#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 6.27 -0.22 1.61 0.15 -1.26 -4.99 113.70 115.27 1wjm s SER 2 Ca 0.00 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 55.72 1wjm s SER 2 Cb 0.00 -2.33 0.09 0.00 -1.71 0.00 0.00 66.02 62.07 1wjm s SER 2 CO 0.00 -0.95 0.83 -0.44 1.20 0.00 0.00 173.24 173.88 1wjm s SER 3 N 2.59 -0.61 0.00 5.45 0.01 -1.26 -5.09 113.70 114.79 1wjm s SER 3 Ca 0.20 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1wjm s SER 3 Cb -0.17 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.06 1wjm s SER 3 CO 0.15 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1wjm n GLY 4 N 1.98 1.22 3.63 3.44 0.00 -1.26 -5.03 105.19 109.17 1wjm n GLY 4 Ca -0.14 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 1wjm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wjm s SER 5 N -4.00 2.44 -1.12 1.61 0.15 -1.26 -4.93 113.70 106.60 1wjm s SER 5 Ca 0.00 1.92 -0.09 0.00 0.70 0.00 0.00 55.95 58.48 1wjm s SER 5 Cb 0.00 -2.46 0.27 0.00 -1.71 0.00 0.00 66.02 62.12 1wjm s SER 5 CO 0.00 -3.35 1.13 -0.44 1.20 0.00 0.00 173.24 171.78 1wjm s SER 6 N -2.72 7.31 0.28 5.45 0.01 -1.26 -4.95 113.70 117.82 1wjm s SER 6 Ca 0.67 -3.55 0.00 0.00 1.31 0.00 0.00 55.95 54.38 1wjm s SER 6 Cb -0.23 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1wjm s SER 6 CO 0.60 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1wjm n GLY 7 N 2.81 -3.11 3.47 3.44 0.00 -1.26 -4.72 105.19 105.81 1wjm n GLY 7 Ca 0.25 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.94 3.15 0.17 1.61 8.01 -1.26 -5.02 118.70 121.42 1wjm s GLU 8 Ca 0.00 -0.70 0.04 0.00 0.01 0.00 0.00 54.97 54.32 1wjm s GLU 8 Cb 0.00 -4.19 -0.04 0.00 -4.31 0.00 0.00 34.13 25.59 1wjm s GLU 8 CO 0.00 -1.77 0.20 1.14 0.01 0.00 0.00 175.26 174.84 1wjm s GLN 9 N 4.11 3.10 -0.25 1.61 0.00 -1.26 -4.67 119.66 122.30 1wjm s GLN 9 Ca 0.24 -0.79 -0.13 0.00 -0.00 0.00 0.00 55.36 54.69 1wjm s GLN 9 Cb -0.16 -2.76 0.08 0.00 0.00 0.00 0.00 33.01 30.18 1wjm s GLN 9 CO 0.12 0.49 0.59 1.41 0.00 0.00 0.00 175.29 177.90 1wjm s MET 10 N -3.22 0.58 -0.07 9.60 1.75 -1.17 -5.00 119.30 121.76 1wjm s MET 10 Ca 0.32 1.13 -0.03 0.00 -1.25 0.00 0.00 55.69 55.86 1wjm s MET 10 Cb -0.10 0.21 0.04 0.00 2.84 0.00 0.00 34.83 37.82 1wjm s MET 10 CO 0.25 -0.17 0.14 -1.83 -0.65 0.00 0.00 175.02 172.77 1wjm s GLU 11 N 1.82 0.04 -0.01 4.11 -1.05 -1.26 0.03 118.70 122.39 1wjm s GLU 11 Ca -0.09 0.48 -0.29 0.00 -0.15 0.00 0.00 54.97 54.93 1wjm s GLU 11 Cb -0.07 -0.26 0.10 0.00 -0.44 0.00 0.00 34.13 33.46 1wjm s GLU 11 CO -0.17 -0.26 0.89 0.20 0.95 0.00 0.00 175.26 176.86 1wjm s GLY 12 N 1.92 -0.46 0.10 -3.83 0.00 -0.74 -5.01 107.32 99.30 1wjm s GLY 12 Ca -0.01 1.02 -0.32 0.00 0.00 0.00 0.00 44.72 45.41 1wjm s GLY 12 CO -0.05 0.34 1.82 1.03 0.00 0.00 0.00 173.10 176.23 1wjm n MET 13 N -0.24 2.65 -3.82 2.90 2.81 -1.26 -2.23 117.12 117.92 1wjm n MET 13 Ca -0.09 0.97 -0.12 0.00 -1.81 0.00 0.00 57.70 56.65 1wjm n MET 13 Cb 0.62 -2.84 -0.09 0.00 -0.71 0.00 0.00 33.22 30.19 1wjm n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wjm s LEU 14 N 2.73 1.26 -0.71 4.03 1.02 -1.14 -4.70 118.68 121.17 1wjm s LEU 14 Ca 0.83 -0.12 -0.19 0.00 0.02 0.00 0.00 54.13 54.68 1wjm s LEU 14 Cb -0.53 0.94 0.12 0.00 0.02 0.00 0.00 46.19 46.75 1wjm s LEU 14 CO 0.39 -0.43 0.83 0.00 0.02 0.00 0.00 176.35 177.17 1wjm s ARG 16 N 2.46 3.78 -0.28 0.00 3.52 -1.14 -2.86 118.95 124.42 1wjm s ARG 16 Ca 0.18 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 1wjm s ARG 16 Cb -0.17 -3.80 0.08 0.00 -1.56 0.00 0.00 34.95 29.50 1wjm s ARG 16 CO 0.01 -0.81 -0.01 0.21 -0.81 0.00 0.00 175.30 173.90 1wjm s LYS 17 N 3.02 1.51 0.58 5.12 2.20 0.17 -3.85 119.74 128.48 1wjm s LYS 17 Ca 0.30 -1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 54.41 1wjm s LYS 17 Cb -0.13 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 1wjm s LYS 17 CO 0.16 -0.76 1.25 0.94 -0.36 0.00 0.00 175.35 176.58 1wjm n GLN 18 N 4.55 1.37 0.00 4.03 0.00 -1.26 -0.83 117.38 125.24 1wjm n GLN 18 Ca -0.06 0.51 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 1wjm n GLN 18 Cb 0.43 -2.46 0.00 0.00 0.00 0.00 0.00 30.24 28.21 1wjm n GLN 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1wjm n GLU 19 N -1.19 0.00 -4.02 3.69 -0.58 0.27 -4.75 120.64 114.06 1wjm n GLU 19 Ca 0.12 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 1wjm n GLU 19 Cb 0.46 -0.60 -0.13 0.00 -0.57 0.00 0.00 31.44 30.60 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 -1.97 0.31 -0.00 3.49 -1.94 -0.98 -3.71 119.30 114.50 1wjm s MET 20 Ca 0.00 -0.38 0.22 0.00 -1.71 0.00 0.00 55.69 53.81 1wjm s MET 20 Cb 0.00 -0.15 -0.17 0.00 2.01 0.00 0.00 34.83 36.52 1wjm s MET 20 CO 0.00 0.03 0.90 -1.91 -0.01 0.00 0.00 175.02 174.02 1wjm n GLU 21 N 2.29 0.10 0.00 2.03 2.13 0.21 -1.91 120.64 125.48 1wjm n GLU 21 Ca -0.18 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1wjm n GLU 21 Cb 0.57 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm n ALA 22 N -1.61 0.00 -1.47 4.31 0.00 -0.36 -4.54 120.51 116.84 1wjm n ALA 22 Ca 0.03 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.92 1wjm n ALA 22 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 1wjm n ALA 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wjm n PHE 23 N -0.17 1.61 -2.15 0.00 3.72 -1.24 0.17 117.46 119.40 1wjm n PHE 23 Ca 0.00 0.49 -0.14 0.00 -0.05 0.00 0.00 57.45 57.74 1wjm n PHE 23 Cb 0.00 -2.45 -0.01 0.00 -0.94 0.00 0.00 39.48 36.08 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 6.16 0.02 3.05 1.37 0.00 -1.26 -5.00 105.19 109.53 1wjm n GLY 24 Ca 0.41 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 1.61 0.03 1.61 2.36 0.46 -5.07 119.74 116.25 1wjm s LYS 25 Ca 0.00 -0.45 0.02 0.00 -2.55 0.00 0.00 55.97 53.00 1wjm s LYS 25 Cb 0.00 -1.37 -0.04 0.00 -1.05 0.00 0.00 37.83 35.38 1wjm s LYS 25 CO 0.00 0.09 0.03 -1.59 1.55 0.00 0.00 175.35 175.43 1wjm s LYS 26 N 0.44 2.81 0.05 4.03 -2.85 -1.26 -0.62 119.74 122.34 1wjm s LYS 26 Ca -0.10 -0.65 -0.31 0.00 -1.00 0.00 0.00 55.97 53.91 1wjm s LYS 26 Cb -0.14 -2.69 -0.07 0.00 -2.06 0.00 0.00 37.83 32.88 1wjm s LYS 26 CO 0.03 0.60 1.40 0.00 0.10 0.00 0.00 175.35 177.48 1wjm s ALA 27 N -1.21 3.58 0.00 0.59 0.00 -1.24 -4.51 121.76 118.97 1wjm s ALA 27 Ca 0.23 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1wjm s ALA 27 Cb -0.12 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1wjm s ALA 27 CO 0.15 -0.78 0.66 0.00 0.00 0.00 0.00 175.76 175.79 1wjm n ALA 28 N 4.76 -0.01 -3.66 0.00 0.00 -1.26 -3.77 120.51 116.57 1wjm n ALA 28 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 1wjm n ALA 28 Cb 0.43 0.30 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.92 5.48 -0.40 0.00 2.47 -1.26 -5.01 114.94 113.29 1wjm s ASN 29 Ca 0.00 -2.34 0.03 0.00 0.42 0.00 0.00 52.86 50.98 1wjm s ASN 29 Cb 0.00 -1.92 0.11 0.00 -1.45 0.00 0.00 41.25 38.00 1wjm s ASN 29 CO 0.00 -0.53 0.14 0.00 -3.72 0.00 0.00 177.10 172.99 1wjm s ARG 30 N 0.71 1.51 0.35 0.43 1.70 -1.25 -5.01 118.95 117.39 1wjm s ARG 30 Ca 0.11 -2.02 0.09 0.00 -0.47 0.00 0.00 55.73 53.45 1wjm s ARG 30 Cb -0.22 -3.00 -0.06 0.00 -0.57 0.00 0.00 34.95 31.10 1wjm s ARG 30 CO -0.03 -1.02 -0.08 -1.12 -1.08 0.00 0.00 175.30 171.97 1wjm s SER 31 N 0.57 3.81 -0.07 -2.89 0.01 -1.26 -4.76 113.70 109.11 1wjm s SER 31 Ca 0.13 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.93 1wjm s SER 31 Cb -0.22 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 1wjm s SER 31 CO -0.07 -0.21 1.60 0.26 0.41 0.00 0.00 173.24 175.23 1wjm s TRP 32 N -2.60 2.09 -0.05 2.43 0.52 -1.26 -4.62 118.94 115.45 1wjm s TRP 32 Ca 0.33 0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.73 1wjm s TRP 32 Cb 0.02 -3.86 0.03 0.00 -1.15 0.00 0.00 33.47 28.51 1wjm s TRP 32 CO 0.17 -3.56 0.11 -0.65 0.02 0.00 0.00 176.95 173.04 1wjm s GLN 33 N 3.98 0.06 -0.45 4.98 -0.21 -1.25 -5.06 119.66 121.70 1wjm s GLN 33 Ca 0.71 0.30 -0.27 0.00 0.02 0.00 0.00 55.36 56.12 1wjm s GLN 33 Cb -0.32 -0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.48 1wjm s GLN 33 CO 0.28 -0.15 2.11 -0.80 -2.12 0.00 0.00 175.29 174.61 1wjm s ASN 34 N 1.03 5.09 -0.13 5.90 -0.87 -1.26 -2.89 114.94 121.81 1wjm s ASN 34 Ca -0.08 1.03 0.01 0.00 -1.57 0.00 0.00 52.86 52.25 1wjm s ASN 34 Cb -0.11 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.63 1wjm s ASN 34 CO -0.05 -2.38 -0.16 -0.69 -2.57 0.00 0.00 177.10 171.25 1wjm s VAL 35 N 9.75 1.62 -0.35 1.60 1.01 -0.15 -4.79 120.40 129.09 1wjm s VAL 35 Ca 0.86 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1wjm s VAL 35 Cb -0.19 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 1wjm s VAL 35 CO 0.27 0.47 1.54 -0.47 0.00 0.00 0.00 175.10 176.91 1wjm s TYR 36 N 1.19 2.21 0.11 5.22 5.04 0.29 -2.88 117.35 128.53 1wjm s TYR 36 Ca -0.01 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 54.97 1wjm s TYR 36 Cb -0.14 -4.18 -0.07 0.00 0.35 0.00 0.00 41.96 37.92 1wjm s TYR 36 CO -0.06 -2.38 1.18 0.00 -1.34 0.00 0.00 175.55 172.95 1wjm s VAL 38 N 0.56 1.00 -0.12 0.00 1.01 0.18 -1.79 120.40 121.25 1wjm s VAL 38 Ca 0.56 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1wjm s VAL 38 Cb -0.30 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1wjm s VAL 38 CO 0.32 -0.37 0.15 -0.22 0.00 0.00 0.00 175.10 174.98 1wjm s LEU 39 N 1.60 4.39 0.00 3.92 2.96 0.10 0.14 118.68 131.79 1wjm s LEU 39 Ca 0.02 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1wjm s LEU 39 Cb -0.18 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1wjm s LEU 39 CO -0.14 0.40 0.00 -1.14 -1.32 0.00 0.00 176.35 174.15 1wjm n ARG 40 N 2.04 0.00 -0.94 1.98 0.63 -0.65 -3.03 116.66 116.69 1wjm n ARG 40 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1wjm n ARG 40 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1wjm n ARG 40 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1wjm n ARG 41 N -0.07 -0.96 -1.09 -0.14 0.63 -1.26 -1.59 116.66 112.18 1wjm n ARG 41 Ca 0.00 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1wjm n ARG 41 Cb 0.00 -4.11 0.00 0.00 0.45 0.00 0.00 32.46 28.80 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 -0.87 0.92 2.94 5.14 0.00 -1.26 -5.05 105.19 107.01 1wjm n GLY 42 Ca 0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 1wjm n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wjm s SER 43 N -2.61 0.90 -0.38 1.61 1.04 -0.62 -3.04 113.70 110.60 1wjm s SER 43 Ca 0.00 -0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.13 1wjm s SER 43 Cb 0.00 -0.29 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1wjm s SER 43 CO 0.00 0.02 0.42 -0.22 0.98 0.00 0.00 173.24 174.43 1wjm s LEU 44 N 0.39 4.63 -0.05 2.42 2.96 -0.74 -1.64 118.68 126.66 1wjm s LEU 44 Ca -0.05 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1wjm s LEU 44 Cb -0.09 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1wjm s LEU 44 CO 0.00 -0.47 0.09 -0.83 -1.32 0.00 0.00 176.35 173.82 1wjm s GLY 45 N 1.77 2.04 -0.10 7.98 0.00 0.38 0.00 107.32 119.39 1wjm s GLY 45 Ca 0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 44.03 1wjm s GLY 45 CO 0.13 -0.61 0.04 -1.36 0.00 0.00 0.00 173.10 171.30 1wjm s PHE 46 N -1.11 3.30 0.21 1.90 0.08 -1.26 0.50 117.98 121.60 1wjm s PHE 46 Ca 0.20 0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.45 1wjm s PHE 46 Cb -0.12 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1wjm s PHE 46 CO 0.10 0.55 0.36 0.71 -0.10 0.00 0.00 175.22 176.84 1wjm s TYR 47 N -0.93 0.53 0.02 0.36 1.51 -0.71 -3.47 117.35 114.66 1wjm s TYR 47 Ca 0.14 -0.86 -0.28 0.00 -1.01 0.00 0.00 57.07 55.06 1wjm s TYR 47 Cb -0.12 -0.03 -0.16 0.00 -0.11 0.00 0.00 41.96 41.55 1wjm s TYR 47 CO 0.03 -0.85 1.23 -0.22 -1.11 0.00 0.00 175.55 174.63 1wjm h LYS 48 N 2.40 -0.89 0.00 -0.62 3.64 -1.86 0.83 116.57 120.07 1wjm h LYS 48 Ca -0.30 0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 58.94 1wjm h LYS 48 Cb 1.24 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 33.22 1wjm h LYS 48 CO 0.42 -0.56 -0.06 -0.40 -2.27 0.00 0.00 179.45 176.58 1wjm n ASP 49 N -5.41 -1.32 0.20 4.20 5.68 -1.26 -3.64 116.55 115.00 1wjm n ASP 49 Ca -0.12 -2.60 0.14 0.00 -0.50 0.00 0.00 54.79 51.71 1wjm n ASP 49 Cb 0.38 2.40 0.71 0.00 -1.14 0.00 0.00 41.12 43.46 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wjm h ALA 50 N 1.96 1.00 0.00 2.12 0.00 -1.94 0.32 119.26 122.72 1wjm h ALA 50 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wjm h ALA 50 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wjm h ALA 50 CO 0.33 0.00 -0.71 0.87 0.00 0.00 0.00 179.25 179.74 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -1.99 -2.98 116.57 113.39 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 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1wjm h LYS 51 CO 0.00 0.00 -1.17 0.00 -1.08 0.00 0.00 179.45 177.20 1wjm n ALA 52 N -2.09 3.34 -0.02 3.86 0.00 0.95 -3.10 120.51 123.45 1wjm n ALA 52 Ca 0.02 -0.42 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 1wjm n ALA 52 Cb 0.52 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 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 2.45 0.07 -0.51 0.00 0.00 -1.11 1.31 119.26 121.46 1wjm h ALA 53 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 1wjm h ALA 53 Cb 0.78 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wjm h ALA 53 CO 0.00 0.44 -0.18 1.03 0.00 0.00 0.00 179.25 180.55 1wjm h SER 54 N -0.64 1.02 0.67 0.00 0.87 -1.69 -1.84 113.55 111.95 1wjm h SER 54 Ca -0.18 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1wjm h SER 54 Cb 1.43 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1wjm h SER 54 CO 0.02 1.17 0.00 0.00 -0.53 0.00 0.00 176.83 177.49 1wjm n ALA 55 N -2.51 1.82 -1.88 6.23 0.00 -1.18 -4.86 120.51 118.13 1wjm n ALA 55 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1wjm n ALA 55 Cb 0.44 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 0.34 0.34 3.54 0.00 0.00 -0.69 -4.99 105.19 103.73 1wjm n GLY 56 Ca 0.04 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.39 5.03 0.25 1.61 1.01 0.45 -4.99 120.40 121.37 1wjm s VAL 57 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1wjm s VAL 57 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1wjm s VAL 57 CO 0.00 -0.27 1.09 -2.16 0.00 0.00 0.00 175.10 173.76 1wjm s PRO 58 N 2.35 4.65 0.06 2.72 0.04 -1.26 -4.32 135.00 139.24 1wjm s PRO 58 Ca 0.17 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 1wjm s PRO 58 Cb -0.16 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1wjm s PRO 58 CO 0.14 0.20 1.28 -0.92 0.04 0.00 0.00 177.00 177.74 1wjm h TYR 59 N 4.14 -0.83 -0.69 0.56 3.20 -1.84 -3.23 116.97 118.28 1wjm h TYR 59 Ca -0.46 0.03 -0.47 0.00 3.14 0.00 0.00 58.73 60.97 1wjm h TYR 59 Cb 1.21 0.37 -0.42 0.00 1.54 0.00 0.00 36.73 39.43 1wjm h TYR 59 CO 0.60 -0.27 -0.90 0.72 -1.64 0.00 0.00 178.16 176.66 1wjm n HIS 60 N -4.02 2.36 -1.33 -3.82 8.25 -1.26 -4.88 115.22 110.53 1wjm n HIS 60 Ca -0.03 -2.23 -0.12 0.00 -0.26 0.00 0.00 57.72 55.08 1wjm n HIS 60 Cb 0.19 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 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 -0.67 1.17 3.73 -1.41 0.00 -1.22 -4.92 105.19 101.87 1wjm n GLY 61 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.98 4.71 0.84 1.61 2.02 -1.26 -5.05 118.70 118.60 1wjm s GLU 62 Ca 0.00 1.46 -0.12 0.00 0.02 0.00 0.00 54.97 56.33 1wjm s GLU 62 Cb 0.00 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.97 1wjm s GLU 62 CO 0.00 0.24 1.14 0.14 0.02 0.00 0.00 175.26 176.81 1wjm s VAL 63 N -0.14 2.26 0.35 2.63 -7.23 -1.26 -4.66 120.40 112.33 1wjm s VAL 63 Ca 0.46 0.08 -0.26 0.00 -1.81 0.00 0.00 61.98 60.45 1wjm s VAL 63 Cb -0.24 -2.94 -0.09 0.00 0.56 0.00 0.00 36.38 33.67 1wjm s VAL 63 CO 0.30 -0.11 1.07 -2.16 -0.31 0.00 0.00 175.10 173.89 1wjm s PRO 64 N -5.38 4.38 -0.19 4.82 0.04 -1.26 -4.68 135.00 132.73 1wjm s PRO 64 Ca 0.62 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 63.08 1wjm s PRO 64 Cb -0.13 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1wjm s PRO 64 CO 0.52 0.02 0.67 0.14 0.04 0.00 0.00 177.00 178.39 1wjm s VAL 65 N -1.44 4.99 0.12 -0.36 -7.23 0.10 -4.83 120.40 111.75 1wjm s VAL 65 Ca 0.52 1.29 -0.31 0.00 -1.81 0.00 0.00 61.98 61.66 1wjm s VAL 65 Cb -0.26 -3.99 -0.09 0.00 0.56 0.00 0.00 36.38 32.60 1wjm s VAL 65 CO 0.33 0.10 1.50 -0.94 -0.31 0.00 0.00 175.10 175.78 1wjm s SER 66 N 1.18 6.70 -0.28 4.85 1.04 -1.26 -1.78 113.70 124.15 1wjm s SER 66 Ca 0.31 2.44 0.04 0.00 0.48 0.00 0.00 55.95 59.21 1wjm s SER 66 Cb -0.16 -2.58 0.46 0.00 0.10 0.00 0.00 66.02 63.83 1wjm s SER 66 CO 0.11 -0.76 1.57 0.18 0.98 0.00 0.00 173.24 175.32 1wjm n LEU 67 N 4.35 5.30 -4.62 2.42 4.77 -1.17 -4.80 117.00 123.24 1wjm n LEU 67 Ca 0.13 -2.79 -0.43 0.00 -0.03 0.00 0.00 56.01 52.89 1wjm n LEU 67 Cb 0.41 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1wjm n LEU 67 CO 0.60 0.81 1.04 0.00 -1.33 0.00 0.00 177.39 178.52 1wjm s ALA 68 N -2.18 3.34 -1.01 -1.18 0.00 -1.26 -2.87 121.76 116.60 1wjm s ALA 68 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1wjm s ALA 68 Cb 0.31 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1wjm s ALA 68 CO 0.08 -1.83 0.00 0.54 0.00 0.00 0.00 175.76 174.55 1wjm n ARG 69 N 7.33 -0.84 -1.86 0.00 1.74 -1.26 -4.44 116.66 117.34 1wjm n ARG 69 Ca 0.13 0.80 -0.29 0.00 -0.77 0.00 0.00 57.85 57.72 1wjm n ARG 69 Cb 0.48 -4.75 0.11 0.00 -1.02 0.00 0.00 32.46 27.27 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 -2.27 2.46 -0.07 7.54 0.00 -1.14 -3.87 121.76 124.42 1wjm s ALA 70 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1wjm s ALA 70 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1wjm s ALA 70 CO 0.00 -1.90 -0.11 -0.65 0.00 0.00 0.00 175.76 173.10 1wjm s GLN 71 N -5.60 1.54 -0.25 0.00 -1.52 0.36 -4.89 119.66 109.29 1wjm s GLN 71 Ca 0.64 -0.35 0.01 0.00 -1.95 0.00 0.00 55.36 53.72 1wjm s GLN 71 Cb -0.10 -1.32 0.05 0.00 -0.22 0.00 0.00 33.01 31.41 1wjm s GLN 71 CO 0.50 -0.01 -0.10 0.20 -0.25 0.00 0.00 175.29 175.63 1wjm s GLY 72 N 0.78 1.63 0.08 3.09 0.00 -1.26 -0.35 107.32 111.29 1wjm s GLY 72 Ca -0.13 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 42.97 1wjm s GLY 72 CO 0.02 0.56 -0.05 -0.45 0.00 0.00 0.00 173.10 173.18 1wjm s SER 73 N 1.19 0.92 0.60 1.64 0.15 -0.33 -5.00 113.70 112.87 1wjm s SER 73 Ca -0.05 -1.01 -0.07 0.00 0.70 0.00 0.00 55.95 55.52 1wjm s SER 73 Cb -0.18 0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1wjm s SER 73 CO -0.05 -0.52 0.93 0.68 1.20 0.00 0.00 173.24 175.48 1wjm s VAL 74 N -3.73 3.88 -0.56 4.45 -7.23 -1.26 0.13 120.40 116.09 1wjm s VAL 74 Ca 0.11 0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.53 1wjm s VAL 74 Cb 0.06 -3.55 0.28 0.00 0.56 0.00 0.00 36.38 33.73 1wjm s VAL 74 CO -0.06 -0.60 0.74 0.00 -0.31 0.00 0.00 175.10 174.87 1wjm n ALA 75 N -2.62 3.70 0.26 1.32 0.00 0.82 -4.27 120.51 119.71 1wjm n ALA 75 Ca 0.04 -4.38 0.18 0.00 0.00 0.00 0.00 53.44 49.29 1wjm n ALA 75 Cb 0.57 -0.85 0.91 0.00 0.00 0.00 0.00 19.45 20.08 1wjm n ALA 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wjm h PHE 76 N 3.80 0.00 -0.18 0.00 0.04 -1.97 0.12 116.94 118.75 1wjm h PHE 76 Ca 0.15 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.97 1wjm h PHE 76 Cb 0.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1wjm h PHE 76 CO 0.65 0.00 0.15 -0.44 -0.60 0.00 0.00 178.31 178.07 1wjm h ASP 77 N 0.00 0.00 -3.48 2.17 5.19 -1.91 -3.38 116.42 115.02 1wjm h ASP 77 Ca 0.05 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.90 1wjm h ASP 77 Cb 0.35 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 1wjm h ASP 77 CO -0.00 0.00 0.95 -0.47 -3.12 0.00 0.00 179.24 176.60 1wjm s TYR 78 N -4.87 2.72 -0.12 4.55 6.14 0.41 -4.84 117.35 121.34 1wjm s TYR 78 Ca -0.05 0.57 0.07 0.00 0.64 0.00 0.00 57.07 58.30 1wjm s TYR 78 Cb 0.17 -4.47 -0.24 0.00 0.42 0.00 0.00 41.96 37.84 1wjm s TYR 78 CO 0.63 -1.42 0.36 0.54 0.64 0.00 0.00 175.55 176.30 1wjm n ARG 79 N 8.12 0.68 0.00 4.97 1.74 -1.26 -4.56 116.66 126.34 1wjm n ARG 79 Ca 0.10 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1wjm n ARG 79 Cb 0.49 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wjm n LYS 80 N -3.13 0.00 -3.22 5.56 4.76 -1.26 -4.20 118.16 116.67 1wjm n LYS 80 Ca -0.28 0.43 -0.41 0.00 -2.87 0.00 0.00 58.31 55.19 1wjm n LYS 80 Cb 1.06 -1.04 -0.07 0.00 -1.84 0.00 0.00 35.03 33.14 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 -1.17 3.86 0.87 1.97 3.00 -1.26 -5.05 118.95 121.17 1wjm s ARG 81 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 55.73 55.74 1wjm s ARG 81 Cb 0.00 -3.73 0.11 0.00 0.00 0.00 0.00 34.95 31.33 1wjm s ARG 81 CO 0.00 -0.51 1.09 0.15 0.00 0.00 0.00 175.30 176.04 1wjm s LYS 82 N 2.40 1.49 -0.92 3.54 -0.14 -1.26 -4.04 119.74 120.82 1wjm s LYS 82 Ca 0.21 1.04 -0.08 0.00 -1.36 0.00 0.00 55.97 55.78 1wjm s LYS 82 Cb -0.15 -1.82 -0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1wjm s LYS 82 CO 0.11 -2.14 0.71 0.72 -0.76 0.00 0.00 175.35 174.00 1wjm n HIS 83 N -3.84 -2.30 -3.96 3.18 -0.00 -1.26 -4.40 115.22 102.64 1wjm n HIS 83 Ca 0.08 0.79 -0.25 0.00 -0.00 0.00 0.00 57.72 58.34 1wjm n HIS 83 Cb 0.54 -3.46 -0.17 0.00 -0.00 0.00 0.00 29.99 26.90 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 -3.17 0.87 0.15 1.59 1.01 -1.26 0.12 120.40 119.71 1wjm s VAL 84 Ca 0.18 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.07 1wjm s VAL 84 Cb -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1wjm s VAL 84 CO 0.83 0.33 -0.25 0.72 0.00 0.00 0.00 175.10 176.73 1wjm s PHE 85 N 1.61 2.32 -0.12 5.22 -0.71 -0.63 -0.13 117.98 125.55 1wjm s PHE 85 Ca 0.02 -0.37 -0.09 0.00 -1.04 0.00 0.00 56.93 55.45 1wjm s PHE 85 Cb -0.13 -1.23 -0.04 0.00 -1.21 0.00 0.00 43.02 40.41 1wjm s PHE 85 CO -0.06 0.39 0.20 0.21 -1.34 0.00 0.00 175.22 174.62 1wjm s LYS 86 N -2.24 3.71 -0.31 1.99 2.20 0.34 -1.88 119.74 123.54 1wjm s LYS 86 Ca 0.16 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1wjm s LYS 86 Cb -0.09 -3.25 0.09 0.00 -1.51 0.00 0.00 37.83 33.06 1wjm s LYS 86 CO 0.07 0.64 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.53 1wjm s LEU 87 N -0.69 4.30 -0.35 5.43 2.96 0.97 -1.18 118.68 130.12 1wjm s LEU 87 Ca 0.16 -1.88 -0.13 0.00 -0.22 0.00 0.00 54.13 52.05 1wjm s LEU 87 Cb -0.13 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1wjm s LEU 87 CO 0.05 -0.31 0.25 -0.83 -1.32 0.00 0.00 176.35 174.18 1wjm s GLY 88 N 0.98 1.97 0.90 7.98 0.00 0.52 0.04 107.32 119.72 1wjm s GLY 88 Ca 0.04 -1.40 -0.13 0.00 0.00 0.00 0.00 44.72 43.23 1wjm s GLY 88 CO -0.07 0.79 1.15 1.08 0.00 0.00 0.00 173.10 176.06 1wjm s LEU 89 N 1.73 2.09 0.24 0.66 1.43 0.59 0.13 118.68 125.56 1wjm s LEU 89 Ca 0.06 0.89 0.25 0.00 -1.03 0.00 0.00 54.13 54.31 1wjm s LEU 89 Cb -0.17 -3.22 0.89 0.00 0.03 0.00 0.00 46.19 43.71 1wjm s LEU 89 CO 0.11 -2.48 1.75 0.00 0.23 0.00 0.00 176.35 175.95 1wjm n GLN 90 N -3.71 0.25 -0.54 1.70 10.64 -1.25 -2.46 117.38 122.00 1wjm n GLN 90 Ca 0.07 0.32 0.02 0.00 -1.83 0.00 0.00 57.00 55.58 1wjm n GLN 90 Cb 0.60 -1.85 0.22 0.00 -0.86 0.00 0.00 30.24 28.34 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 -2.30 3.68 -2.27 2.61 2.03 -1.26 -4.84 116.55 114.20 1wjm n ASP 91 Ca 0.04 -2.58 -0.17 0.00 0.52 0.00 0.00 54.79 52.60 1wjm n ASP 91 Cb 0.35 -0.62 0.02 0.00 -0.72 0.00 0.00 41.12 40.15 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 0.26 -0.25 3.39 0.27 0.00 -1.03 -4.00 105.19 103.84 1wjm n GLY 92 Ca 0.18 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.32 3.09 -0.16 1.61 2.20 -1.23 -1.23 119.74 118.70 1wjm s LYS 93 Ca 0.19 -0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 54.85 1wjm s LYS 93 Cb -0.09 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1wjm s LYS 93 CO 0.24 -0.52 0.07 -1.21 -0.36 0.00 0.00 175.35 173.56 1wjm s GLU 94 N 1.56 3.78 0.16 4.03 2.02 -0.80 0.22 118.70 129.67 1wjm s GLU 94 Ca 0.03 -0.32 0.06 0.00 0.02 0.00 0.00 54.97 54.76 1wjm s GLU 94 Cb -0.18 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1wjm s GLU 94 CO 0.05 0.40 -0.13 0.71 0.02 0.00 0.00 175.26 176.32 1wjm s TYR 95 N 0.01 1.46 -0.13 1.61 2.02 0.11 0.94 117.35 123.37 1wjm s TYR 95 Ca 0.06 -0.64 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1wjm s TYR 95 Cb -0.12 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.74 1wjm s TYR 95 CO 0.01 0.20 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.54 1wjm s LEU 96 N -3.03 1.65 -0.08 -1.29 1.43 -0.01 -0.02 118.68 117.33 1wjm s LEU 96 Ca 0.17 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1wjm s LEU 96 Cb -0.01 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.10 1wjm s LEU 96 CO 0.03 -0.04 -0.19 -0.36 0.23 0.00 0.00 176.35 176.03 1wjm s PHE 97 N 1.35 2.05 -0.26 0.29 0.08 -0.79 0.41 117.98 121.12 1wjm s PHE 97 Ca 0.01 -0.81 -0.09 0.00 0.12 0.00 0.00 56.93 56.17 1wjm s PHE 97 Cb -0.13 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1wjm s PHE 97 CO -0.08 -0.35 0.11 -1.14 -0.10 0.00 0.00 175.22 173.67 1wjm s GLN 98 N 0.47 3.73 0.75 0.44 0.74 -1.13 -1.61 119.66 123.05 1wjm s GLN 98 Ca -0.17 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 54.72 1wjm s GLN 98 Cb -0.17 -3.44 0.08 0.00 1.10 0.00 0.00 33.01 30.58 1wjm s GLN 98 CO 0.06 -0.20 1.08 0.00 -0.55 0.00 0.00 175.29 175.69 1wjm s ALA 99 N 1.66 2.98 -0.06 1.58 0.00 0.33 -3.42 121.76 124.83 1wjm s ALA 99 Ca 0.06 -0.91 0.21 0.00 0.00 0.00 0.00 51.96 51.32 1wjm s ALA 99 Cb -0.15 -2.68 0.52 0.00 0.00 0.00 0.00 23.12 20.80 1wjm s ALA 99 CO 0.06 -1.49 1.65 1.57 0.00 0.00 0.00 175.76 177.55 1wjm h LYS 100 N -0.79 0.00 0.00 0.00 2.10 -1.84 -3.44 116.57 112.59 1wjm h LYS 100 Ca -0.44 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.30 1wjm h LYS 100 Cb 1.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1wjm h LYS 100 CO 0.59 0.29 0.35 -0.25 -2.00 0.00 0.00 179.45 178.43 1wjm n ASP 101 N -3.28 -1.05 0.23 7.07 8.00 -1.26 -4.99 116.55 121.27 1wjm n ASP 101 Ca 0.01 -1.56 0.06 0.00 0.71 0.00 0.00 54.79 54.02 1wjm n ASP 101 Cb 0.56 1.71 0.53 0.00 -0.02 0.00 0.00 41.12 43.91 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 0.16 -1.24 5.08 -1.93 -2.34 114.58 114.31 1wjm h GLU 102 Ca -0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1wjm h GLU 102 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1wjm h GLU 102 CO 0.22 0.16 -0.08 0.00 -1.00 0.00 0.00 179.01 178.31 1wjm h ALA 103 N 1.84 -0.56 -0.94 3.43 0.00 -1.98 -0.83 119.26 120.22 1wjm h ALA 103 Ca -0.00 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.10 1wjm h ALA 103 Cb 0.28 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.98 1wjm h ALA 103 CO 0.02 -0.55 -0.05 -1.91 0.00 0.00 0.00 179.25 176.76 1wjm n GLU 104 N -3.01 -0.08 0.02 0.00 4.07 -1.19 -0.58 120.64 119.87 1wjm n GLU 104 Ca -0.03 1.42 -0.01 0.00 -0.06 0.00 0.00 57.16 58.49 1wjm n GLU 104 Cb 0.08 -2.22 -0.00 0.00 -0.06 0.00 0.00 31.44 29.24 1wjm n GLU 104 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1wjm h MET 105 N 0.00 -0.04 -0.77 5.31 4.05 -1.47 -1.54 114.93 120.47 1wjm h MET 105 Ca 0.54 0.00 0.20 0.00 -0.28 0.00 0.00 59.70 60.16 1wjm h MET 105 Cb 1.04 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.70 1wjm h MET 105 CO -0.91 -0.03 -0.02 0.45 0.23 0.00 0.00 176.91 176.63 1wjm n SER 106 N -2.14 -0.13 0.10 1.39 2.88 -0.32 0.21 113.62 115.62 1wjm n SER 106 Ca -0.01 1.31 -0.12 0.00 -1.33 0.00 0.00 58.87 58.72 1wjm n SER 106 Cb 0.02 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.37 -0.09 -3.46 0.02 -0.78 0.20 113.55 109.07 1wjm h SER 107 Ca 0.45 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1wjm h SER 107 Cb 0.88 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1wjm h SER 107 CO -0.74 -0.21 -0.21 -0.50 -1.14 0.00 0.00 176.83 174.03 1wjm h TRP 108 N -0.29 -0.64 -0.88 3.45 4.06 0.35 1.07 115.95 123.06 1wjm h TRP 108 Ca 0.01 0.03 0.19 0.00 2.06 0.00 0.00 58.89 61.18 1wjm h TRP 108 Cb 0.29 0.29 -0.16 0.00 -1.00 0.00 0.00 29.16 28.58 1wjm h TRP 108 CO -0.14 -0.20 -0.12 -0.07 -3.56 0.00 0.00 178.44 174.35 1wjm h LEU 109 N -0.20 -0.65 -1.21 -4.49 -0.00 -1.10 2.43 115.31 110.11 1wjm h LEU 109 Ca 0.02 0.25 0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1wjm h LEU 109 Cb 0.25 0.49 -0.04 0.00 -0.00 0.00 0.00 40.66 41.36 1wjm h LEU 109 CO -0.19 -0.28 0.54 -0.09 -0.00 0.00 0.00 178.44 178.42 1wjm h ARG 110 N 0.02 1.02 0.17 1.13 2.43 0.12 0.36 114.38 119.64 1wjm h ARG 110 Ca 0.46 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1wjm h ARG 110 Cb 0.78 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1wjm h ARG 110 CO -0.86 0.68 -0.08 0.28 -1.51 0.00 0.00 179.97 178.48 1wjm h VAL 111 N 1.05 0.02 -1.12 0.20 2.07 1.05 -1.76 116.25 117.76 1wjm h VAL 111 Ca 0.32 -0.84 0.32 0.00 0.82 0.00 0.00 66.70 67.32 1wjm h VAL 111 Cb -0.02 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 29.68 1wjm h VAL 111 CO -0.09 0.01 0.72 0.58 0.02 0.00 0.00 177.57 178.81 1wjm h VAL 112 N -1.06 0.38 -0.20 2.57 2.07 0.34 1.58 116.25 121.93 1wjm h VAL 112 Ca -0.02 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1wjm h VAL 112 Cb 0.18 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1wjm h VAL 112 CO 0.04 0.05 -0.60 0.78 0.02 0.00 0.00 177.57 177.86 1wjm h ASN 113 N 0.29 0.76 0.67 0.57 2.35 -0.33 0.46 115.58 120.35 1wjm h ASN 113 Ca 0.68 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1wjm h ASN 113 Cb 1.86 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 40.01 1wjm h ASN 113 CO -0.36 1.19 0.00 0.00 -1.65 0.00 0.00 177.43 176.60 1wjm h ALA 114 N 0.82 1.00 0.08 -0.83 0.00 0.31 -0.59 119.26 120.04 1wjm h ALA 114 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1wjm h ALA 114 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1wjm h ALA 114 CO 0.12 0.00 -2.11 0.00 0.00 0.00 0.00 179.25 177.26 1wjm n ALA 115 N -1.88 1.09 0.28 0.00 0.00 0.51 -3.38 120.51 117.13 1wjm n ALA 115 Ca 0.01 -0.75 -0.16 0.00 0.00 0.00 0.00 53.44 52.54 1wjm n ALA 115 Cb 0.21 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 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 0.05 0.43 -0.56 0.00 2.04 -0.45 -3.00 117.51 116.01 1wjm h ILE 116 Ca -0.46 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.25 1wjm h ILE 116 Cb 2.01 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 38.54 1wjm h ILE 116 CO 0.04 0.04 0.12 0.00 0.00 0.00 0.00 178.15 178.35 1wjm h ALA 117 N -0.50 0.65 0.00 1.87 0.00 -1.32 -1.91 119.26 118.05 1wjm h ALA 117 Ca -0.07 0.12 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 1wjm h ALA 117 Cb 0.61 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1wjm h ALA 117 CO 0.12 -0.30 1.44 0.43 0.00 0.00 0.00 179.25 180.94 1wjm n SER 118 N -5.12 6.42 -0.86 0.00 7.64 -1.13 -4.82 113.62 115.75 1wjm n SER 118 Ca 0.08 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1wjm n SER 118 Cb 0.29 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 119 N 3.00 4.36 3.64 0.23 0.00 -0.72 -4.82 105.19 110.89 1wjm n GLY 119 Ca 0.56 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 0.22 3.97 1.16 1.61 0.04 -1.26 -5.00 135.00 135.73 1wjm s PRO 120 Ca 0.00 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 1wjm s PRO 120 Cb 0.00 -3.87 0.28 0.00 0.04 0.00 0.00 34.50 30.95 1wjm s PRO 120 CO 0.00 -1.05 1.03 0.45 0.04 0.00 0.00 177.00 177.47 1wjm s SER 121 N 2.77 1.01 0.00 6.66 0.15 -1.26 -3.49 113.70 119.55 1wjm s SER 121 Ca 0.58 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.71 1wjm s SER 121 Cb -0.19 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1wjm s SER 121 CO 0.22 -4.18 0.00 -0.24 1.20 0.00 0.00 173.24 170.24 1wjm n SER 122 N -4.90 0.00 0.00 5.45 2.88 -1.26 -5.22 113.62 110.57 1wjm n SER 122 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wjm n SER 122 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42