#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj n GLN 9 N 0.00 0.00 -3.80 -0.52 1.13 -1.24 -5.00 117.38 107.95 2wbj n GLN 9 Ca 0.00 0.33 -0.35 0.00 -1.94 0.00 0.00 57.00 55.05 2wbj n GLN 9 Cb 0.00 -0.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.63 2wbj n GLN 9 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wbj s ALA 10 N 0.00 3.87 -0.11 -1.58 0.00 -0.92 -4.91 121.76 118.11 2wbj s ALA 10 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2wbj s ALA 10 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 2wbj s ALA 10 CO 0.00 0.66 -0.09 -0.48 0.00 0.00 0.00 175.76 175.85 2wbj s LEU 11 N -1.70 2.99 -0.03 0.00 2.34 -1.26 -0.41 118.68 120.61 2wbj s LEU 11 Ca 0.26 -0.17 -0.01 0.00 0.06 0.00 0.00 54.13 54.28 2wbj s LEU 11 Cb -0.13 -1.67 0.03 0.00 -0.56 0.00 0.00 46.19 43.86 2wbj s LEU 11 CO 0.15 0.25 0.03 -0.55 -1.06 0.00 0.00 176.35 175.17 2wbj s SER 12 N -0.16 0.60 -0.02 1.48 0.15 -0.42 -4.98 113.70 110.35 2wbj s SER 12 Ca 0.01 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.72 2wbj s SER 12 Cb -0.13 -0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 2wbj s SER 12 CO 0.03 -0.16 -0.09 -0.63 1.20 0.00 0.00 173.24 173.58 2wbj s ILE 13 N 1.47 0.79 0.00 6.45 1.09 -1.26 -1.44 121.20 128.29 2wbj s ILE 13 Ca -0.04 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 2wbj s ILE 13 Cb -0.13 -0.68 0.00 0.00 -1.06 0.00 0.00 42.46 40.59 2wbj s ILE 13 CO -0.03 0.24 0.00 0.00 -0.10 0.00 0.00 174.94 175.05 2wbj n GLN 14 N 3.09 0.00 0.00 2.79 10.64 -0.82 -5.01 117.38 128.07 2wbj n GLN 14 Ca -0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 2wbj n GLN 14 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 2wbj n GLN 14 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2wbj n GLU 15 N 0.00 0.00 -0.81 2.61 -0.58 -1.26 -0.28 120.64 120.32 2wbj n GLU 15 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 2wbj n GLU 15 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 2wbj n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wbj n GLY 16 N 3.50 0.67 1.77 0.62 0.00 -1.26 -4.43 105.19 106.05 2wbj n GLY 16 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2wbj n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wbj n GLU 17 N 0.15 0.56 -2.45 1.61 1.02 -1.26 -3.85 120.64 116.41 2wbj n GLU 17 Ca 0.01 -1.33 -0.41 0.00 -0.02 0.00 0.00 57.16 55.41 2wbj n GLU 17 Cb 0.83 -0.20 -0.04 0.00 -0.02 0.00 0.00 31.44 32.01 2wbj n GLU 17 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2wbj s ASN 18 N -2.74 7.20 -0.20 1.62 0.02 -1.23 -3.29 114.94 116.32 2wbj s ASN 18 Ca 0.29 2.19 -0.03 0.00 -1.02 0.00 0.00 52.86 54.30 2wbj s ASN 18 Cb -0.02 -2.61 -0.00 0.00 0.02 0.00 0.00 41.25 38.63 2wbj s ASN 18 CO 0.19 -0.25 -0.08 0.00 0.02 0.00 0.00 177.10 176.98 2wbj s ALA 19 N -0.44 2.71 -0.18 0.60 0.00 0.26 -5.01 121.76 119.69 2wbj s ALA 19 Ca 0.49 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2wbj s ALA 19 Cb -0.31 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.27 2wbj s ALA 19 CO 0.37 -0.32 -0.16 -0.08 0.00 0.00 0.00 175.76 175.57 2wbj s THR 20 N 1.28 2.46 -0.01 0.00 -1.32 -1.26 -1.10 115.64 115.69 2wbj s THR 20 Ca 0.03 -0.82 0.07 0.00 -1.21 0.00 0.00 61.69 59.76 2wbj s THR 20 Cb -0.14 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 68.78 2wbj s THR 20 CO -0.04 0.51 -0.21 -0.04 -2.21 0.00 0.00 174.62 172.63 2wbj s MET 21 N 1.18 1.68 0.16 7.08 -1.94 -0.24 -4.97 119.30 122.24 2wbj s MET 21 Ca 0.02 -0.79 0.09 0.00 -1.71 0.00 0.00 55.69 53.30 2wbj s MET 21 Cb -0.14 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 2wbj s MET 21 CO -0.07 0.45 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.43 2wbj s ASN 22 N -0.60 3.97 -0.29 3.03 0.02 -1.26 -0.52 114.94 119.29 2wbj s ASN 22 Ca 0.08 -0.62 0.01 0.00 -1.02 0.00 0.00 52.86 51.31 2wbj s ASN 22 Cb -0.08 -0.57 0.18 0.00 0.02 0.00 0.00 41.25 40.80 2wbj s ASN 22 CO -0.00 0.14 0.55 0.00 0.02 0.00 0.00 177.10 177.80 2wbj s SER 24 N 2.78 6.13 0.06 0.00 1.04 -1.26 -1.65 113.70 120.80 2wbj s SER 24 Ca 0.15 0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.67 2wbj s SER 24 Cb -0.13 -1.71 0.01 0.00 0.10 0.00 0.00 66.02 64.28 2wbj s SER 24 CO -0.23 -0.36 0.21 -0.72 0.98 0.00 0.00 173.24 173.13 2wbj s TYR 25 N -2.25 0.06 -0.46 5.02 -0.85 -0.99 -4.49 117.35 113.38 2wbj s TYR 25 Ca 0.41 -0.34 0.23 0.00 -0.52 0.00 0.00 57.07 56.85 2wbj s TYR 25 Cb -0.10 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.18 2wbj s TYR 25 CO 0.34 -0.49 0.91 1.63 -1.52 0.00 0.00 175.55 176.42 2wbj n LYS 26 N 0.40 0.39 -4.30 -3.49 4.76 -1.26 -4.84 118.16 109.81 2wbj n LYS 26 Ca -0.17 -0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.08 2wbj n LYS 26 Cb 0.60 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 2wbj n LYS 26 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wbj s THR 27 N -3.27 1.12 0.54 -0.18 -4.23 -1.26 -5.14 115.64 103.21 2wbj s THR 27 Ca 0.01 -2.05 -0.20 0.00 -1.18 0.00 0.00 61.69 58.26 2wbj s THR 27 Cb 0.14 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 2wbj s THR 27 CO 0.83 -0.49 1.18 -0.55 -0.54 0.00 0.00 174.62 175.04 2wbj s SER 28 N -3.26 5.65 0.26 3.99 0.15 -1.26 -4.97 113.70 114.26 2wbj s SER 28 Ca 0.24 2.32 0.06 0.00 0.70 0.00 0.00 55.95 59.26 2wbj s SER 28 Cb 0.04 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 2wbj s SER 28 CO 0.06 -1.27 -0.04 -0.63 1.20 0.00 0.00 173.24 172.55 2wbj s ILE 29 N -1.62 1.45 0.10 6.45 1.09 -1.26 -1.81 121.20 125.60 2wbj s ILE 29 Ca 0.72 -2.10 0.00 0.00 -1.10 0.00 0.00 60.65 58.17 2wbj s ILE 29 Cb -0.28 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.72 2wbj s ILE 29 CO 0.32 -0.32 0.00 0.59 -0.10 0.00 0.00 174.94 175.43 2wbj n ASN 30 N -0.52 0.66 -4.41 3.58 5.03 -0.91 -4.43 115.26 114.26 2wbj n ASN 30 Ca -0.05 0.15 -0.32 0.00 0.87 0.00 0.00 54.58 55.23 2wbj n ASN 30 Cb 0.63 -0.15 -0.14 0.00 -1.02 0.00 0.00 39.78 39.10 2wbj n ASN 30 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2wbj s ASN 31 N -5.57 3.65 -0.09 6.41 0.01 -1.26 -0.63 114.94 117.46 2wbj s ASN 31 Ca 0.00 -0.30 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2wbj s ASN 31 Cb 0.00 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 41.00 2wbj s ASN 31 CO 0.00 0.33 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.54 2wbj s LEU 32 N -0.66 1.77 -0.09 0.60 2.96 -0.26 -2.48 118.68 120.52 2wbj s LEU 32 Ca 0.10 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2wbj s LEU 32 Cb -0.10 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 2wbj s LEU 32 CO 0.00 0.05 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.76 2wbj s GLN 33 N 0.74 2.91 -0.03 1.98 -0.21 0.40 -1.00 119.66 124.44 2wbj s GLN 33 Ca -0.12 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.25 2wbj s GLN 33 Cb -0.16 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.49 2wbj s GLN 33 CO 0.03 0.27 0.43 -1.58 -2.12 0.00 0.00 175.29 172.32 2wbj s TRP 34 N 0.12 3.67 0.10 0.91 0.52 -0.19 0.06 118.94 124.14 2wbj s TRP 34 Ca -0.11 0.97 0.07 0.00 0.02 0.00 0.00 56.10 57.05 2wbj s TRP 34 Cb -0.16 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.75 2wbj s TRP 34 CO 0.06 0.50 -0.18 0.71 0.02 0.00 0.00 176.95 178.07 2wbj s TYR 35 N -0.59 1.55 0.11 -1.98 2.02 0.18 -0.87 117.35 117.77 2wbj s TYR 35 Ca 0.24 -0.45 0.09 0.00 -0.37 0.00 0.00 57.07 56.59 2wbj s TYR 35 Cb -0.16 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 2wbj s TYR 35 CO 0.13 0.15 -0.20 -0.98 -1.57 0.00 0.00 175.55 173.08 2wbj s ARG 36 N -1.95 1.77 -0.01 -0.62 1.70 -0.58 -0.60 118.95 118.66 2wbj s ARG 36 Ca 0.04 -1.17 -0.01 0.00 -0.47 0.00 0.00 55.73 54.12 2wbj s ARG 36 Cb -0.09 -2.09 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 2wbj s ARG 36 CO 0.04 0.49 0.03 -1.14 -1.08 0.00 0.00 175.30 173.63 2wbj s GLN 37 N -2.00 0.03 0.00 3.89 0.74 0.03 -1.18 119.66 121.17 2wbj s GLN 37 Ca 0.17 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.62 2wbj s GLN 37 Cb -0.10 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.02 2wbj s GLN 37 CO 0.08 -0.01 0.00 0.09 -0.55 0.00 0.00 175.29 174.91 2wbj n ASN 38 N 3.10 0.00 -3.55 6.67 3.02 -1.26 -0.17 115.26 123.07 2wbj n ASN 38 Ca -0.13 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.27 2wbj n ASN 38 Cb 0.59 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 2wbj n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2wbj s SER 39 N -1.00 -0.53 0.00 6.41 1.04 -1.26 -4.53 113.70 113.83 2wbj s SER 39 Ca 0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2wbj s SER 39 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2wbj s SER 39 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2wbj n GLY 40 N 0.60 0.19 0.00 7.32 0.00 -1.26 -4.37 105.19 107.67 2wbj n GLY 40 Ca -0.19 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2wbj n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbj n ARG 41 N 0.00 0.00 0.00 1.61 1.74 -1.26 -5.02 116.66 113.73 2wbj n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wbj n ARG 41 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wbj n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wbj n GLY 42 N 3.76 1.84 1.19 -0.13 0.00 -1.26 -4.71 105.19 105.88 2wbj n GLY 42 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2wbj n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wbj n LEU 43 N 0.00 -1.59 -4.34 0.99 7.99 -1.20 -4.97 117.00 113.87 2wbj n LEU 43 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.64 2wbj n LEU 43 Cb 0.00 -0.80 -0.14 0.00 -0.11 0.00 0.00 43.42 42.38 2wbj n LEU 43 CO 0.00 0.00 -0.35 -0.69 -1.51 0.00 0.00 177.39 174.84 2wbj s VAL 44 N -0.52 3.60 0.18 4.08 1.01 -0.33 -4.99 120.40 123.44 2wbj s VAL 44 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2wbj s VAL 44 Cb 0.00 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2wbj s VAL 44 CO 0.00 0.36 1.42 -2.28 0.00 0.00 0.00 175.10 174.60 2wbj s HIS 45 N 1.50 3.15 -0.17 5.22 2.46 -1.26 -1.52 115.29 124.67 2wbj s HIS 45 Ca 0.05 0.97 -0.12 0.00 0.47 0.00 0.00 55.06 56.43 2wbj s HIS 45 Cb -0.15 -3.75 -0.07 0.00 -0.13 0.00 0.00 32.58 28.48 2wbj s HIS 45 CO -0.01 -2.56 -0.27 1.28 -2.47 0.00 0.00 174.74 170.71 2wbj n LEU 46 N 3.22 1.57 -3.52 8.88 4.32 -0.05 -4.95 117.00 126.47 2wbj n LEU 46 Ca 0.09 0.26 -0.12 0.00 -0.02 0.00 0.00 56.01 56.23 2wbj n LEU 46 Cb 0.41 -0.62 -0.04 0.00 -1.62 0.00 0.00 43.42 41.55 2wbj n LEU 46 CO 0.59 0.12 0.63 -0.51 -1.22 0.00 0.00 177.39 177.00 2wbj s ILE 47 N -2.49 0.00 -0.04 -0.08 2.07 -1.22 -5.02 121.20 114.42 2wbj s ILE 47 Ca -0.26 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.00 2wbj s ILE 47 Cb 0.08 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.68 2wbj s ILE 47 CO 0.35 0.00 -0.08 -1.48 -1.91 0.00 0.00 174.94 171.81 2wbj s LEU 48 N -1.80 1.64 -0.02 8.50 -0.00 -1.26 -1.02 118.68 124.73 2wbj s LEU 48 Ca -0.01 -0.19 0.04 0.00 -0.00 0.00 0.00 54.13 53.97 2wbj s LEU 48 Cb -0.01 -0.58 -0.03 0.00 -0.00 0.00 0.00 46.19 45.58 2wbj s LEU 48 CO -0.02 0.03 -0.14 -0.51 -0.00 0.00 0.00 176.35 175.71 2wbj s ILE 49 N 0.47 3.10 0.26 1.48 2.07 -0.17 -4.98 121.20 123.41 2wbj s ILE 49 Ca -0.08 -0.84 0.08 0.00 -1.41 0.00 0.00 60.65 58.40 2wbj s ILE 49 Cb -0.12 -2.26 -0.04 0.00 0.13 0.00 0.00 42.46 40.18 2wbj s ILE 49 CO 0.01 0.50 0.16 -0.13 -1.91 0.00 0.00 174.94 173.57 2wbj s ARG 50 N -1.01 2.79 0.00 3.50 0.52 -1.26 -1.10 118.95 122.39 2wbj s ARG 50 Ca 0.13 -1.13 0.10 0.00 -0.52 0.00 0.00 55.73 54.31 2wbj s ARG 50 Cb -0.11 -2.48 0.53 0.00 0.52 0.00 0.00 34.95 33.41 2wbj s ARG 50 CO 0.03 0.39 1.18 -1.13 0.02 0.00 0.00 175.30 175.78 2wbj n SER 51 N -1.13 0.00 -0.01 0.23 3.41 0.20 -0.78 113.62 115.54 2wbj n SER 51 Ca -0.07 0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2wbj n SER 51 Cb 0.58 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 64.16 2wbj n SER 51 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wbj n ASN 52 N -1.23 0.67 -4.90 4.04 2.04 -1.26 -4.98 115.26 109.64 2wbj n ASN 52 Ca 0.05 -0.09 -0.32 0.00 -0.44 0.00 0.00 54.58 53.79 2wbj n ASN 52 Cb 0.07 1.79 -0.05 0.00 -2.53 0.00 0.00 39.78 39.06 2wbj n ASN 52 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2wbj s GLU 53 N -3.27 3.63 -0.18 -3.83 2.02 0.04 -5.02 118.70 112.08 2wbj s GLU 53 Ca -0.06 -0.07 -0.00 0.00 0.02 0.00 0.00 54.97 54.86 2wbj s GLU 53 Cb 0.12 -2.85 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 2wbj s GLU 53 CO 0.79 0.47 -0.17 -2.13 0.02 0.00 0.00 175.26 174.23 2wbj n ARG 54 N 0.11 0.45 -4.39 1.61 0.63 -1.26 -4.68 116.66 109.13 2wbj n ARG 54 Ca -0.02 0.11 -0.19 0.00 -0.92 0.00 0.00 57.85 56.83 2wbj n ARG 54 Cb 0.52 -1.34 -0.14 0.00 0.45 0.00 0.00 32.46 31.94 2wbj n ARG 54 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2wbj s GLU 55 N -2.36 0.82 -0.15 -0.14 2.56 -1.26 -0.70 118.70 117.46 2wbj s GLU 55 Ca -0.25 -0.47 -0.07 0.00 0.00 0.00 0.00 54.97 54.18 2wbj s GLU 55 Cb 0.07 -0.79 0.06 0.00 2.00 0.00 0.00 34.13 35.47 2wbj s GLU 55 CO 0.41 0.21 0.35 0.21 -0.56 0.00 0.00 175.26 175.88 2wbj s LYS 56 N -0.51 0.30 -0.11 4.30 2.20 -0.83 -5.00 119.74 120.09 2wbj s LYS 56 Ca 0.03 0.76 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 2wbj s LYS 56 Cb -0.05 0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.26 2wbj s LYS 56 CO -0.00 -0.19 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.07 2wbj s HIS 57 N 1.72 2.75 -0.28 4.03 5.65 -1.26 -1.23 115.29 126.68 2wbj s HIS 57 Ca -0.07 -0.62 -0.00 0.00 0.25 0.00 0.00 55.06 54.62 2wbj s HIS 57 Cb -0.10 -1.79 0.17 0.00 -1.18 0.00 0.00 32.58 29.68 2wbj s HIS 57 CO -0.11 -0.18 0.49 0.45 -0.65 0.00 0.00 174.74 174.75 2wbj s SER 58 N 0.17 -0.61 1.57 9.88 0.15 -0.73 -5.04 113.70 119.09 2wbj s SER 58 Ca -0.08 0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2wbj s SER 58 Cb -0.15 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 2wbj s SER 58 CO 0.05 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2wbj n GLY 59 N 5.40 2.42 0.25 9.45 0.00 -1.26 -1.78 105.19 119.66 2wbj n GLY 59 Ca -0.01 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.83 2wbj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbj n ARG 60 N 13.13 0.99 -3.64 1.61 1.74 -1.26 -4.92 116.66 124.31 2wbj n ARG 60 Ca 0.00 -0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 56.24 2wbj n ARG 60 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 2wbj n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wbj s LEU 61 N -2.35 4.35 -0.10 0.55 1.43 -0.74 -2.51 118.68 119.31 2wbj s LEU 61 Ca 0.30 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.04 2wbj s LEU 61 Cb 0.20 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.55 2wbj s LEU 61 CO 0.46 0.19 0.23 -0.60 0.23 0.00 0.00 176.35 176.86 2wbj s ARG 62 N -1.92 0.22 -0.14 1.70 3.52 0.03 -1.77 118.95 120.59 2wbj s ARG 62 Ca 0.32 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2wbj s ARG 62 Cb -0.14 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 2wbj s ARG 62 CO 0.18 -0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.45 2wbj s VAL 63 N 0.81 2.38 0.03 7.11 1.01 -0.36 -0.35 120.40 131.03 2wbj s VAL 63 Ca -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2wbj s VAL 63 Cb -0.07 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2wbj s VAL 63 CO -0.05 0.54 0.24 -0.89 0.00 0.00 0.00 175.10 174.94 2wbj s THR 64 N 0.67 5.35 -0.04 3.92 2.01 -0.17 -1.96 115.64 125.41 2wbj s THR 64 Ca -0.09 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.84 2wbj s THR 64 Cb -0.16 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.79 2wbj s THR 64 CO 0.02 0.26 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.94 2wbj s LEU 65 N -2.11 1.31 -0.43 4.42 2.96 0.12 -1.90 118.68 123.05 2wbj s LEU 65 Ca 0.31 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 2wbj s LEU 65 Cb -0.13 -0.45 0.13 0.00 0.50 0.00 0.00 46.19 46.25 2wbj s LEU 65 CO 0.21 -0.06 0.23 -0.62 -1.32 0.00 0.00 176.35 174.79 2wbj s ASP 66 N 0.94 3.67 0.00 3.68 3.68 -0.67 -4.66 116.67 123.32 2wbj s ASP 66 Ca -0.11 -2.57 0.16 0.00 2.13 0.00 0.00 52.55 52.16 2wbj s ASP 66 Cb -0.14 -1.03 0.69 0.00 -1.45 0.00 0.00 42.92 40.99 2wbj s ASP 66 CO -0.00 -0.28 1.49 0.35 0.13 0.00 0.00 175.17 176.86 2wbj n THR 67 N 3.62 0.86 0.02 1.71 -2.24 -1.26 -1.93 114.28 115.06 2wbj n THR 67 Ca 0.08 0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.95 2wbj n THR 67 Cb 0.35 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 2wbj n THR 67 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wbj h SER 68 N 0.00 0.01 -0.70 3.42 0.02 -1.94 -3.24 113.55 111.12 2wbj h SER 68 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2wbj h SER 68 Cb 0.24 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2wbj h SER 68 CO 0.00 0.15 0.00 1.17 -1.14 0.00 0.00 176.83 177.01 2wbj n LYS 69 N -5.02 3.08 -3.95 3.45 3.00 -0.81 -4.98 118.16 112.93 2wbj n LYS 69 Ca -0.07 -2.73 -0.40 0.00 -0.00 0.00 0.00 58.31 55.10 2wbj n LYS 69 Cb 0.09 -1.67 0.02 0.00 0.00 0.00 0.00 35.03 33.47 2wbj n LYS 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2wbj n LYS 70 N 1.45 -0.62 -3.71 1.64 5.02 -0.86 -4.89 118.16 116.19 2wbj n LYS 70 Ca 0.25 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.68 2wbj n LYS 70 Cb 0.71 -2.82 -0.09 0.00 -0.02 0.00 0.00 35.03 32.80 2wbj n LYS 70 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wbj s SER 71 N -3.43 -0.51 0.19 4.39 0.15 -1.17 -2.35 113.70 110.97 2wbj s SER 71 Ca 0.41 0.97 0.11 0.00 0.70 0.00 0.00 55.95 58.13 2wbj s SER 71 Cb -0.21 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2wbj s SER 71 CO 0.94 -0.17 -0.19 -0.55 1.20 0.00 0.00 173.24 174.46 2wbj s SER 72 N 0.42 3.69 -0.04 5.45 0.15 -0.66 -1.67 113.70 121.05 2wbj s SER 72 Ca -0.01 -0.78 0.05 0.00 0.70 0.00 0.00 55.95 55.90 2wbj s SER 72 Cb -0.04 -0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 2wbj s SER 72 CO -0.01 0.11 -0.19 -0.44 1.20 0.00 0.00 173.24 173.90 2wbj s SER 73 N -2.75 2.39 -0.28 5.45 0.01 -0.80 -2.20 113.70 115.52 2wbj s SER 73 Ca 0.22 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 2wbj s SER 73 Cb -0.08 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.58 2wbj s SER 73 CO 0.12 0.19 0.05 -0.22 0.41 0.00 0.00 173.24 173.79 2wbj s LEU 74 N -0.11 3.69 -0.31 2.44 1.98 0.32 -1.00 118.68 125.69 2wbj s LEU 74 Ca -0.01 -0.71 -0.09 0.00 -2.89 0.00 0.00 54.13 50.43 2wbj s LEU 74 Cb -0.11 -1.84 -0.00 0.00 0.66 0.00 0.00 46.19 44.90 2wbj s LEU 74 CO 0.02 -0.17 0.13 -0.22 -1.89 0.00 0.00 176.35 174.22 2wbj s LEU 75 N 1.47 4.06 -0.17 -0.68 2.96 0.53 -1.08 118.68 125.77 2wbj s LEU 75 Ca 0.02 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2wbj s LEU 75 Cb -0.17 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 2wbj s LEU 75 CO 0.01 -0.20 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.28 2wbj s ILE 76 N 1.58 3.67 -0.26 6.68 1.10 -0.26 -0.79 121.20 132.92 2wbj s ILE 76 Ca 0.04 -0.42 -0.13 0.00 -0.51 0.00 0.00 60.65 59.63 2wbj s ILE 76 Cb -0.17 -2.62 -0.14 0.00 0.15 0.00 0.00 42.46 39.68 2wbj s ILE 76 CO 0.05 0.47 -0.24 1.07 -2.11 0.00 0.00 174.94 174.18 2wbj n THR 77 N 3.90 1.53 -3.53 4.00 5.66 -1.05 -0.58 114.28 124.22 2wbj n THR 77 Ca -0.18 -0.37 -0.32 0.00 -3.05 0.00 0.00 64.05 60.13 2wbj n THR 77 Cb 0.52 -1.84 -0.07 0.00 -1.55 0.00 0.00 70.33 67.39 2wbj n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wbj n ALA 78 N -3.97 4.02 -2.02 1.79 0.00 -1.26 -3.51 120.51 115.56 2wbj n ALA 78 Ca -0.50 -4.68 -0.43 0.00 0.00 0.00 0.00 53.44 47.84 2wbj n ALA 78 Cb 0.88 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2wbj n ALA 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wbj s SER 79 N -1.47 6.50 0.67 0.00 1.04 -1.21 -5.00 113.70 114.24 2wbj s SER 79 Ca 0.32 2.00 -0.09 0.00 0.48 0.00 0.00 55.95 58.66 2wbj s SER 79 Cb 0.03 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.64 2wbj s SER 79 CO -0.06 -1.10 1.02 -0.13 0.98 0.00 0.00 173.24 173.95 2wbj s ARG 80 N 4.40 2.72 0.22 4.02 0.52 -1.26 -4.43 118.95 125.14 2wbj s ARG 80 Ca 0.74 0.18 -0.08 0.00 -0.52 0.00 0.00 55.73 56.05 2wbj s ARG 80 Cb -0.30 -2.12 0.23 0.00 0.52 0.00 0.00 34.95 33.27 2wbj s ARG 80 CO 0.30 -0.99 1.87 0.00 0.02 0.00 0.00 175.30 176.50 2wbj h ALA 81 N -0.51 1.05 0.00 2.13 0.00 -1.89 -2.75 119.26 117.29 2wbj h ALA 81 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wbj h ALA 81 Cb 1.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wbj h ALA 81 CO 0.62 0.35 0.00 0.00 0.00 0.00 0.00 179.25 180.22 2wbj n ALA 82 N -2.33 2.05 1.31 0.00 0.00 -1.26 -2.31 120.51 117.97 2wbj n ALA 82 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.67 2wbj n ALA 82 Cb 0.08 -1.00 0.49 0.00 0.00 0.00 0.00 19.45 19.01 2wbj n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wbj n ASP 83 N -0.45 0.76 -4.68 0.00 8.00 -1.04 -4.91 116.55 114.23 2wbj n ASP 83 Ca 0.00 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 2wbj n ASP 83 Cb 0.01 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 2wbj n ASP 83 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wbj s THR 84 N -2.50 3.24 -0.07 -3.53 2.01 -0.98 -4.90 115.64 108.92 2wbj s THR 84 Ca 0.26 0.57 -0.31 0.00 0.31 0.00 0.00 61.69 62.52 2wbj s THR 84 Cb 0.20 -3.37 0.12 0.00 0.01 0.00 0.00 72.50 69.46 2wbj s THR 84 CO 0.50 -0.02 1.38 0.00 -0.69 0.00 0.00 174.62 175.79 2wbj s ALA 85 N 3.09 -2.55 0.08 7.40 0.00 -1.04 -4.91 121.76 123.84 2wbj s ALA 85 Ca 0.74 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 53.08 2wbj s ALA 85 Cb -0.37 0.53 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 2wbj s ALA 85 CO 0.32 -1.10 0.62 -1.12 0.00 0.00 0.00 175.76 174.47 2wbj s SER 86 N -3.36 7.13 -0.17 0.00 0.01 0.77 -0.73 113.70 117.34 2wbj s SER 86 Ca 0.21 1.34 0.01 0.00 1.31 0.00 0.00 55.95 58.82 2wbj s SER 86 Cb 0.04 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.90 2wbj s SER 86 CO -0.05 0.23 -0.19 -0.31 0.41 0.00 0.00 173.24 173.33 2wbj s TYR 87 N -0.97 2.67 0.14 2.43 1.51 0.88 -0.79 117.35 123.22 2wbj s TYR 87 Ca 0.31 -1.54 0.09 0.00 -1.01 0.00 0.00 57.07 54.92 2wbj s TYR 87 Cb -0.20 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2wbj s TYR 87 CO 0.20 -0.76 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.61 2wbj s PHE 88 N 1.25 1.93 -0.03 2.71 0.40 0.23 -1.71 117.98 122.76 2wbj s PHE 88 Ca 0.03 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2wbj s PHE 88 Cb -0.13 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.39 2wbj s PHE 88 CO -0.11 0.31 -0.11 0.00 0.70 0.00 0.00 175.22 176.01 2wbj s ALA 90 N 0.13 1.81 -0.02 0.00 0.00 0.11 -1.04 121.76 122.75 2wbj s ALA 90 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2wbj s ALA 90 Cb -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2wbj s ALA 90 CO 0.01 0.41 0.05 0.95 0.00 0.00 0.00 175.76 177.17 2wbj s THR 91 N -0.79 -0.02 -0.05 0.00 -4.23 -0.76 -0.45 115.64 109.34 2wbj s THR 91 Ca 0.08 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 2wbj s THR 91 Cb -0.09 -0.08 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 2wbj s THR 91 CO 0.02 0.03 0.28 1.51 -0.54 0.00 0.00 174.62 175.91 2wbj s ASP 92 N 0.34 6.60 0.05 3.99 1.47 -1.03 -1.08 116.67 127.00 2wbj s ASP 92 Ca -0.03 0.71 -0.22 0.00 1.18 0.00 0.00 52.55 54.19 2wbj s ASP 92 Cb -0.04 -2.16 -0.06 0.00 -0.34 0.00 0.00 42.92 40.32 2wbj s ASP 92 CO -0.01 0.35 0.66 0.42 0.68 0.00 0.00 175.17 177.27 2wbj s THR 93 N -1.09 4.75 0.30 2.11 -4.23 -1.26 -2.15 115.64 114.07 2wbj s THR 93 Ca 0.21 1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 61.85 2wbj s THR 93 Cb -0.14 -4.01 -0.09 0.00 1.34 0.00 0.00 72.50 69.60 2wbj s THR 93 CO 0.10 0.44 1.11 0.28 -0.54 0.00 0.00 174.62 176.01 2wbj s THR 94 N -0.46 3.46 -1.33 3.99 -1.32 -0.75 -2.87 115.64 116.36 2wbj s THR 94 Ca 0.33 1.42 0.00 0.00 -1.21 0.00 0.00 61.69 62.23 2wbj s THR 94 Cb -0.20 -3.88 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 2wbj s THR 94 CO 0.20 0.30 0.00 -1.20 -2.21 0.00 0.00 174.62 171.71 2wbj n SER 95 N 0.97 -4.49 0.00 8.08 7.64 -1.26 -4.92 113.62 119.63 2wbj n SER 95 Ca -0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2wbj n SER 95 Cb 0.45 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 2wbj n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wbj n GLY 96 N -1.11 5.13 1.28 0.23 0.00 -1.14 -5.16 105.19 104.41 2wbj n GLY 96 Ca -0.16 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 2wbj n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wbj n THR 97 N 0.00 0.00 0.62 2.61 -2.24 -1.26 -5.00 114.28 109.01 2wbj n THR 97 Ca 0.00 -0.44 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2wbj n THR 97 Cb 0.00 -1.48 0.43 0.00 -2.10 0.00 0.00 70.33 67.18 2wbj n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wbj n TYR 98 N -2.18 0.84 -1.79 4.78 4.01 -1.26 -4.70 117.16 116.87 2wbj n TYR 98 Ca 0.05 0.26 -0.41 0.00 -0.16 0.00 0.00 57.90 57.64 2wbj n TYR 98 Cb 0.19 -0.92 -0.01 0.00 -0.31 0.00 0.00 39.34 38.29 2wbj n TYR 98 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2wbj s LYS 99 N -3.13 4.12 -0.15 -0.72 -2.85 -1.26 -4.90 119.74 110.85 2wbj s LYS 99 Ca 0.10 2.57 -0.14 0.00 -1.00 0.00 0.00 55.97 57.50 2wbj s LYS 99 Cb 0.12 -3.01 -0.05 0.00 -2.06 0.00 0.00 37.83 32.84 2wbj s LYS 99 CO 0.56 -0.60 0.29 0.71 0.10 0.00 0.00 175.35 176.41 2wbj s TYR 100 N -0.30 3.47 -0.09 1.78 2.02 -1.26 -4.21 117.35 118.76 2wbj s TYR 100 Ca 0.60 0.61 -0.00 0.00 -0.37 0.00 0.00 57.07 57.91 2wbj s TYR 100 Cb -0.47 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 2wbj s TYR 100 CO 0.52 0.26 -0.07 0.96 -1.57 0.00 0.00 175.55 175.65 2wbj s ILE 101 N 0.38 3.68 -0.15 2.71 -4.36 -0.24 -4.83 121.20 118.38 2wbj s ILE 101 Ca 0.17 -0.47 -0.22 0.00 -0.26 0.00 0.00 60.65 59.86 2wbj s ILE 101 Cb -0.13 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 2wbj s ILE 101 CO 0.04 0.57 0.69 -0.36 0.24 0.00 0.00 174.94 176.12 2wbj s PHE 102 N -0.49 3.44 1.09 1.37 0.40 -1.26 -1.83 117.98 120.70 2wbj s PHE 102 Ca 0.07 1.08 -0.13 0.00 -0.60 0.00 0.00 56.93 57.36 2wbj s PHE 102 Cb -0.12 -2.84 0.24 0.00 0.51 0.00 0.00 43.02 40.81 2wbj s PHE 102 CO 0.02 -0.10 1.06 0.20 0.70 0.00 0.00 175.22 177.10 2wbj s GLY 103 N 1.06 1.55 0.48 4.36 0.00 -0.21 -5.01 107.32 109.55 2wbj s GLY 103 Ca 0.33 -0.30 -0.21 0.00 0.00 0.00 0.00 44.72 44.54 2wbj s GLY 103 CO 0.13 0.38 1.12 -1.08 0.00 0.00 0.00 173.10 173.64 2wbj s THR 104 N -2.75 3.33 0.43 0.90 -1.32 -1.26 -4.68 115.64 110.29 2wbj s THR 104 Ca 0.67 0.91 0.07 0.00 -1.21 0.00 0.00 61.69 62.13 2wbj s THR 104 Cb -0.21 -3.42 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 2wbj s THR 104 CO 0.61 -0.10 0.30 -0.83 -2.21 0.00 0.00 174.62 172.39 2wbj s GLY 105 N -1.63 2.24 -0.09 6.08 0.00 -1.26 -4.74 107.32 107.92 2wbj s GLY 105 Ca 0.67 -1.92 0.04 0.00 0.00 0.00 0.00 44.72 43.51 2wbj s GLY 105 CO 0.29 -1.80 -0.22 -0.51 0.00 0.00 0.00 173.10 170.85 2wbj s THR 106 N -2.55 1.91 -0.15 0.90 -4.23 -0.70 -2.17 115.64 108.66 2wbj s THR 106 Ca 0.44 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.77 2wbj s THR 106 Cb -0.00 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 2wbj s THR 106 CO 0.25 0.53 0.80 -0.60 -0.54 0.00 0.00 174.62 175.06 2wbj s ARG 107 N 0.35 4.32 -0.12 3.99 3.52 0.46 -0.08 118.95 131.39 2wbj s ARG 107 Ca -0.17 0.98 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 2wbj s ARG 107 Cb -0.17 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 2wbj s ARG 107 CO 0.08 -0.24 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.03 2wbj s LEU 108 N 1.86 2.75 -0.19 -0.88 2.96 0.09 -1.30 118.68 123.96 2wbj s LEU 108 Ca 0.38 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2wbj s LEU 108 Cb -0.17 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.92 2wbj s LEU 108 CO 0.14 0.19 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.66 2wbj s LYS 109 N 0.21 3.09 -0.36 1.98 1.02 -0.52 -2.49 119.74 122.67 2wbj s LYS 109 Ca -0.08 -0.78 -0.10 0.00 0.02 0.00 0.00 55.97 55.04 2wbj s LYS 109 Cb -0.15 -2.68 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 2wbj s LYS 109 CO 0.05 -0.20 0.18 0.08 -0.92 0.00 0.00 175.35 174.54 2wbj s VAL 110 N 1.32 4.40 0.00 3.17 1.01 -1.26 -1.94 120.40 127.10 2wbj s VAL 110 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2wbj s VAL 110 Cb -0.13 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2wbj s VAL 110 CO -0.10 -0.19 0.33 -0.76 0.00 0.00 0.00 175.10 174.39 2wbj s LEU 111 N 1.53 4.41 0.87 3.92 1.43 0.61 -4.69 118.68 126.76 2wbj s LEU 111 Ca 0.02 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 2wbj s LEU 111 Cb -0.19 -2.61 0.12 0.00 0.03 0.00 0.00 46.19 43.53 2wbj s LEU 111 CO 0.06 0.29 1.15 -2.16 0.23 0.00 0.00 176.35 175.91 2wbj s PRO 112 N -1.41 1.44 -0.54 1.29 0.04 -1.26 -4.12 135.00 130.44 2wbj s PRO 112 Ca 0.25 0.24 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 2wbj s PRO 112 Cb -0.15 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.61 2wbj s PRO 112 CO 0.13 -1.98 0.57 -0.80 0.04 0.00 0.00 177.00 174.96 2wbj s ASN 113 N -4.20 6.19 -0.85 6.66 -0.87 -1.26 -4.66 114.94 115.94 2wbj s ASN 113 Ca 0.63 -1.42 -0.25 0.00 -1.57 0.00 0.00 52.86 50.25 2wbj s ASN 113 Cb -0.14 -2.25 0.03 0.00 -0.02 0.00 0.00 41.25 38.87 2wbj s ASN 113 CO 0.52 -0.91 1.44 -0.63 -2.57 0.00 0.00 177.10 174.95 2wbj s ILE 114 N 2.16 3.75 0.07 0.60 -1.09 -1.26 -4.83 121.20 120.60 2wbj s ILE 114 Ca 0.08 -0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.29 2wbj s ILE 114 Cb -0.25 -4.83 -0.29 0.00 -1.58 0.00 0.00 42.46 35.52 2wbj s ILE 114 CO 0.06 -1.75 1.13 -0.61 -1.23 0.00 0.00 174.94 172.54 2wbj h GLN 115 N 10.45 0.41 -3.24 2.79 5.75 -1.95 -3.39 115.11 125.93 2wbj h GLN 115 Ca -0.06 -0.63 -0.63 0.00 -0.15 0.00 0.00 58.65 57.17 2wbj h GLN 115 Cb 1.04 0.23 -0.41 0.00 1.07 0.00 0.00 27.48 29.40 2wbj h GLN 115 CO 1.33 1.28 -0.59 -0.80 -2.65 0.00 0.00 178.83 177.40 2wbj s ASN 116 N -7.29 4.60 0.20 -0.69 0.01 -1.26 -5.10 114.94 105.41 2wbj s ASN 116 Ca -0.06 -3.43 -0.30 0.00 -0.71 0.00 0.00 52.86 48.36 2wbj s ASN 116 Cb 0.06 -1.65 -0.08 0.00 0.41 0.00 0.00 41.25 40.00 2wbj s ASN 116 CO 0.91 -0.16 0.96 -2.84 -1.51 0.00 0.00 177.10 174.45 2wbj s PRO 117 N -0.87 4.80 -0.40 -0.60 0.02 -1.26 -5.00 135.00 131.68 2wbj s PRO 117 Ca 0.21 1.50 0.07 0.00 0.02 0.00 0.00 61.00 62.80 2wbj s PRO 117 Cb -0.15 -3.31 0.24 0.00 0.02 0.00 0.00 34.50 31.30 2wbj s PRO 117 CO -0.08 0.40 0.52 -3.47 -0.33 0.00 0.00 177.00 174.04 2wbj n ASP 118 N 1.90 -0.09 -4.75 2.53 2.03 -0.59 -5.05 116.55 112.53 2wbj n ASP 118 Ca -0.01 -2.68 -0.41 0.00 0.52 0.00 0.00 54.79 52.21 2wbj n ASP 118 Cb 0.48 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.36 2wbj n ASP 118 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2wbj s PRO 119 N -0.93 4.33 0.12 -0.67 0.02 -0.95 -4.61 135.00 132.31 2wbj s PRO 119 Ca 0.35 2.20 -0.18 0.00 0.02 0.00 0.00 61.00 63.39 2wbj s PRO 119 Cb 0.16 -3.12 0.04 0.00 0.02 0.00 0.00 34.50 31.60 2wbj s PRO 119 CO -0.13 -0.29 0.45 0.00 -0.33 0.00 0.00 177.00 176.70 2wbj s ALA 120 N -0.37 -1.11 -0.18 -1.55 0.00 -0.35 -3.42 121.76 114.78 2wbj s ALA 120 Ca 0.55 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.66 2wbj s ALA 120 Cb -0.40 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2wbj s ALA 120 CO 0.45 -0.65 -0.20 0.08 0.00 0.00 0.00 175.76 175.45 2wbj s VAL 121 N -3.60 2.06 0.04 0.00 1.01 -1.13 -0.84 120.40 117.93 2wbj s VAL 121 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2wbj s VAL 121 Cb 0.01 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2wbj s VAL 121 CO -0.11 0.52 -0.10 -0.31 0.00 0.00 0.00 175.10 175.10 2wbj s TYR 122 N 1.29 2.76 -0.14 5.22 2.02 -0.29 -4.52 117.35 123.69 2wbj s TYR 122 Ca 0.05 -0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.49 2wbj s TYR 122 Cb -0.13 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 2wbj s TYR 122 CO -0.13 0.36 0.28 -1.14 -1.57 0.00 0.00 175.55 173.35 2wbj s GLN 123 N -1.64 4.15 -0.05 -0.62 0.74 -1.26 -1.25 119.66 119.72 2wbj s GLN 123 Ca 0.18 0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.73 2wbj s GLN 123 Cb -0.11 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 2wbj s GLN 123 CO 0.09 0.33 -0.23 -0.51 -0.55 0.00 0.00 175.29 174.42 2wbj s LEU 124 N 0.18 2.02 0.06 3.68 1.02 -0.74 -5.04 118.68 119.87 2wbj s LEU 124 Ca 0.17 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 53.93 2wbj s LEU 124 Cb -0.13 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.80 2wbj s LEU 124 CO 0.04 0.22 -0.15 0.00 0.02 0.00 0.00 176.35 176.49 2wbj s ARG 125 N -0.15 2.09 0.51 1.70 1.70 -1.26 -2.52 118.95 121.02 2wbj s ARG 125 Ca -0.02 -0.99 -0.19 0.00 -0.47 0.00 0.00 55.73 54.06 2wbj s ARG 125 Cb -0.13 -2.24 -0.07 0.00 -0.57 0.00 0.00 34.95 31.94 2wbj s ARG 125 CO 0.03 0.53 1.04 0.34 -1.08 0.00 0.00 175.30 176.16 2wbj s ASP 126 N -1.72 6.21 -0.10 -2.89 3.68 -1.26 -5.05 116.67 115.54 2wbj s ASP 126 Ca 0.17 1.89 -0.06 0.00 2.13 0.00 0.00 52.55 56.68 2wbj s ASP 126 Cb -0.11 -2.55 0.04 0.00 -1.45 0.00 0.00 42.92 38.85 2wbj s ASP 126 CO 0.08 -0.87 0.25 -0.55 0.13 0.00 0.00 175.17 174.21 2wbj s SER 127 N -2.21 -0.27 0.73 -0.34 0.15 -1.26 -4.54 113.70 105.96 2wbj s SER 127 Ca 0.66 0.53 -0.07 0.00 0.70 0.00 0.00 55.95 57.77 2wbj s SER 127 Cb -0.16 0.43 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 2wbj s SER 127 CO 0.24 -0.15 1.04 -0.75 1.20 0.00 0.00 173.24 174.82 2wbj s LYS 128 N 1.08 2.07 0.32 5.44 2.47 -1.26 -5.09 119.74 124.77 2wbj s LYS 128 Ca -0.08 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 2wbj s LYS 128 Cb -0.09 -2.14 0.00 0.00 -1.46 0.00 0.00 37.83 34.14 2wbj s LYS 128 CO -0.07 -1.34 0.00 0.43 0.16 0.00 0.00 175.35 174.53 2wbj n SER 129 N -2.99 -6.92 -0.01 1.43 7.64 -1.26 -5.03 113.62 106.47 2wbj n SER 129 Ca 0.09 0.60 -0.21 0.00 1.01 0.00 0.00 58.87 60.35 2wbj n SER 129 Cb 0.60 -3.60 -0.14 0.00 -1.01 0.00 0.00 64.21 60.07 2wbj n SER 129 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2wbj h SER 130 N -1.09 0.34 -2.72 6.43 0.02 -1.99 -3.39 113.55 111.15 2wbj h SER 130 Ca -0.01 -0.83 -0.57 0.00 -0.84 0.00 0.00 61.79 59.53 2wbj h SER 130 Cb 1.07 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 2wbj h SER 130 CO 0.02 1.64 -0.51 1.51 -1.14 0.00 0.00 176.83 178.35 2wbj s ASP 131 N -7.01 6.02 -0.41 3.07 3.84 -1.26 -5.18 116.67 115.73 2wbj s ASP 131 Ca -0.21 0.08 0.04 0.00 -0.00 0.00 0.00 52.55 52.46 2wbj s ASP 131 Cb 0.05 -1.74 0.17 0.00 -1.38 0.00 0.00 42.92 40.02 2wbj s ASP 131 CO 0.74 0.09 0.39 -1.59 -0.00 0.00 0.00 175.17 174.81 2wbj s LYS 132 N -2.99 0.85 0.61 2.11 -2.85 -1.26 -5.06 119.74 111.14 2wbj s LYS 132 Ca 0.33 -1.66 -0.14 0.00 -1.00 0.00 0.00 55.97 53.50 2wbj s LYS 132 Cb -0.11 -1.08 -0.03 0.00 -2.06 0.00 0.00 37.83 34.55 2wbj s LYS 132 CO 0.26 -1.33 1.04 -1.54 0.10 0.00 0.00 175.35 173.88 2wbj s SER 133 N 0.52 5.91 0.11 0.03 1.04 -1.26 -4.80 113.70 115.25 2wbj s SER 133 Ca 0.28 1.67 0.07 0.00 0.48 0.00 0.00 55.95 58.45 2wbj s SER 133 Cb -0.03 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2wbj s SER 133 CO -0.12 -1.08 -0.09 0.68 0.98 0.00 0.00 173.24 173.61 2wbj s VAL 134 N -2.73 3.40 0.05 5.02 -7.23 -1.05 -3.93 120.40 113.94 2wbj s VAL 134 Ca 0.60 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.50 2wbj s VAL 134 Cb -0.14 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2wbj s VAL 134 CO 0.42 0.09 0.09 0.00 -0.31 0.00 0.00 175.10 175.40 2wbj s LEU 136 N -2.17 1.90 -0.25 0.00 2.96 -0.38 -0.98 118.68 119.76 2wbj s LEU 136 Ca 0.28 -1.07 -0.23 0.00 -0.22 0.00 0.00 54.13 52.89 2wbj s LEU 136 Cb -0.12 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 2wbj s LEU 136 CO 0.20 -0.29 0.76 0.12 -1.32 0.00 0.00 176.35 175.82 2wbj s PHE 137 N 1.63 3.30 0.18 5.38 5.36 -0.05 -1.13 117.98 132.65 2wbj s PHE 137 Ca -0.02 1.02 -0.10 0.00 -0.96 0.00 0.00 56.93 56.87 2wbj s PHE 137 Cb -0.18 -2.98 -0.00 0.00 -0.34 0.00 0.00 43.02 39.52 2wbj s PHE 137 CO -0.09 -0.38 0.34 -0.08 -1.46 0.00 0.00 175.22 173.56 2wbj s THR 138 N 2.72 0.05 -1.66 0.12 -1.32 -0.02 -0.34 115.64 115.19 2wbj s THR 138 Ca 0.32 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 2wbj s THR 138 Cb -0.15 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.95 2wbj s THR 138 CO 0.08 -0.21 0.00 0.47 -2.21 0.00 0.00 174.62 172.74 2wbj n ASP 139 N -0.26 -5.46 -4.90 8.08 9.92 -0.89 -1.20 116.55 121.83 2wbj n ASP 139 Ca -0.06 0.03 -0.31 0.00 -0.53 0.00 0.00 54.79 53.92 2wbj n ASP 139 Cb 0.63 -4.52 -0.04 0.00 -0.64 0.00 0.00 41.12 36.55 2wbj n ASP 139 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2wbj s PHE 140 N -2.93 3.48 0.73 1.24 -0.12 -1.26 -1.55 117.98 117.58 2wbj s PHE 140 Ca 0.00 0.49 -0.12 0.00 -0.05 0.00 0.00 56.93 57.25 2wbj s PHE 140 Cb 0.00 -1.96 0.04 0.00 -0.63 0.00 0.00 43.02 40.47 2wbj s PHE 140 CO 0.00 0.43 1.10 0.16 -0.05 0.00 0.00 175.22 176.86 2wbj s ASP 141 N -2.59 4.68 0.00 1.98 1.47 -1.26 -4.38 116.67 116.57 2wbj s ASP 141 Ca 0.40 1.90 0.08 0.00 1.18 0.00 0.00 52.55 56.12 2wbj s ASP 141 Cb -0.12 -2.53 0.50 0.00 -0.34 0.00 0.00 42.92 40.42 2wbj s ASP 141 CO 0.26 -1.92 0.91 -1.20 0.68 0.00 0.00 175.17 173.90 2wbj n SER 142 N -3.13 0.00 -1.14 2.11 7.64 -1.26 -2.28 113.62 115.56 2wbj n SER 142 Ca 0.10 -0.50 0.12 0.00 1.01 0.00 0.00 58.87 59.60 2wbj n SER 142 Cb 0.53 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.97 2wbj n SER 142 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wbj n GLN 143 N -0.84 2.47 -3.64 1.43 6.02 -1.26 -4.91 117.38 116.65 2wbj n GLN 143 Ca 0.06 -2.24 -0.38 0.00 -0.01 0.00 0.00 57.00 54.43 2wbj n GLN 143 Cb 0.03 -1.51 -0.12 0.00 1.02 0.00 0.00 30.24 29.66 2wbj n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2wbj s THR 144 N -1.43 4.81 0.04 5.09 2.01 -0.97 -5.08 115.64 120.11 2wbj s THR 144 Ca 0.40 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 2wbj s THR 144 Cb 0.23 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 2wbj s THR 144 CO 0.31 0.15 0.67 0.20 -0.69 0.00 0.00 174.62 175.27 2wbj s ASN 145 N 1.66 7.11 -0.26 3.53 -0.87 -1.26 -5.02 114.94 119.83 2wbj s ASN 145 Ca 0.06 1.32 -0.10 0.00 -1.57 0.00 0.00 52.86 52.57 2wbj s ASN 145 Cb -0.16 -2.42 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 2wbj s ASN 145 CO 0.07 0.09 0.15 -0.69 -2.57 0.00 0.00 177.10 174.16 2wbj s VAL 146 N -0.30 5.07 0.35 1.60 1.01 -1.26 -4.85 120.40 122.02 2wbj s VAL 146 Ca 0.34 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2wbj s VAL 146 Cb -0.20 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2wbj s VAL 146 CO 0.20 0.29 0.49 -0.44 0.00 0.00 0.00 175.10 175.64 2wbj s SER 147 N 1.59 5.92 0.95 3.32 0.01 -1.26 -4.91 113.70 119.32 2wbj s SER 147 Ca 0.07 -0.21 -0.12 0.00 1.31 0.00 0.00 55.95 56.99 2wbj s SER 147 Cb -0.15 -1.15 0.16 0.00 0.21 0.00 0.00 66.02 65.09 2wbj s SER 147 CO 0.08 -0.49 1.11 -1.10 0.41 0.00 0.00 173.24 173.25 2wbj s GLN 148 N -4.21 0.80 0.45 12.44 -1.52 -1.26 -4.97 119.66 121.39 2wbj s GLN 148 Ca 0.47 0.42 -0.23 0.00 -1.95 0.00 0.00 55.36 54.07 2wbj s GLN 148 Cb -0.10 -1.79 -0.08 0.00 -0.22 0.00 0.00 33.01 30.83 2wbj s GLN 148 CO 0.32 -2.46 1.11 -1.54 -0.25 0.00 0.00 175.29 172.47 2wbj s SER 149 N -3.73 6.35 -0.03 5.90 1.04 -1.26 -4.99 113.70 116.98 2wbj s SER 149 Ca 0.64 2.16 -0.13 0.00 0.48 0.00 0.00 55.95 59.11 2wbj s SER 149 Cb -0.17 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.29 2wbj s SER 149 CO 0.56 -0.78 0.60 0.11 0.98 0.00 0.00 173.24 174.70 2wbj h LYS 150 N 2.08 -0.44 -6.33 4.02 1.79 -1.92 -3.42 116.57 112.35 2wbj h LYS 150 Ca -0.49 0.03 -0.55 0.00 -2.18 0.00 0.00 60.65 57.46 2wbj h LYS 150 Cb 1.23 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 2wbj h LYS 150 CO 0.60 -0.29 0.35 0.34 -1.08 0.00 0.00 179.45 179.37 2wbj s ASP 151 N -4.49 7.29 0.18 0.86 2.15 -1.26 -4.95 116.67 116.45 2wbj s ASP 151 Ca -0.07 1.57 0.21 0.00 0.43 0.00 0.00 52.55 54.69 2wbj s ASP 151 Cb 0.01 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.95 2wbj s ASP 151 CO 0.20 -0.26 1.63 -1.54 -0.17 0.00 0.00 175.17 175.03 2wbj n SER 152 N 4.04 0.47 -1.89 -0.34 3.41 -1.26 -1.66 113.62 116.38 2wbj n SER 152 Ca 0.05 0.62 -0.03 0.00 -0.26 0.00 0.00 58.87 59.25 2wbj n SER 152 Cb 0.51 -0.71 0.30 0.00 -0.26 0.00 0.00 64.21 64.05 2wbj n SER 152 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wbj n ASP 153 N -2.02 4.81 -4.53 4.04 9.92 -1.26 -4.84 116.55 122.67 2wbj n ASP 153 Ca 0.02 -3.06 -0.31 0.00 -0.53 0.00 0.00 54.79 50.92 2wbj n ASP 153 Cb 0.21 -0.72 -0.11 0.00 -0.64 0.00 0.00 41.12 39.86 2wbj n ASP 153 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wbj s VAL 154 N -2.75 3.19 -0.10 2.53 1.01 -0.66 -4.73 120.40 118.90 2wbj s VAL 154 Ca 0.51 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2wbj s VAL 154 Cb 0.40 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 34.37 2wbj s VAL 154 CO 0.13 0.26 -0.19 -0.31 0.00 0.00 0.00 175.10 174.99 2wbj s TYR 155 N -1.05 2.21 -0.12 5.22 1.51 -0.68 -4.72 117.35 119.72 2wbj s TYR 155 Ca 0.18 -0.94 -0.01 0.00 -1.01 0.00 0.00 57.07 55.30 2wbj s TYR 155 Cb -0.11 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.25 2wbj s TYR 155 CO 0.09 -0.41 -0.07 0.42 -1.11 0.00 0.00 175.55 174.47 2wbj s ILE 156 N 0.57 0.97 0.79 2.71 1.01 -1.26 -1.30 121.20 124.69 2wbj s ILE 156 Ca -0.15 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 2wbj s ILE 156 Cb -0.17 -1.02 0.06 0.00 0.01 0.00 0.00 42.46 41.35 2wbj s ILE 156 CO 0.05 0.33 1.14 0.42 0.00 0.00 0.00 174.94 176.87 2wbj s THR 157 N 1.73 2.63 0.76 2.92 -4.23 -0.65 -4.91 115.64 113.90 2wbj s THR 157 Ca 0.04 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 2wbj s THR 157 Cb -0.13 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.62 2wbj s THR 157 CO -0.08 -0.27 1.10 -0.62 -0.54 0.00 0.00 174.62 174.21 2wbj s ASP 158 N -4.35 4.84 0.33 3.99 -1.08 -1.26 -4.50 116.67 114.65 2wbj s ASP 158 Ca 0.61 1.24 -0.28 0.00 -0.52 0.00 0.00 52.55 53.60 2wbj s ASP 158 Cb -0.12 -1.99 -0.09 0.00 -1.46 0.00 0.00 42.92 39.25 2wbj s ASP 158 CO 0.51 -1.74 1.18 -1.59 0.52 0.00 0.00 175.17 174.05 2wbj s LYS 159 N -5.23 4.37 0.06 4.34 -2.85 -1.26 -4.60 119.74 114.57 2wbj s LYS 159 Ca 0.60 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 2wbj s LYS 159 Cb -0.13 -2.99 -0.03 0.00 -2.06 0.00 0.00 37.83 32.62 2wbj s LYS 159 CO 0.53 -0.07 -0.05 0.99 0.10 0.00 0.00 175.35 176.85 2wbj s THR 160 N -1.24 0.39 -0.12 3.79 2.01 -0.33 -4.94 115.64 115.19 2wbj s THR 160 Ca 0.50 -1.58 -0.13 0.00 0.31 0.00 0.00 61.69 60.79 2wbj s THR 160 Cb -0.34 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 2wbj s THR 160 CO 0.44 -0.79 0.28 -0.69 -0.69 0.00 0.00 174.62 173.17 2wbj s VAL 161 N -3.04 5.29 -0.15 3.82 1.01 -1.26 -1.58 120.40 124.49 2wbj s VAL 161 Ca 0.02 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 2wbj s VAL 161 Cb 0.01 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2wbj s VAL 161 CO -0.05 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 174.76 2wbj s LEU 162 N -0.10 3.53 -0.32 3.92 1.02 -0.26 -4.98 118.68 121.49 2wbj s LEU 162 Ca 0.17 -0.00 -0.07 0.00 0.02 0.00 0.00 54.13 54.25 2wbj s LEU 162 Cb -0.13 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.23 2wbj s LEU 162 CO 0.05 0.20 0.11 -0.62 0.02 0.00 0.00 176.35 176.11 2wbj s ASP 163 N 0.16 5.27 -0.81 2.29 2.15 -1.26 -2.12 116.67 122.36 2wbj s ASP 163 Ca 0.01 -0.83 -0.19 0.00 0.43 0.00 0.00 52.55 51.98 2wbj s ASP 163 Cb -0.13 -1.90 0.13 0.00 -0.30 0.00 0.00 42.92 40.72 2wbj s ASP 163 CO 0.02 -0.25 0.97 -0.04 -0.17 0.00 0.00 175.17 175.70 2wbj s MET 164 N 1.49 3.42 0.25 4.34 -1.94 0.43 -4.91 119.30 122.39 2wbj s MET 164 Ca 0.02 -1.65 -0.02 0.00 -1.71 0.00 0.00 55.69 52.33 2wbj s MET 164 Cb -0.18 -4.62 0.31 0.00 2.01 0.00 0.00 34.83 32.35 2wbj s MET 164 CO 0.03 -1.66 1.73 0.00 -0.01 0.00 0.00 175.02 175.11 2wbj h ARG 165 N 8.85 0.77 0.00 2.03 3.08 -1.96 -0.46 114.38 126.68 2wbj h ARG 165 Ca -0.00 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2wbj h ARG 165 Cb 1.05 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 2wbj h ARG 165 CO 1.06 0.82 -0.08 0.66 -1.07 0.00 0.00 179.97 181.37 2wbj h SER 166 N 0.70 0.00 -0.01 7.04 4.64 -1.96 -2.79 113.55 121.18 2wbj h SER 166 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2wbj h SER 166 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2wbj h SER 166 CO 0.03 0.08 -0.07 0.23 -0.87 0.00 0.00 176.83 176.23 2wbj n MET 167 N -3.69 1.20 -3.66 4.77 2.81 -1.05 -5.03 117.12 112.48 2wbj n MET 167 Ca -0.02 -0.65 -0.27 0.00 -1.81 0.00 0.00 57.70 54.95 2wbj n MET 167 Cb 0.18 -1.03 0.02 0.00 -0.71 0.00 0.00 33.22 31.69 2wbj n MET 167 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2wbj n ASP 168 N -0.02 -5.47 -3.76 7.83 -0.08 -0.27 -5.02 116.55 109.77 2wbj n ASP 168 Ca 0.03 -0.90 -0.14 0.00 -1.51 0.00 0.00 54.79 52.27 2wbj n ASP 168 Cb 0.14 -3.06 -0.15 0.00 2.34 0.00 0.00 41.12 40.38 2wbj n ASP 168 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2wbj s PHE 169 N -3.28 -0.07 0.04 -0.67 5.36 -0.69 -5.02 117.98 113.66 2wbj s PHE 169 Ca 0.29 0.31 0.06 0.00 -0.96 0.00 0.00 56.93 56.64 2wbj s PHE 169 Cb -0.12 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.36 2wbj s PHE 169 CO 0.87 -0.13 -0.13 0.15 -1.46 0.00 0.00 175.22 174.51 2wbj s LYS 170 N 1.17 2.21 -0.05 10.12 1.02 -1.26 -0.43 119.74 132.53 2wbj s LYS 170 Ca -0.09 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 54.94 2wbj s LYS 170 Cb -0.12 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2wbj s LYS 170 CO -0.05 0.55 0.13 -1.54 -0.92 0.00 0.00 175.35 173.53 2wbj s SER 171 N -1.58 -0.12 0.41 2.83 1.04 -0.90 -4.95 113.70 110.43 2wbj s SER 171 Ca 0.16 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 2wbj s SER 171 Cb -0.11 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.18 2wbj s SER 171 CO 0.07 -0.08 0.90 0.20 0.98 0.00 0.00 173.24 175.31 2wbj s ASN 172 N -0.08 6.87 -0.12 7.02 0.01 -1.26 -1.10 114.94 126.28 2wbj s ASN 172 Ca -0.02 1.58 -0.22 0.00 -0.71 0.00 0.00 52.86 53.49 2wbj s ASN 172 Cb -0.02 -2.49 0.05 0.00 0.41 0.00 0.00 41.25 39.20 2wbj s ASN 172 CO 0.00 -0.34 0.55 -0.94 -1.51 0.00 0.00 177.10 174.86 2wbj s SER 173 N -2.28 -0.53 0.02 -1.22 1.04 -0.62 -2.10 113.70 108.01 2wbj s SER 173 Ca 0.60 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2wbj s SER 173 Cb -0.09 0.79 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 2wbj s SER 173 CO 0.16 -0.38 -0.04 0.00 0.98 0.00 0.00 173.24 173.96 2wbj s ALA 174 N -0.50 0.18 -0.09 5.32 0.00 0.54 -1.19 121.76 126.02 2wbj s ALA 174 Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2wbj s ALA 174 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2wbj s ALA 174 CO 0.04 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.64 2wbj s VAL 175 N -1.39 3.29 -0.08 0.00 1.01 -1.26 -0.87 120.40 121.09 2wbj s VAL 175 Ca -0.15 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2wbj s VAL 175 Cb -0.10 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2wbj s VAL 175 CO -0.01 0.56 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 2wbj s ALA 176 N -0.32 1.78 0.03 5.51 0.00 -0.16 -1.63 121.76 126.97 2wbj s ALA 176 Ca 0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 2wbj s ALA 176 Cb -0.13 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2wbj s ALA 176 CO 0.02 0.22 0.01 1.67 0.00 0.00 0.00 175.76 177.69 2wbj s TRP 177 N 0.45 0.27 -0.01 0.00 -2.14 -0.42 0.86 118.94 117.95 2wbj s TRP 177 Ca -0.17 -0.57 -0.21 0.00 2.66 0.00 0.00 56.10 57.81 2wbj s TRP 177 Cb -0.17 -0.20 0.04 0.00 -3.10 0.00 0.00 33.47 30.04 2wbj s TRP 177 CO 0.07 -0.26 0.46 0.45 -2.66 0.00 0.00 176.95 175.00 2wbj s SER 178 N -1.81 -0.37 0.00 -2.66 0.15 -1.25 -1.68 113.70 106.07 2wbj s SER 178 Ca -0.10 0.29 0.20 0.00 0.70 0.00 0.00 55.95 57.04 2wbj s SER 178 Cb -0.05 0.41 0.61 0.00 -1.71 0.00 0.00 66.02 65.28 2wbj s SER 178 CO -0.03 -0.55 1.47 -0.46 1.20 0.00 0.00 173.24 174.88 2wbj n ASN 179 N 0.99 2.19 -4.78 5.45 6.94 -1.26 -4.39 115.26 120.40 2wbj n ASN 179 Ca -0.20 -1.82 -0.41 0.00 -0.02 0.00 0.00 54.58 52.13 2wbj n ASN 179 Cb 0.57 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2wbj n ASN 179 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wbj s LYS 180 N -1.67 4.05 0.29 -3.83 1.02 -1.26 -4.93 119.74 113.41 2wbj s LYS 180 Ca 0.33 2.58 0.07 0.00 0.02 0.00 0.00 55.97 58.97 2wbj s LYS 180 Cb 0.18 -2.93 0.42 0.00 -0.52 0.00 0.00 37.83 34.98 2wbj s LYS 180 CO 0.26 -0.58 1.67 0.66 -0.92 0.00 0.00 175.35 176.44 2wbj h SER 181 N 2.91 0.19 -0.29 2.83 4.64 -2.00 -3.18 113.55 118.66 2wbj h SER 181 Ca -0.51 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2wbj h SER 181 Cb 1.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wbj h SER 181 CO 0.64 0.65 0.00 -0.90 -0.87 0.00 0.00 176.83 176.35 2wbj n ASP 182 N -3.96 2.91 -4.64 4.97 3.85 -1.26 -4.96 116.55 113.46 2wbj n ASP 182 Ca -0.02 -1.91 -0.43 0.00 -0.71 0.00 0.00 54.79 51.72 2wbj n ASP 182 Cb 0.53 -0.18 -0.03 0.00 -1.35 0.00 0.00 41.12 40.09 2wbj n ASP 182 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2wbj s PHE 183 N -1.64 2.12 -0.06 2.11 2.19 -1.20 -4.99 117.98 116.52 2wbj s PHE 183 Ca 0.36 0.49 0.02 0.00 0.33 0.00 0.00 56.93 58.12 2wbj s PHE 183 Cb 0.21 -3.92 -0.03 0.00 -1.31 0.00 0.00 43.02 37.97 2wbj s PHE 183 CO 0.30 -3.10 -0.09 0.00 1.83 0.00 0.00 175.22 174.16 2wbj s ALA 184 N 4.77 2.89 0.24 11.12 0.00 -1.26 -5.02 121.76 134.49 2wbj s ALA 184 Ca 0.71 -0.93 0.19 0.00 0.00 0.00 0.00 51.96 51.93 2wbj s ALA 184 Cb -0.27 -1.14 0.78 0.00 0.00 0.00 0.00 23.12 22.49 2wbj s ALA 184 CO 0.28 0.57 1.79 0.00 0.00 0.00 0.00 175.76 178.40 2wbj h ALA 186 N 1.65 0.21 -1.30 0.00 0.00 -1.96 -2.77 119.26 115.09 2wbj h ALA 186 Ca -0.00 0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.47 2wbj h ALA 186 Cb 0.79 0.28 -0.42 0.00 0.00 0.00 0.00 17.79 18.44 2wbj h ALA 186 CO 0.05 -0.47 -0.77 0.27 0.00 0.00 0.00 179.25 178.33 2wbj n ASN 187 N -5.29 4.63 0.06 0.00 0.23 -1.24 -4.81 115.26 108.84 2wbj n ASN 187 Ca 0.01 -3.68 -0.04 0.00 -0.53 0.00 0.00 54.58 50.34 2wbj n ASN 187 Cb 0.20 -0.43 0.16 0.00 -2.08 0.00 0.00 39.78 37.63 2wbj n ASN 187 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wbj h ALA 188 N 2.50 0.97 0.00 -2.53 0.00 -1.22 -3.39 119.26 115.59 2wbj h ALA 188 Ca 0.30 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 2wbj h ALA 188 Cb 1.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2wbj h ALA 188 CO 0.81 0.64 -1.62 1.19 0.00 0.00 0.00 179.25 180.27 2wbj n PHE 189 N -3.99 0.22 -2.24 0.00 3.01 -1.26 -4.93 117.46 108.26 2wbj n PHE 189 Ca -0.02 0.09 -0.15 0.00 1.01 0.00 0.00 57.45 58.39 2wbj n PHE 189 Cb 0.52 -0.80 -0.02 0.00 -0.01 0.00 0.00 39.48 39.17 2wbj n PHE 189 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2wbj n ASN 190 N -4.39 -4.38 -3.11 4.37 3.02 -1.26 -4.81 115.26 104.70 2wbj n ASN 190 Ca -0.32 0.18 -0.19 0.00 -0.03 0.00 0.00 54.58 54.22 2wbj n ASN 190 Cb 0.66 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 36.03 2wbj n ASN 190 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wbj n ASN 191 N -1.65 -1.16 -3.10 6.41 3.02 -1.26 -5.02 115.26 112.51 2wbj n ASN 191 Ca -0.17 -2.73 -0.16 0.00 -0.03 0.00 0.00 54.58 51.48 2wbj n ASN 191 Cb 0.61 0.20 0.02 0.00 -0.61 0.00 0.00 39.78 40.00 2wbj n ASN 191 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2wbj n SER 192 N 2.15 -7.15 -4.60 6.41 2.88 -1.26 -4.39 113.62 107.65 2wbj n SER 192 Ca 0.21 0.21 -0.25 0.00 -1.33 0.00 0.00 58.87 57.71 2wbj n SER 192 Cb 0.54 -4.23 -0.09 0.00 -0.75 0.00 0.00 64.21 59.68 2wbj n SER 192 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2wbj s ILE 193 N -2.38 2.61 0.05 2.46 -4.36 -1.26 -4.68 121.20 113.64 2wbj s ILE 193 Ca 0.24 -2.04 -0.31 0.00 -0.26 0.00 0.00 60.65 58.28 2wbj s ILE 193 Cb -0.05 -2.73 -0.07 0.00 1.25 0.00 0.00 42.46 40.86 2wbj s ILE 193 CO 0.80 -0.23 1.49 -0.51 0.24 0.00 0.00 174.94 176.73 2wbj s ILE 194 N -2.52 3.37 -1.44 8.37 1.10 -1.26 -4.91 121.20 123.91 2wbj s ILE 194 Ca 0.34 0.84 -0.12 0.00 -0.51 0.00 0.00 60.65 61.20 2wbj s ILE 194 Cb -0.01 -3.54 0.05 0.00 0.15 0.00 0.00 42.46 39.12 2wbj s ILE 194 CO 0.19 0.01 2.28 -0.81 -2.11 0.00 0.00 174.94 174.50 2wbj n PRO 195 N 5.11 3.26 0.00 3.50 -0.04 -1.26 -4.03 135.00 141.55 2wbj n PRO 195 Ca 0.14 -2.80 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 2wbj n PRO 195 Cb 0.42 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 2wbj n PRO 195 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wbj n GLU 196 N 4.94 4.56 -1.74 0.54 1.02 -1.26 -5.15 120.64 123.55 2wbj n GLU 196 Ca 0.54 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.29 2wbj n GLU 196 Cb 0.35 -0.38 0.04 0.00 -0.02 0.00 0.00 31.44 31.43 2wbj n GLU 196 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2wbj n ASP 197 N 0.00 2.79 -4.78 1.62 9.92 -1.25 -4.98 116.55 119.87 2wbj n ASP 197 Ca 0.00 1.01 -0.37 0.00 -0.53 0.00 0.00 54.79 54.90 2wbj n ASP 197 Cb 0.00 -1.58 -0.05 0.00 -0.64 0.00 0.00 41.12 38.85 2wbj n ASP 197 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2wbj s THR 198 N -1.27 3.83 0.00 -3.53 2.01 -1.22 -4.91 115.64 110.56 2wbj s THR 198 Ca 0.69 1.47 0.00 0.00 0.31 0.00 0.00 61.69 64.17 2wbj s THR 198 Cb -0.43 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2wbj s THR 198 CO 0.51 0.08 0.00 0.49 -0.69 0.00 0.00 174.62 175.01 2wbj n PHE 199 N 0.23 0.00 -1.35 4.92 3.01 -1.26 -2.84 117.46 120.16 2wbj n PHE 199 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2wbj n PHE 199 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2wbj n PHE 199 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11