjm s LEU 39 Cb -0.18 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1wjm s LEU 39 CO -0.13 0.36 0.00 -1.14 -1.32 0.00 0.00 176.35 174.11 1wjm n ARG 40 N 1.73 1.16 -0.84 1.98 3.00 -0.80 -1.91 116.66 120.98 1wjm n ARG 40 Ca -0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.29 1wjm n ARG 40 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.93 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 0.99 -1.82 -0.14 5.12 -1.26 -3.43 116.66 116.12 1wjm n ARG 41 Ca 0.00 -1.46 -0.01 0.00 -1.93 0.00 0.00 57.85 54.45 1wjm n ARG 41 Cb 0.00 -2.69 0.00 0.00 -1.16 0.00 0.00 32.46 28.62 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wjm n GLY 42 N 4.57 0.62 3.71 -0.13 0.00 -1.26 -4.93 105.19 107.77 1wjm n GLY 42 Ca 0.45 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.04 -0.36 -0.28 1.61 1.04 -1.22 -4.16 113.70 107.30 1wjm s SER 43 Ca 0.01 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1wjm s SER 43 Cb -0.00 0.68 0.15 0.00 0.10 0.00 0.00 66.02 66.95 1wjm s SER 43 CO 0.04 -1.22 0.37 -0.22 0.98 0.00 0.00 173.24 173.19 1wjm s LEU 44 N -2.87 -0.61 0.16 2.42 2.96 -0.74 -1.89 118.68 118.10 1wjm s LEU 44 Ca 0.08 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1wjm s LEU 44 Cb -0.04 0.95 -0.03 0.00 0.50 0.00 0.00 46.19 47.57 1wjm s LEU 44 CO 0.00 -0.35 0.28 -0.83 -1.32 0.00 0.00 176.35 174.14 1wjm s GLY 45 N 2.50 1.67 -0.07 7.98 0.00 0.51 0.76 107.32 120.67 1wjm s GLY 45 Ca 0.10 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.80 1wjm s GLY 45 CO -0.27 -1.05 -0.16 -1.36 0.00 0.00 0.00 173.10 170.26 1wjm s PHE 46 N -1.76 2.67 0.12 1.90 0.08 -1.26 0.28 117.98 120.01 1wjm s PHE 46 Ca 0.34 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 1wjm s PHE 46 Cb -0.11 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 1wjm s PHE 46 CO 0.28 0.04 0.13 0.71 -0.10 0.00 0.00 175.22 176.28 1wjm s TYR 47 N -0.42 0.51 0.03 0.36 1.51 -0.67 -1.06 117.35 117.62 1wjm s TYR 47 Ca 0.05 -0.93 -0.10 0.00 -1.01 0.00 0.00 57.07 55.08 1wjm s TYR 47 Cb -0.12 -0.25 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 1wjm s TYR 47 CO 0.02 -0.56 1.16 -0.22 -1.11 0.00 0.00 175.55 174.85 1wjm h LYS 48 N 2.80 -0.25 -4.26 -0.62 3.64 -1.87 0.92 116.57 116.93 1wjm h LYS 48 Ca -0.34 0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 58.75 1wjm h LYS 48 Cb 1.20 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 1wjm h LYS 48 CO 0.57 -0.17 -0.24 0.16 -2.27 0.00 0.00 179.45 177.50 1wjm s ASP 49 N -2.99 1.09 0.58 4.20 1.47 -1.26 -3.36 116.67 116.40 1wjm s ASP 49 Ca -0.05 -1.55 0.39 0.00 1.18 0.00 0.00 52.55 52.51 1wjm s ASP 49 Cb 0.02 0.65 2.09 0.00 -0.34 0.00 0.00 42.92 45.34 1wjm s ASP 49 CO 0.18 -1.27 2.19 0.00 0.68 0.00 0.00 175.17 176.94 1wjm h ALA 50 N 2.10 1.00 0.00 2.11 0.00 -1.95 0.63 119.26 123.16 1wjm h ALA 50 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wjm h ALA 50 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wjm h ALA 50 CO 0.38 0.00 -0.51 0.87 0.00 0.00 0.00 179.25 179.99 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -1.99 -3.17 116.57 113.20 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 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1wjm h LYS 51 CO 0.00 0.00 -1.04 0.00 -1.08 0.00 0.00 179.45 177.33 1wjm n ALA 52 N -2.00 3.72 0.11 3.86 0.00 0.21 -3.75 120.51 122.65 1wjm n ALA 52 Ca 0.03 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1wjm n ALA 52 Cb 0.49 -0.92 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 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 2.67 -0.13 -0.70 0.00 0.00 -1.11 0.32 119.26 120.31 1wjm h ALA 53 Ca 0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 1wjm h ALA 53 Cb 0.67 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1wjm h ALA 53 CO 0.00 0.57 0.22 1.03 0.00 0.00 0.00 179.25 181.06 1wjm h SER 54 N -0.07 1.02 1.01 0.00 0.87 -1.70 -1.44 113.55 113.24 1wjm h SER 54 Ca -0.21 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1wjm h SER 54 Cb 1.96 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1wjm h SER 54 CO 0.23 0.96 -0.09 0.00 -0.53 0.00 0.00 176.83 177.40 1wjm h ALA 55 N 1.10 1.01 -1.60 6.23 0.00 -1.65 -3.47 119.26 120.89 1wjm h ALA 55 Ca 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wjm h ALA 55 Cb 0.31 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wjm h ALA 55 CO -0.01 0.11 -0.04 0.41 0.00 0.00 0.00 179.25 179.72 1wjm n GLY 56 N 0.11 0.71 3.30 0.00 0.00 -0.54 -5.03 105.19 103.73 1wjm n GLY 56 Ca 0.01 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1wjm n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wjm s VAL 57 N -3.02 4.47 0.02 1.61 1.01 0.11 -5.02 120.40 119.58 1wjm s VAL 57 Ca 0.02 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 1wjm s VAL 57 Cb -0.01 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1wjm s VAL 57 CO 0.04 -0.52 1.18 -2.16 0.00 0.00 0.00 175.10 173.65 1wjm s PRO 58 N 1.48 4.41 -0.25 2.72 0.04 -1.26 -4.16 135.00 137.99 1wjm s PRO 58 Ca 0.03 1.71 -0.38 0.00 0.04 0.00 0.00 61.00 62.40 1wjm s PRO 58 Cb -0.23 -3.43 -0.14 0.00 0.04 0.00 0.00 34.50 30.74 1wjm s PRO 58 CO 0.03 -0.30 1.84 0.98 0.04 0.00 0.00 177.00 179.58 1wjm n TYR 59 N 4.35 2.07 -1.68 0.56 9.36 -0.22 0.67 117.16 132.27 1wjm n TYR 59 Ca 0.09 0.37 -0.09 0.00 3.32 0.00 0.00 57.90 61.60 1wjm n TYR 59 Cb 0.47 -2.52 -0.03 0.00 -0.63 0.00 0.00 39.34 36.63 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 6.22 -0.90 -1.78 2.98 8.25 -1.26 0.18 115.22 128.90 1wjm n HIS 60 Ca 0.27 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.56 1wjm n HIS 60 Cb 0.18 -2.18 -0.05 0.00 1.12 0.00 0.00 29.99 29.06 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 -0.36 1.00 3.55 -1.41 0.00 0.21 -4.90 105.19 103.28 1wjm n GLY 61 Ca -0.10 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1wjm n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 62 N -3.93 2.98 1.02 1.61 2.02 0.46 -4.97 118.70 117.89 1wjm s GLU 62 Ca 0.00 -0.07 -0.23 0.00 0.02 0.00 0.00 54.97 54.69 1wjm s GLU 62 Cb 0.00 -4.50 -0.11 0.00 0.10 0.00 0.00 34.13 29.61 1wjm s GLU 62 CO 0.00 -2.49 -0.96 1.33 0.02 0.00 0.00 175.26 173.16 1wjm n VAL 63 N 6.89 0.00 -1.53 2.63 0.24 -1.26 -4.35 118.33 120.95 1wjm n VAL 63 Ca 0.17 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.34 62.00 1wjm n VAL 63 Cb 0.50 -0.16 0.14 0.00 -1.47 0.00 0.00 33.84 32.85 1wjm n VAL 63 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wjm s PRO 64 N -2.39 1.00 -0.12 7.34 0.04 -1.26 -4.66 135.00 134.95 1wjm s PRO 64 Ca 0.42 0.24 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 1wjm s PRO 64 Cb -0.02 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wjm s PRO 64 CO 0.70 -2.28 -0.06 0.14 0.04 0.00 0.00 177.00 175.54 1wjm s VAL 65 N -3.30 3.69 -0.01 -0.36 -7.23 0.23 -4.90 120.40 108.52 1wjm s VAL 65 Ca 0.65 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 1wjm s VAL 65 Cb -0.14 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1wjm s VAL 65 CO 0.53 0.54 1.05 -0.44 -0.31 0.00 0.00 175.10 176.47 1wjm s SER 66 N -0.05 7.25 -0.33 4.85 0.01 -1.26 -1.80 113.70 122.38 1wjm s SER 66 Ca 0.00 1.73 -0.02 0.00 1.31 0.00 0.00 55.95 58.98 1wjm s SER 66 Cb -0.13 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.70 1wjm s SER 66 CO 0.03 -0.37 2.18 0.18 0.41 0.00 0.00 173.24 175.67 1wjm n LEU 67 N 4.25 6.42 -4.53 2.44 4.77 -1.26 -4.80 117.00 124.29 1wjm n LEU 67 Ca 0.08 -3.40 -0.43 0.00 -0.03 0.00 0.00 56.01 52.22 1wjm n LEU 67 Cb 0.49 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1wjm n LEU 67 CO 0.53 1.32 0.71 0.00 -1.33 0.00 0.00 177.39 178.62 1wjm s ALA 68 N -1.69 3.19 -0.31 -1.18 0.00 -1.26 -3.50 121.76 117.00 1wjm s ALA 68 Ca 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1wjm s ALA 68 Cb 0.26 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1wjm s ALA 68 CO -0.04 -2.28 0.00 0.54 0.00 0.00 0.00 175.76 173.98 1wjm n ARG 69 N 7.29 -0.47 -1.85 0.00 5.12 -1.26 -4.64 116.66 120.85 1wjm n ARG 69 Ca 0.02 0.43 -0.29 0.00 -1.93 0.00 0.00 57.85 56.08 1wjm n ARG 69 Cb 0.48 -4.01 0.13 0.00 -1.16 0.00 0.00 32.46 27.89 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wjm s ALA 70 N -1.98 2.39 -0.04 7.54 0.00 -1.23 -4.27 121.76 124.17 1wjm s ALA 70 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 1wjm s ALA 70 Cb 0.00 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.23 1wjm s ALA 70 CO 0.00 -2.01 0.30 -0.65 0.00 0.00 0.00 175.76 173.40 1wjm s GLN 71 N -5.63 0.58 -0.20 0.00 -0.21 0.19 -4.96 119.66 109.43 1wjm s GLN 71 Ca 0.66 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.99 1wjm s GLN 71 Cb -0.09 0.26 0.04 0.00 1.00 0.00 0.00 33.01 34.21 1wjm s GLN 71 CO 0.51 -0.14 -0.15 0.20 -2.12 0.00 0.00 175.29 173.58 1wjm s GLY 72 N -0.98 1.41 0.28 3.09 0.00 -1.26 -0.95 107.32 108.91 1wjm s GLY 72 Ca -0.11 -1.34 0.11 0.00 0.00 0.00 0.00 44.72 43.39 1wjm s GLY 72 CO 0.03 0.48 -0.12 -0.45 0.00 0.00 0.00 173.10 173.04 1wjm s SER 73 N 1.28 3.96 -0.12 1.64 0.15 -0.46 -4.99 113.70 115.16 1wjm s SER 73 Ca -0.00 -0.89 -0.07 0.00 0.70 0.00 0.00 55.95 55.69 1wjm s SER 73 Cb -0.16 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1wjm s SER 73 CO -0.10 0.01 0.13 -0.69 1.20 0.00 0.00 173.24 173.80 1wjm s VAL 74 N -2.45 5.46 -1.13 4.45 1.01 -1.26 -0.56 120.40 125.92 1wjm s VAL 74 Ca 0.31 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1wjm s VAL 74 Cb -0.05 -3.37 0.27 0.00 0.00 0.00 0.00 36.38 33.23 1wjm s VAL 74 CO 0.17 0.62 1.39 0.00 0.00 0.00 0.00 175.10 177.28 1wjm n ALA 75 N 1.98 4.74 -1.01 5.51 0.00 0.60 -4.72 120.51 127.61 1wjm n ALA 75 Ca -0.20 -4.66 -0.31 0.00 0.00 0.00 0.00 53.44 48.27 1wjm n ALA 75 Cb 0.55 -2.52 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 1wjm n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wjm n PHE 76 N 2.47 0.47 -3.18 0.00 3.72 -1.26 -1.76 117.46 117.92 1wjm n PHE 76 Ca 0.28 0.32 -0.10 0.00 -0.05 0.00 0.00 57.45 57.89 1wjm n PHE 76 Cb 0.36 -1.65 0.01 0.00 -0.94 0.00 0.00 39.48 37.27 1wjm n PHE 76 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wjm n ASP 77 N 6.92 -6.60 -4.75 4.37 8.00 -1.26 -4.88 116.55 118.35 1wjm n ASP 77 Ca 0.45 0.42 -0.40 0.00 0.71 0.00 0.00 54.79 55.97 1wjm n ASP 77 Cb 0.01 -2.36 -0.05 0.00 -0.02 0.00 0.00 41.12 38.70 1wjm n ASP 77 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1wjm s TYR 78 N -1.30 3.73 -0.21 1.24 6.14 -0.72 -4.95 117.35 121.27 1wjm s TYR 78 Ca 0.11 1.43 -0.38 0.00 0.64 0.00 0.00 57.07 58.87 1wjm s TYR 78 Cb -0.01 -2.79 -0.17 0.00 0.42 0.00 0.00 41.96 39.40 1wjm s TYR 78 CO 0.38 0.29 1.16 2.89 0.64 0.00 0.00 175.55 180.90 1wjm n ARG 79 N 2.79 0.00 0.00 4.97 0.00 -1.26 -3.99 116.66 119.17 1wjm n ARG 79 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1wjm n ARG 79 Cb 0.50 -1.31 0.00 0.00 -0.00 0.00 0.00 32.46 31.65 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 2.37 0.00 -0.97 2.89 5.02 -1.26 -4.94 118.16 121.27 1wjm n LYS 80 Ca 0.22 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 1wjm n LYS 80 Cb 0.01 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.06 1wjm n LYS 80 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wjm n ARG 81 N 7.56 0.00 -3.99 1.97 5.12 -1.26 -4.98 116.66 121.09 1wjm n ARG 81 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 1wjm n ARG 81 Cb 0.00 -0.94 -0.03 0.00 -1.16 0.00 0.00 32.46 30.33 1wjm n ARG 81 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1wjm s LYS 82 N -1.78 2.28 -0.41 5.56 1.02 -1.26 -4.18 119.74 120.96 1wjm s LYS 82 Ca 0.39 -1.95 -0.35 0.00 0.02 0.00 0.00 55.97 54.08 1wjm s LYS 82 Cb -0.20 -2.05 0.05 0.00 -0.52 0.00 0.00 37.83 35.11 1wjm s LYS 82 CO 0.76 -0.41 0.60 0.72 -0.92 0.00 0.00 175.35 176.10 1wjm n HIS 83 N -1.56 -2.47 -3.84 3.18 -0.00 -1.26 -4.57 115.22 104.70 1wjm n HIS 83 Ca -0.03 1.04 -0.13 0.00 -0.00 0.00 0.00 57.72 58.60 1wjm n HIS 83 Cb 0.64 -1.76 -0.14 0.00 -0.00 0.00 0.00 29.99 28.73 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 -1.45 -0.01 -0.05 1.59 1.01 -1.26 -1.15 120.40 119.08 1wjm s VAL 84 Ca 0.35 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.43 1wjm s VAL 84 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1wjm s VAL 84 CO 0.79 0.02 -0.20 0.72 0.00 0.00 0.00 175.10 176.43 1wjm s PHE 85 N 0.27 2.00 -0.33 5.22 -0.71 -0.25 -0.29 117.98 123.89 1wjm s PHE 85 Ca -0.02 -0.58 -0.24 0.00 -1.04 0.00 0.00 56.93 55.05 1wjm s PHE 85 Cb -0.03 -1.33 0.01 0.00 -1.21 0.00 0.00 43.02 40.45 1wjm s PHE 85 CO -0.01 -0.19 0.81 0.21 -1.34 0.00 0.00 175.22 174.71 1wjm s LYS 86 N -0.05 3.89 -0.64 1.99 2.20 0.28 -2.48 119.74 124.93 1wjm s LYS 86 Ca -0.04 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.91 1wjm s LYS 86 Cb -0.12 -3.76 0.12 0.00 -1.51 0.00 0.00 37.83 32.56 1wjm s LYS 86 CO 0.03 -0.77 0.73 -1.17 -0.36 0.00 0.00 175.35 173.81 1wjm s LEU 87 N 3.07 5.60 -0.38 5.43 2.96 0.02 -1.36 118.68 134.03 1wjm s LEU 87 Ca 0.33 -1.67 -0.17 0.00 -0.22 0.00 0.00 54.13 52.40 1wjm s LEU 87 Cb -0.14 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1wjm s LEU 87 CO 0.15 -1.02 0.46 -0.83 -1.32 0.00 0.00 176.35 173.78 1wjm s GLY 88 N 3.46 1.86 0.00 7.98 0.00 -0.13 -1.60 107.32 118.89 1wjm s GLY 88 Ca 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1wjm s GLY 88 CO 0.03 1.18 0.00 1.04 0.00 0.00 0.00 173.10 175.35 1wjm n LEU 89 N 5.64 0.00 -1.02 0.66 4.77 0.20 0.56 117.00 127.81 1wjm n LEU 89 Ca -0.07 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1wjm n LEU 89 Cb 0.48 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 1wjm n LEU 89 CO 0.45 0.00 0.50 0.00 -1.33 0.00 0.00 177.39 177.01 1wjm n GLN 90 N 0.00 1.97 0.00 3.23 10.64 -1.26 -3.60 117.38 128.36 1wjm n GLN 90 Ca 0.00 -0.92 0.00 0.00 -1.83 0.00 0.00 57.00 54.25 1wjm n GLN 90 Cb 0.00 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 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 0.15 0.00 -0.91 2.61 -0.08 -1.26 -4.79 116.55 112.26 1wjm n ASP 91 Ca 0.10 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.46 1wjm n ASP 91 Cb 0.60 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.28 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 -2.00 1.31 3.60 0.27 0.00 -1.26 -3.92 105.19 103.19 1wjm n GLY 92 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.34 0.54 -0.04 1.61 1.02 -1.26 -0.65 119.74 119.60 1wjm s LYS 93 Ca 0.33 1.15 -0.00 0.00 0.02 0.00 0.00 55.97 57.46 1wjm s LYS 93 Cb 0.17 0.47 0.03 0.00 -0.52 0.00 0.00 37.83 37.98 1wjm s LYS 93 CO 0.22 -0.15 0.01 -2.00 -0.92 0.00 0.00 175.35 172.51 1wjm s GLU 94 N 2.23 0.37 0.18 1.68 2.56 -0.98 0.58 118.70 125.33 1wjm s GLU 94 Ca -0.07 0.12 0.10 0.00 0.00 0.00 0.00 54.97 55.12 1wjm s GLU 94 Cb -0.08 -0.65 -0.04 0.00 2.00 0.00 0.00 34.13 35.36 1wjm s GLU 94 CO -0.18 -0.21 -0.22 0.71 -0.56 0.00 0.00 175.26 174.80 1wjm s TYR 95 N 1.47 2.10 -0.32 5.30 1.51 -0.63 -2.21 117.35 124.57 1wjm s TYR 95 Ca -0.03 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1wjm s TYR 95 Cb -0.13 -1.04 0.06 0.00 -0.11 0.00 0.00 41.96 40.74 1wjm s TYR 95 CO -0.03 0.43 0.03 -0.51 -1.11 0.00 0.00 175.55 174.37 1wjm s LEU 96 N -2.67 4.14 -0.08 -1.29 1.43 -0.97 -0.80 118.68 118.44 1wjm s LEU 96 Ca 0.19 -1.45 -0.02 0.00 -1.03 0.00 0.00 54.13 51.82 1wjm s LEU 96 Cb -0.07 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1wjm s LEU 96 CO 0.09 -0.31 0.00 -0.36 0.23 0.00 0.00 176.35 176.00 1wjm s PHE 97 N 1.21 3.15 -0.18 0.29 0.08 -1.03 -1.79 117.98 119.70 1wjm s PHE 97 Ca -0.02 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 1wjm s PHE 97 Cb -0.20 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1wjm s PHE 97 CO -0.02 0.47 -0.14 -1.14 -0.10 0.00 0.00 175.22 174.28 1wjm s GLN 98 N -0.92 3.16 0.75 0.44 0.74 -1.19 -1.09 119.66 121.56 1wjm s GLN 98 Ca 0.14 -0.75 -0.07 0.00 0.05 0.00 0.00 55.36 54.73 1wjm s GLN 98 Cb -0.11 -2.71 0.11 0.00 1.10 0.00 0.00 33.01 31.39 1wjm s GLN 98 CO 0.03 -0.14 1.06 0.00 -0.55 0.00 0.00 175.29 175.68 1wjm s ALA 99 N 1.21 3.15 0.19 1.58 0.00 -0.30 -3.54 121.76 124.05 1wjm s ALA 99 Ca 0.02 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 50.83 1wjm s ALA 99 Cb -0.14 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.59 1wjm s ALA 99 CO -0.07 -1.54 1.43 1.57 0.00 0.00 0.00 175.76 177.15 1wjm h LYS 100 N -0.76 0.09 0.00 0.00 2.10 -1.85 -3.45 116.57 112.70 1wjm h LYS 100 Ca -0.42 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.11 1wjm h LYS 100 Cb 1.29 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1wjm h LYS 100 CO 0.50 0.86 0.15 -0.25 -2.00 0.00 0.00 179.45 178.71 1wjm n ASP 101 N -3.64 -1.32 0.27 7.07 8.00 -1.26 -5.01 116.55 120.66 1wjm n ASP 101 Ca -0.02 -1.95 0.13 0.00 0.71 0.00 0.00 54.79 53.66 1wjm n ASP 101 Cb 0.77 2.22 0.77 0.00 -0.02 0.00 0.00 41.12 44.86 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 0.00 0.00 -1.24 4.39 -1.93 -2.23 114.58 113.57 1wjm h GLU 102 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1wjm h GLU 102 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1wjm h GLU 102 CO 0.25 0.08 0.00 0.00 -1.16 0.00 0.00 179.01 178.18 1wjm n ALA 103 N -2.32 -0.19 -0.39 3.43 0.00 -1.26 -0.52 120.51 119.26 1wjm n ALA 103 Ca -0.02 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.77 1wjm n ALA 103 Cb 0.18 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.26 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 0.04 0.00 4.57 -1.95 0.19 114.58 117.44 1wjm h GLU 104 Ca 0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 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 0.01 -0.02 1.98 -1.18 0.00 0.00 179.01 179.79 1wjm h MET 105 N 0.01 -0.06 -0.97 1.92 4.05 -1.44 -1.89 114.93 116.55 1wjm h MET 105 Ca 0.86 0.00 0.28 0.00 -0.28 0.00 0.00 59.70 60.57 1wjm h MET 105 Cb 2.51 0.01 -0.18 0.00 -0.80 0.00 0.00 31.60 33.14 1wjm h MET 105 CO -0.63 -0.04 0.07 0.45 0.23 0.00 0.00 176.91 176.99 1wjm n SER 106 N -2.28 -0.07 0.23 1.39 2.88 0.33 0.76 113.62 116.86 1wjm n SER 106 Ca -0.01 1.65 -0.15 0.00 -1.33 0.00 0.00 58.87 59.03 1wjm n SER 106 Cb 0.02 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.79 1wjm n SER 106 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wjm h SER 107 N 0.00 -0.65 -0.54 -3.46 0.02 -0.76 -0.38 113.55 107.79 1wjm h SER 107 Ca 0.61 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.66 1wjm h SER 107 Cb 1.31 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.98 1wjm h SER 107 CO -0.90 -0.40 -0.42 -0.50 -1.14 0.00 0.00 176.83 173.47 1wjm h TRP 108 N -0.62 -1.33 -0.66 3.45 4.06 0.12 1.00 115.95 121.97 1wjm h TRP 108 Ca -0.04 0.08 0.13 0.00 2.06 0.00 0.00 58.89 61.13 1wjm h TRP 108 Cb 0.52 0.65 -0.13 0.00 -1.00 0.00 0.00 29.16 29.20 1wjm h TRP 108 CO -0.11 -0.31 -0.17 -0.07 -3.56 0.00 0.00 178.44 174.22 1wjm h LEU 109 N -0.13 -0.62 -1.63 -4.49 -0.00 -1.11 2.09 115.31 109.42 1wjm h LEU 109 Ca 0.09 0.20 0.08 0.00 -0.00 0.00 0.00 57.88 58.25 1wjm h LEU 109 Cb 0.36 0.41 -0.03 0.00 -0.00 0.00 0.00 40.66 41.40 1wjm h LEU 109 CO -0.57 -0.22 0.38 -0.09 -0.00 0.00 0.00 178.44 177.94 1wjm h ARG 110 N -0.00 0.42 0.00 1.13 2.43 0.17 0.41 114.38 118.94 1wjm h ARG 110 Ca 0.32 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1wjm h ARG 110 Cb 0.49 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1wjm h ARG 110 CO -0.68 0.28 -0.01 0.28 -1.51 0.00 0.00 179.97 178.33 1wjm h VAL 111 N 0.44 0.37 -1.04 0.20 2.07 0.84 -2.02 116.25 117.11 1wjm h VAL 111 Ca 0.26 -1.28 0.28 0.00 0.82 0.00 0.00 66.70 66.78 1wjm h VAL 111 Cb 0.44 0.71 -0.12 0.00 -1.52 0.00 0.00 31.29 30.80 1wjm h VAL 111 CO -0.07 0.13 0.63 0.58 0.02 0.00 0.00 177.57 178.86 1wjm h VAL 112 N -1.00 0.44 -0.17 2.57 2.07 0.31 1.38 116.25 121.85 1wjm h VAL 112 Ca -0.00 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 67.19 1wjm h VAL 112 Cb 0.21 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1wjm h VAL 112 CO -0.00 0.08 -0.62 0.78 0.02 0.00 0.00 177.57 177.83 1wjm h ASN 113 N 0.43 0.69 1.13 0.57 2.35 -0.27 0.18 115.58 120.66 1wjm h ASN 113 Ca 0.67 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1wjm h ASN 113 Cb 1.52 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.69 1wjm h ASN 113 CO -0.46 1.14 -0.00 0.00 -1.65 0.00 0.00 177.43 176.46 1wjm h ALA 114 N 0.86 1.00 0.07 -0.83 0.00 0.22 -2.19 119.26 118.39 1wjm h ALA 114 Ca -0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1wjm h ALA 114 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1wjm h ALA 114 CO 0.12 0.00 -1.38 0.00 0.00 0.00 0.00 179.25 178.00 1wjm h ALA 115 N 2.00 0.24 -0.11 0.00 0.00 0.10 -3.18 119.26 118.31 1wjm h ALA 115 Ca -0.00 -1.14 0.04 0.00 0.00 0.00 0.00 54.91 53.81 1wjm h ALA 115 Cb 0.57 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1wjm h ALA 115 CO 0.00 0.82 -0.21 0.82 0.00 0.00 0.00 179.25 180.67 1wjm h ILE 116 N -0.51 0.47 -0.96 0.00 2.04 -0.53 -0.23 117.51 117.79 1wjm h ILE 116 Ca -0.32 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.65 1wjm h ILE 116 Cb 1.61 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 1wjm h ILE 116 CO -0.03 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.71 1wjm h ALA 117 N 0.69 1.42 -0.30 1.87 0.00 -1.57 -1.42 119.26 119.95 1wjm h ALA 117 Ca 0.10 0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 1wjm h ALA 117 Cb 0.42 -0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 1wjm h ALA 117 CO -0.28 0.20 0.12 0.43 0.00 0.00 0.00 179.25 179.72 1wjm n SER 118 N -4.65 6.00 -1.16 0.00 7.64 -0.11 -4.88 113.62 116.46 1wjm n SER 118 Ca 0.17 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 57.16 1wjm n SER 118 Cb 0.33 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 119 N 1.60 1.68 3.57 0.23 0.00 -0.54 -4.13 105.19 107.60 1wjm n GLY 119 Ca 0.47 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1wjm n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wjm s PRO 120 N 0.25 3.17 0.53 1.61 0.04 -1.26 -4.95 135.00 134.39 1wjm s PRO 120 Ca 0.00 -1.18 -0.18 0.00 0.04 0.00 0.00 61.00 59.68 1wjm s PRO 120 Cb 0.00 -5.31 -0.14 0.00 0.04 0.00 0.00 34.50 29.08 1wjm s PRO 120 CO 0.00 -2.96 -0.09 0.45 0.04 0.00 0.00 177.00 174.44 1wjm n SER 121 N 11.37 -3.52 -0.07 6.66 2.88 -1.26 -4.91 113.62 124.76 1wjm n SER 121 Ca 0.42 0.65 -0.21 0.00 -1.33 0.00 0.00 58.87 58.40 1wjm n SER 121 Cb 0.48 -0.87 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 1wjm n SER 121 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wjm n SER 122 N 2.36 2.03 0.00 -3.46 7.64 -1.26 -5.27 113.62 115.66 1wjm n SER 122 Ca 0.08 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1wjm n SER 122 Cb 0.47 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64