#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw7 s THR 2 N 0.00 3.63 0.92 2.46 -4.23 -1.26 -4.20 115.64 112.96 1aw7 s THR 2 Ca 0.00 -1.60 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 1aw7 s THR 2 Cb 0.00 -2.87 0.17 0.00 1.34 0.00 0.00 72.50 71.14 1aw7 s THR 2 CO 0.00 -0.21 1.28 0.54 -0.54 0.00 0.00 174.62 175.69 1aw7 s ASN 3 N -3.22 3.50 0.32 3.99 2.20 -1.26 -4.87 114.94 115.60 1aw7 s ASN 3 Ca 0.29 0.38 0.02 0.00 -0.94 0.00 0.00 52.86 52.61 1aw7 s ASN 3 Cb -0.08 -0.54 0.60 0.00 -2.00 0.00 0.00 41.25 39.22 1aw7 s ASN 3 CO 0.19 -2.50 1.91 0.44 -2.94 0.00 0.00 177.10 174.21 1aw7 h ASP 4 N -1.46 0.84 -0.43 3.54 3.32 -2.00 -2.63 116.42 117.59 1aw7 h ASP 4 Ca -0.45 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1aw7 h ASP 4 Cb 1.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1aw7 h ASP 4 CO 0.45 0.53 0.20 0.78 -1.72 0.00 0.00 179.24 179.48 1aw7 h ASN 5 N 0.94 0.57 0.25 6.45 2.35 -2.00 -1.62 115.58 122.52 1aw7 h ASN 5 Ca 0.38 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1aw7 h ASN 5 Cb 0.27 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1aw7 h ASN 5 CO -0.15 0.54 -0.21 0.40 -1.65 0.00 0.00 177.43 176.37 1aw7 h ILE 6 N 0.55 1.05 -0.14 2.81 1.08 -1.89 -2.01 117.51 118.97 1aw7 h ILE 6 Ca 0.15 -0.73 -0.18 0.00 -0.39 0.00 0.00 64.86 63.71 1aw7 h ILE 6 Cb 0.13 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1aw7 h ILE 6 CO -0.02 0.20 -0.66 0.11 -0.69 0.00 0.00 178.15 177.09 1aw7 h LYS 7 N 0.00 0.53 -0.58 2.37 1.57 -1.05 -1.07 116.57 118.34 1aw7 h LYS 7 Ca -0.00 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 1aw7 h LYS 7 Cb 0.39 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1aw7 h LYS 7 CO 0.03 1.01 0.07 0.22 -0.57 0.00 0.00 179.45 180.21 1aw7 h ASP 8 N 0.38 0.91 -0.36 0.86 3.58 -1.04 -0.44 116.42 120.31 1aw7 h ASP 8 Ca -0.02 -0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 1aw7 h ASP 8 Cb 1.23 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1aw7 h ASP 8 CO 0.12 0.93 -0.13 -0.07 -2.88 0.00 0.00 179.24 177.21 1aw7 h LEU 9 N 0.90 0.74 -0.77 2.28 3.38 -1.16 -0.66 115.31 120.02 1aw7 h LEU 9 Ca 0.18 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1aw7 h LEU 9 Cb 0.42 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1aw7 h LEU 9 CO 0.01 0.96 0.48 0.25 0.09 0.00 0.00 178.44 180.23 1aw7 h LEU 10 N 0.52 0.78 -0.39 1.67 5.85 -0.82 -2.16 115.31 120.76 1aw7 h LEU 10 Ca 0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1aw7 h LEU 10 Cb 0.66 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1aw7 h LEU 10 CO 0.04 0.52 0.21 0.44 -0.34 0.00 0.00 178.44 179.32 1aw7 h ASP 11 N 0.92 0.50 0.45 1.25 3.32 -0.59 -2.47 116.42 119.80 1aw7 h ASP 11 Ca 0.32 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1aw7 h ASP 11 Cb 0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1aw7 h ASP 11 CO -0.13 0.45 -0.39 -0.25 -1.72 0.00 0.00 179.24 177.21 1aw7 h TRP 12 N 0.50 -1.04 0.00 4.55 2.91 -0.92 -2.61 115.95 119.34 1aw7 h TRP 12 Ca 0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1aw7 h TRP 12 Cb 0.08 0.40 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 1aw7 h TRP 12 CO -0.02 -0.55 0.00 0.66 -1.03 0.00 0.00 178.44 177.50 1aw7 n TYR 13 N -5.50 0.00 -0.59 2.65 4.01 -0.83 -3.05 117.16 113.85 1aw7 n TYR 13 Ca -0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.66 1aw7 n TYR 13 Cb 0.39 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.46 1aw7 n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1aw7 n SER 14 N -0.89 1.67 -2.10 7.72 3.41 -0.93 -4.49 113.62 118.00 1aw7 n SER 14 Ca 0.14 -2.17 -0.13 0.00 -0.26 0.00 0.00 58.87 56.46 1aw7 n SER 14 Cb 0.07 -0.14 0.26 0.00 -0.26 0.00 0.00 64.21 64.14 1aw7 n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aw7 n SER 15 N -0.66 4.48 -0.68 4.04 3.41 -0.99 -5.03 113.62 118.18 1aw7 n SER 15 Ca 0.05 -3.35 0.06 0.00 -0.26 0.00 0.00 58.87 55.36 1aw7 n SER 15 Cb 0.43 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1aw7 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aw7 n GLY 16 N -0.49 -1.81 3.32 5.00 0.00 -1.26 -5.03 105.19 104.91 1aw7 n GLY 16 Ca 0.48 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1aw7 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 17 N -4.47 -0.26 -0.18 1.61 1.04 -1.26 -4.92 113.70 105.26 1aw7 s SER 17 Ca 0.00 -0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 1aw7 s SER 17 Cb 0.00 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1aw7 s SER 17 CO 0.00 -0.73 0.29 -1.81 0.98 0.00 0.00 173.24 171.96 1aw7 s ASP 18 N -2.31 6.38 -0.23 7.02 1.01 0.99 -4.96 116.67 124.56 1aw7 s ASP 18 Ca -0.02 0.44 0.02 0.00 0.71 0.00 0.00 52.55 53.70 1aw7 s ASP 18 Cb 0.00 -2.18 0.04 0.00 1.01 0.00 0.00 42.92 41.80 1aw7 s ASP 18 CO -0.06 0.06 -0.14 -0.89 0.21 0.00 0.00 175.17 174.35 1aw7 s THR 19 N 0.73 2.15 -0.02 -1.27 2.01 -1.26 -1.37 115.64 116.61 1aw7 s THR 19 Ca 0.15 -1.36 0.05 0.00 0.31 0.00 0.00 61.69 60.84 1aw7 s THR 19 Cb -0.13 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1aw7 s THR 19 CO 0.04 0.19 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.64 1aw7 s PHE 20 N 1.18 1.51 -0.04 4.92 0.08 -0.40 -5.00 117.98 120.23 1aw7 s PHE 20 Ca -0.03 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1aw7 s PHE 20 Cb -0.17 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 1aw7 s PHE 20 CO -0.08 -0.07 -0.12 0.95 -0.10 0.00 0.00 175.22 175.81 1aw7 s THR 21 N -0.25 3.30 -1.30 0.64 -4.23 -1.26 -1.19 115.64 111.35 1aw7 s THR 21 Ca 0.03 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1aw7 s THR 21 Cb -0.08 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1aw7 s THR 21 CO 0.00 0.54 0.86 0.59 -0.54 0.00 0.00 174.62 176.07 1aw7 n ASN 22 N 2.10 -2.15 -4.90 3.99 4.13 -1.01 -4.61 115.26 112.80 1aw7 n ASN 22 Ca -0.17 -0.73 -0.29 0.00 1.68 0.00 0.00 54.58 55.07 1aw7 n ASN 22 Cb 0.52 -4.46 0.08 0.00 -1.54 0.00 0.00 39.78 34.39 1aw7 n ASN 22 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1aw7 s SER 23 N -4.19 4.63 -0.07 6.41 0.01 0.02 -4.65 113.70 115.86 1aw7 s SER 23 Ca 0.11 0.77 0.04 0.00 1.31 0.00 0.00 55.95 58.17 1aw7 s SER 23 Cb -0.05 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1aw7 s SER 23 CO 0.78 -1.81 -0.19 -0.70 0.41 0.00 0.00 173.24 171.73 1aw7 s GLU 24 N -5.51 2.19 0.19 12.44 2.12 -0.46 -0.90 118.70 128.77 1aw7 s GLU 24 Ca 0.61 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 1aw7 s GLU 24 Cb -0.11 -1.79 -0.09 0.00 0.26 0.00 0.00 34.13 32.40 1aw7 s GLU 24 CO 0.49 0.19 1.36 0.08 -0.54 0.00 0.00 175.26 176.83 1aw7 s VAL 25 N 0.25 3.12 -0.09 3.70 1.01 -0.45 -1.91 120.40 126.04 1aw7 s VAL 25 Ca -0.11 0.89 0.11 0.00 0.00 0.00 0.00 61.98 62.87 1aw7 s VAL 25 Cb -0.15 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 1aw7 s VAL 25 CO 0.05 0.12 0.10 0.18 0.00 0.00 0.00 175.10 175.54 1aw7 n LEU 26 N 2.93 0.00 -3.57 3.92 4.77 0.53 -1.82 117.00 123.76 1aw7 n LEU 26 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1aw7 n LEU 26 Cb 0.42 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1aw7 n LEU 26 CO 0.59 0.21 0.68 -0.62 -1.33 0.00 0.00 177.39 176.91 1aw7 s ASP 27 N -4.13 -0.46 -0.22 -1.43 2.15 -1.03 -4.78 116.67 106.76 1aw7 s ASP 27 Ca -0.05 0.57 -0.03 0.00 0.43 0.00 0.00 52.55 53.46 1aw7 s ASP 27 Cb 0.05 0.46 0.11 0.00 -0.30 0.00 0.00 42.92 43.23 1aw7 s ASP 27 CO 0.48 -0.39 0.26 0.21 -0.17 0.00 0.00 175.17 175.56 1aw7 s ASN 28 N -0.93 1.25 0.00 -0.34 3.84 -1.26 -1.66 114.94 115.84 1aw7 s ASN 28 Ca -0.03 -0.23 0.00 0.00 0.21 0.00 0.00 52.86 52.81 1aw7 s ASN 28 Cb -0.01 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.20 1aw7 s ASN 28 CO 0.03 -0.33 0.00 -1.20 -2.79 0.00 0.00 177.10 172.81 1aw7 n SER 29 N 5.32 0.39 -4.61 -4.21 7.64 -0.00 -5.01 113.62 113.15 1aw7 n SER 29 Ca -0.05 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.39 1aw7 n SER 29 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1aw7 n SER 29 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1aw7 s LEU 30 N 0.00 3.67 -1.71 -3.43 2.34 -1.26 -4.05 118.68 114.24 1aw7 s LEU 30 Ca 0.00 0.95 0.00 0.00 0.06 0.00 0.00 54.13 55.14 1aw7 s LEU 30 Cb 0.00 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.09 1aw7 s LEU 30 CO 0.00 -1.35 0.00 0.61 -1.06 0.00 0.00 176.35 174.55 1aw7 n GLY 31 N 4.89 0.71 3.14 -3.48 0.00 -1.26 -4.96 105.19 104.23 1aw7 n GLY 31 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1aw7 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 32 N -2.29 -0.35 0.17 1.61 1.04 -1.26 -1.25 113.70 111.37 1aw7 s SER 32 Ca 0.00 0.65 0.10 0.00 0.48 0.00 0.00 55.95 57.18 1aw7 s SER 32 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1aw7 s SER 32 CO 0.00 -0.16 -0.22 -0.04 0.98 0.00 0.00 173.24 173.80 1aw7 s MET 33 N 1.11 1.39 -0.18 4.02 -1.94 -0.53 -0.82 119.30 122.34 1aw7 s MET 33 Ca -0.08 -1.44 0.01 0.00 -1.71 0.00 0.00 55.69 52.47 1aw7 s MET 33 Cb -0.08 -1.64 0.04 0.00 2.01 0.00 0.00 34.83 35.16 1aw7 s MET 33 CO -0.08 0.35 -0.11 0.50 -0.01 0.00 0.00 175.02 175.67 1aw7 s ARG 34 N -2.59 2.04 -0.04 2.03 3.52 -0.66 -1.89 118.95 121.36 1aw7 s ARG 34 Ca 0.17 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1aw7 s ARG 34 Cb -0.08 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1aw7 s ARG 34 CO 0.08 -0.38 -0.17 0.42 -0.81 0.00 0.00 175.30 174.44 1aw7 s ILE 35 N 1.44 1.41 -0.22 4.11 1.01 -0.06 -0.35 121.20 128.53 1aw7 s ILE 35 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1aw7 s ILE 35 Cb -0.15 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1aw7 s ILE 35 CO -0.09 0.41 0.13 -0.75 0.00 0.00 0.00 174.94 174.64 1aw7 s LYS 36 N 0.05 4.03 0.48 2.79 2.20 -0.80 -0.96 119.74 127.53 1aw7 s LYS 36 Ca -0.04 -0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1aw7 s LYS 36 Cb -0.11 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1aw7 s LYS 36 CO 0.02 0.12 0.72 -0.80 -0.36 0.00 0.00 175.35 175.05 1aw7 s ASN 37 N 0.86 5.79 0.37 1.43 0.01 0.89 -1.35 114.94 122.94 1aw7 s ASN 37 Ca 0.06 0.38 0.22 0.00 -0.71 0.00 0.00 52.86 52.81 1aw7 s ASN 37 Cb -0.13 -1.57 1.20 0.00 0.41 0.00 0.00 41.25 41.16 1aw7 s ASN 37 CO 0.03 -0.78 1.65 0.71 -1.51 0.00 0.00 177.10 177.20 1aw7 h THR 38 N 0.28 0.00 -0.15 1.60 1.35 -1.82 -1.59 112.91 112.57 1aw7 h THR 38 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1aw7 h THR 38 Cb 1.25 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1aw7 h THR 38 CO 0.58 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.95 1aw7 n ASP 39 N -2.31 3.06 0.00 5.36 5.75 -1.26 -4.93 116.55 122.22 1aw7 n ASP 39 Ca -0.01 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1aw7 n ASP 39 Cb 0.11 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1aw7 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aw7 n GLY 40 N 1.39 0.42 3.90 6.12 0.00 -0.60 -5.06 105.19 111.35 1aw7 n GLY 40 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1aw7 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 41 N -1.93 6.01 -0.06 1.61 1.04 -1.26 -4.73 113.70 114.38 1aw7 s SER 41 Ca 0.00 1.04 0.05 0.00 0.48 0.00 0.00 55.95 57.52 1aw7 s SER 41 Cb 0.00 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 1aw7 s SER 41 CO 0.00 -0.86 -0.20 -0.63 0.98 0.00 0.00 173.24 172.53 1aw7 s ILE 42 N -2.99 2.52 -0.13 -1.02 1.01 -0.97 -0.08 121.20 119.54 1aw7 s ILE 42 Ca 0.52 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1aw7 s ILE 42 Cb -0.11 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1aw7 s ILE 42 CO 0.48 0.57 -0.09 -0.44 0.00 0.00 0.00 174.94 175.47 1aw7 s SER 43 N -0.36 4.38 -0.35 3.58 0.01 -0.14 -0.85 113.70 119.97 1aw7 s SER 43 Ca 0.03 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.98 1aw7 s SER 43 Cb -0.12 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.51 1aw7 s SER 43 CO 0.02 0.19 0.16 -0.76 0.41 0.00 0.00 173.24 173.26 1aw7 s LEU 44 N 0.23 4.45 -0.12 2.44 1.43 -0.02 -0.89 118.68 126.20 1aw7 s LEU 44 Ca -0.06 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1aw7 s LEU 44 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1aw7 s LEU 44 CO 0.04 -0.33 -0.13 -0.63 0.23 0.00 0.00 176.35 175.53 1aw7 s ILE 45 N 1.51 3.04 0.22 -0.59 1.01 -0.79 -1.51 121.20 124.09 1aw7 s ILE 45 Ca 0.01 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.06 1aw7 s ILE 45 Cb -0.19 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1aw7 s ILE 45 CO 0.05 0.53 0.14 0.27 0.00 0.00 0.00 174.94 175.94 1aw7 s ILE 46 N 0.24 4.31 -0.39 2.92 -4.36 -0.94 -1.46 121.20 121.52 1aw7 s ILE 46 Ca -0.09 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1aw7 s ILE 46 Cb -0.15 -3.28 0.15 0.00 1.25 0.00 0.00 42.46 40.43 1aw7 s ILE 46 CO 0.05 -0.26 0.26 -0.36 0.24 0.00 0.00 174.94 174.87 1aw7 s PHE 47 N -2.00 1.10 0.10 1.37 0.40 -0.38 -1.75 117.98 116.82 1aw7 s PHE 47 Ca 0.32 -1.98 0.27 0.00 -0.60 0.00 0.00 56.93 54.94 1aw7 s PHE 47 Cb -0.09 -1.12 1.05 0.00 0.51 0.00 0.00 43.02 43.38 1aw7 s PHE 47 CO 0.23 -0.81 1.87 -1.00 0.70 0.00 0.00 175.22 176.22 1aw7 h PRO 48 N 6.56 0.00 -6.57 0.24 0.13 -1.85 -3.42 132.00 127.09 1aw7 h PRO 48 Ca 0.11 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.71 1aw7 h PRO 48 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1aw7 h PRO 48 CO 0.34 0.14 0.42 0.45 -0.23 0.00 0.00 178.00 179.12 1aw7 s SER 49 N -6.03 7.36 0.00 1.44 0.15 -1.25 -4.80 113.70 110.57 1aw7 s SER 49 Ca 0.01 1.90 0.20 0.00 0.70 0.00 0.00 55.95 58.76 1aw7 s SER 49 Cb 0.10 -2.59 0.94 0.00 -1.71 0.00 0.00 66.02 62.76 1aw7 s SER 49 CO 0.61 -0.19 1.62 -0.81 1.20 0.00 0.00 173.24 175.67 1aw7 n PRO 50 N 2.93 0.18 -0.16 5.44 -0.04 -1.26 -2.63 135.00 139.46 1aw7 n PRO 50 Ca 0.04 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 1aw7 n PRO 50 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 1aw7 n PRO 50 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1aw7 n TYR 51 N -1.37 0.42 -3.23 0.54 4.01 -1.26 -4.81 117.16 111.46 1aw7 n TYR 51 Ca 0.08 -0.29 -0.02 0.00 -0.16 0.00 0.00 57.90 57.51 1aw7 n TYR 51 Cb 0.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 1aw7 n TYR 51 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1aw7 s TYR 52 N -1.20 -1.49 -0.29 -0.72 5.04 -1.08 -3.47 117.35 114.14 1aw7 s TYR 52 Ca 0.30 0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 55.20 1aw7 s TYR 52 Cb 0.17 0.17 0.10 0.00 0.35 0.00 0.00 41.96 42.75 1aw7 s TYR 52 CO 0.24 -1.11 0.14 0.45 -1.34 0.00 0.00 175.55 173.93 1aw7 s SER 53 N 2.10 3.42 0.28 4.32 0.15 -1.26 -4.45 113.70 118.26 1aw7 s SER 53 Ca 0.14 -1.29 -0.27 0.00 0.70 0.00 0.00 55.95 55.23 1aw7 s SER 53 Cb -0.08 -0.30 -0.15 0.00 -1.71 0.00 0.00 66.02 63.78 1aw7 s SER 53 CO -0.13 -0.43 0.77 -2.65 1.20 0.00 0.00 173.24 171.99 1aw7 n PRO 54 N 5.22 0.77 0.03 5.44 -0.02 -1.26 -4.97 135.00 140.21 1aw7 n PRO 54 Ca -0.05 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1aw7 n PRO 54 Cb 0.42 -1.51 0.19 0.00 -0.02 0.00 0.00 33.50 32.59 1aw7 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aw7 n ALA 55 N -0.03 3.29 -1.31 3.55 0.00 -1.26 -5.00 120.51 119.75 1aw7 n ALA 55 Ca 0.13 -0.32 -0.49 0.00 0.00 0.00 0.00 53.44 52.75 1aw7 n ALA 55 Cb 0.31 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1aw7 n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1aw7 n PHE 56 N -1.79 0.23 -4.06 0.00 3.72 -1.26 -4.99 117.46 109.32 1aw7 n PHE 56 Ca 0.04 0.92 -0.24 0.00 -0.05 0.00 0.00 57.45 58.12 1aw7 n PHE 56 Cb 0.39 -1.83 -0.07 0.00 -0.94 0.00 0.00 39.48 37.03 1aw7 n PHE 56 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1aw7 s THR 57 N -0.30 2.42 -0.24 4.37 -4.23 -1.26 -4.80 115.64 111.59 1aw7 s THR 57 Ca 0.73 -1.66 -0.43 0.00 -1.18 0.00 0.00 61.69 59.16 1aw7 s THR 57 Cb -1.03 -2.99 -0.20 0.00 1.34 0.00 0.00 72.50 69.62 1aw7 s THR 57 CO 0.51 -0.02 1.31 1.17 -0.54 0.00 0.00 174.62 177.05 1aw7 n LYS 58 N -1.26 0.00 0.00 3.99 4.81 -1.26 -0.93 118.16 123.50 1aw7 n LYS 58 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1aw7 n LYS 58 Cb 0.64 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.21 1aw7 n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aw7 n GLY 59 N 2.69 3.19 3.80 3.14 0.00 -0.75 -4.98 105.19 112.27 1aw7 n GLY 59 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1aw7 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aw7 s GLU 60 N -0.74 2.75 -0.13 1.61 2.02 -0.11 -4.71 118.70 119.39 1aw7 s GLU 60 Ca 0.00 1.04 -0.08 0.00 0.02 0.00 0.00 54.97 55.95 1aw7 s GLU 60 Cb 0.00 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 1aw7 s GLU 60 CO 0.00 -1.25 0.15 0.15 0.02 0.00 0.00 175.26 174.32 1aw7 s LYS 61 N -4.95 3.55 0.17 1.61 -0.14 -1.26 -1.34 119.74 117.38 1aw7 s LYS 61 Ca 0.59 -0.12 0.01 0.00 -1.36 0.00 0.00 55.97 55.09 1aw7 s LYS 61 Cb -0.15 -3.22 -0.05 0.00 -1.68 0.00 0.00 37.83 32.73 1aw7 s LYS 61 CO 0.54 0.72 0.02 0.14 -0.76 0.00 0.00 175.35 176.01 1aw7 s VAL 62 N -0.86 0.53 -0.06 3.17 -7.23 -0.08 -4.49 120.40 111.38 1aw7 s VAL 62 Ca 0.14 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1aw7 s VAL 62 Cb -0.12 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1aw7 s VAL 62 CO 0.04 -0.43 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.51 1aw7 s ASP 63 N -3.16 4.54 -0.16 4.85 1.01 -0.48 -0.80 116.67 122.48 1aw7 s ASP 63 Ca 0.25 -0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.45 1aw7 s ASP 63 Cb 0.07 -1.11 -0.01 0.00 1.01 0.00 0.00 42.92 42.88 1aw7 s ASP 63 CO 0.04 0.36 -0.13 -0.76 0.21 0.00 0.00 175.17 174.89 1aw7 s LEU 64 N -0.83 2.59 -0.42 1.23 1.43 -0.34 -1.56 118.68 120.79 1aw7 s LEU 64 Ca 0.12 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1aw7 s LEU 64 Cb -0.11 -1.60 0.15 0.00 0.03 0.00 0.00 46.19 44.67 1aw7 s LEU 64 CO 0.02 0.09 0.29 0.20 0.23 0.00 0.00 176.35 177.18 1aw7 s ASN 65 N 0.79 2.63 0.27 2.29 -0.87 -0.45 -1.28 114.94 118.33 1aw7 s ASN 65 Ca -0.05 -2.78 0.05 0.00 -1.57 0.00 0.00 52.86 48.52 1aw7 s ASN 65 Cb -0.15 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.25 40.42 1aw7 s ASN 65 CO 0.01 -0.22 0.25 1.07 -2.57 0.00 0.00 177.10 175.63 1aw7 n THR 66 N 3.28 0.00 -4.41 1.60 5.66 -0.47 -4.34 114.28 115.59 1aw7 n THR 66 Ca 0.19 -1.93 -0.19 0.00 -3.05 0.00 0.00 64.05 59.07 1aw7 n THR 66 Cb 0.41 0.98 -0.14 0.00 -1.55 0.00 0.00 70.33 70.03 1aw7 n THR 66 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1aw7 s LYS 67 N -3.05 0.85 0.30 1.09 1.02 -1.26 -0.01 119.74 118.67 1aw7 s LYS 67 Ca 0.32 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.55 1aw7 s LYS 67 Cb 0.01 -0.82 -0.09 0.00 -0.52 0.00 0.00 37.83 36.41 1aw7 s LYS 67 CO 0.22 0.22 1.00 1.03 -0.92 0.00 0.00 175.35 176.91 1aw7 s ARG 68 N -0.49 4.62 -0.00 1.68 0.52 -1.26 -2.27 118.95 121.74 1aw7 s ARG 68 Ca 0.03 1.54 0.20 0.00 -0.52 0.00 0.00 55.73 56.98 1aw7 s ARG 68 Cb -0.05 -3.02 -0.23 0.00 0.52 0.00 0.00 34.95 32.16 1aw7 s ARG 68 CO -0.00 0.27 0.79 0.25 0.02 0.00 0.00 175.30 176.63 1aw7 n THR 69 N 0.94 0.00 -3.83 0.02 -2.24 0.61 -4.94 114.28 104.84 1aw7 n THR 69 Ca 0.00 -0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1aw7 n THR 69 Cb 0.48 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.57 1aw7 n THR 69 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1aw7 s LYS 70 N -2.96 2.04 0.17 -0.78 -2.85 -1.25 -5.09 119.74 109.02 1aw7 s LYS 70 Ca 0.05 -1.25 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 1aw7 s LYS 70 Cb 0.15 0.61 -0.08 0.00 -2.06 0.00 0.00 37.83 36.45 1aw7 s LYS 70 CO 0.82 -0.95 1.28 0.21 0.10 0.00 0.00 175.35 176.82 1aw7 s LYS 71 N -2.95 4.41 0.59 1.78 2.20 -1.26 -4.63 119.74 119.88 1aw7 s LYS 71 Ca 0.14 1.99 -0.19 0.00 -0.36 0.00 0.00 55.97 57.55 1aw7 s LYS 71 Cb -0.05 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1aw7 s LYS 71 CO 0.10 -0.23 1.25 -1.12 -0.36 0.00 0.00 175.35 174.98 1aw7 s SER 72 N 0.43 5.09 0.19 1.43 0.01 -1.26 -4.83 113.70 114.75 1aw7 s SER 72 Ca 0.57 2.50 -0.01 0.00 1.31 0.00 0.00 55.95 60.32 1aw7 s SER 72 Cb -0.35 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.23 1aw7 s SER 72 CO 0.36 -1.67 0.12 -1.10 0.41 0.00 0.00 173.24 171.36 1aw7 s GLN 73 N -3.25 1.16 -0.08 12.44 -0.21 -0.65 -4.95 119.66 124.12 1aw7 s GLN 73 Ca 0.77 -1.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.55 1aw7 s GLN 73 Cb -0.34 0.27 -0.03 0.00 1.00 0.00 0.00 33.01 33.91 1aw7 s GLN 73 CO 0.37 -0.37 -0.03 -1.01 -2.12 0.00 0.00 175.29 172.13 1aw7 s HIS 74 N -4.14 3.07 0.60 0.91 3.76 -1.26 0.20 115.29 118.43 1aw7 s HIS 74 Ca 0.37 0.10 -0.08 0.00 -0.15 0.00 0.00 55.06 55.30 1aw7 s HIS 74 Cb 0.07 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 1aw7 s HIS 74 CO 0.10 0.38 0.94 0.95 -0.85 0.00 0.00 174.74 176.27 1aw7 s THR 75 N -0.76 3.96 0.55 1.30 -4.23 -0.56 -4.93 115.64 110.97 1aw7 s THR 75 Ca 0.12 0.25 0.28 0.00 -1.18 0.00 0.00 61.69 61.16 1aw7 s THR 75 Cb -0.11 -3.58 0.41 0.00 1.34 0.00 0.00 72.50 70.56 1aw7 s THR 75 CO 0.02 -0.65 1.96 0.77 -0.54 0.00 0.00 174.62 176.17 1aw7 h SER 76 N -0.23 0.00 -0.05 3.99 4.64 -2.00 0.46 113.55 120.36 1aw7 h SER 76 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aw7 h SER 76 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1aw7 h SER 76 CO 0.62 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 1aw7 n GLU 77 N -4.17 1.27 -0.64 4.77 1.02 -1.26 -4.91 120.64 116.73 1aw7 n GLU 77 Ca 0.11 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1aw7 n GLU 77 Cb 0.69 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1aw7 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aw7 n GLY 78 N 0.95 0.64 3.77 0.62 0.00 0.16 -5.05 105.19 106.29 1aw7 n GLY 78 Ca 0.17 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1aw7 n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aw7 s THR 79 N -2.00 4.49 -0.22 2.61 2.01 -1.25 -4.82 115.64 116.46 1aw7 s THR 79 Ca 0.00 1.62 -0.20 0.00 0.31 0.00 0.00 61.69 63.42 1aw7 s THR 79 Cb 0.00 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 1aw7 s THR 79 CO 0.00 0.50 0.62 -0.47 -0.69 0.00 0.00 174.62 174.58 1aw7 s TYR 80 N -0.92 3.34 -0.15 4.92 5.04 -1.26 -1.50 117.35 126.81 1aw7 s TYR 80 Ca 0.35 0.87 -0.03 0.00 -2.44 0.00 0.00 57.07 55.82 1aw7 s TYR 80 Cb -0.22 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.26 1aw7 s TYR 80 CO 0.25 -0.23 -0.07 0.42 -1.34 0.00 0.00 175.55 174.58 1aw7 s ILE 81 N 2.14 3.55 -0.07 3.14 -1.09 0.13 -2.29 121.20 126.71 1aw7 s ILE 81 Ca 0.27 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1aw7 s ILE 81 Cb -0.16 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1aw7 s ILE 81 CO 0.09 0.49 0.04 -1.00 -1.23 0.00 0.00 174.94 173.34 1aw7 s HIS 82 N 0.49 3.26 -0.37 3.97 3.76 -0.03 -1.63 115.29 124.73 1aw7 s HIS 82 Ca -0.05 0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 1aw7 s HIS 82 Cb -0.15 -1.79 0.09 0.00 1.11 0.00 0.00 32.58 31.84 1aw7 s HIS 82 CO 0.03 0.53 0.13 -0.06 -0.85 0.00 0.00 174.74 174.53 1aw7 s PHE 83 N -1.00 3.50 0.47 1.40 0.40 -1.26 -0.85 117.98 120.64 1aw7 s PHE 83 Ca 0.16 -2.26 0.04 0.00 -0.60 0.00 0.00 56.93 54.27 1aw7 s PHE 83 Cb -0.12 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.53 1aw7 s PHE 83 CO 0.06 -0.91 0.05 -0.65 0.70 0.00 0.00 175.22 174.47 1aw7 s GLN 84 N 1.17 2.12 -0.03 0.44 -0.21 -0.57 -0.29 119.66 122.29 1aw7 s GLN 84 Ca 0.04 -2.22 -0.00 0.00 0.02 0.00 0.00 55.36 53.20 1aw7 s GLN 84 Cb -0.21 -1.65 0.03 0.00 1.00 0.00 0.00 33.01 32.17 1aw7 s GLN 84 CO -0.03 -0.25 0.03 -1.50 -2.12 0.00 0.00 175.29 171.42 1aw7 s ILE 85 N -2.79 0.00 0.00 1.08 2.07 -0.96 -2.21 121.20 118.39 1aw7 s ILE 85 Ca 0.21 0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1aw7 s ILE 85 Cb 0.04 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.47 1aw7 s ILE 85 CO 0.11 0.13 0.00 -0.24 -1.91 0.00 0.00 174.94 173.04 1aw7 n SER 86 N 4.52 -3.93 0.00 4.50 2.88 -0.72 -4.21 113.62 116.66 1aw7 n SER 86 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1aw7 n SER 86 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1aw7 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aw7 n GLY 87 N 0.00 0.44 3.36 0.46 0.00 -1.26 -4.68 105.19 103.51 1aw7 n GLY 87 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1aw7 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw7 s VAL 88 N -2.00 3.61 0.42 1.61 1.01 -1.26 -1.34 120.40 122.45 1aw7 s VAL 88 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.61 1aw7 s VAL 88 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1aw7 s VAL 88 CO 0.00 0.41 0.16 0.42 0.00 0.00 0.00 175.10 176.09 1aw7 s THR 89 N 1.37 0.46 0.82 3.92 -4.23 -0.60 -4.88 115.64 112.50 1aw7 s THR 89 Ca 0.04 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1aw7 s THR 89 Cb -0.14 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.48 1aw7 s THR 89 CO -0.01 0.00 1.17 0.54 -0.54 0.00 0.00 174.62 175.79 1aw7 s ASN 90 N -3.61 4.38 -0.08 3.99 2.20 -1.26 -1.38 114.94 119.18 1aw7 s ASN 90 Ca 0.24 0.80 0.11 0.00 -0.94 0.00 0.00 52.86 53.07 1aw7 s ASN 90 Cb 0.02 -1.30 0.45 0.00 -2.00 0.00 0.00 41.25 38.42 1aw7 s ASN 90 CO 0.16 -1.99 1.29 0.35 -2.94 0.00 0.00 177.10 173.98 1aw7 n THR 91 N -3.38 1.19 -2.13 0.54 -2.24 -1.26 -4.42 114.28 102.57 1aw7 n THR 91 Ca 0.08 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1aw7 n THR 91 Cb 0.61 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1aw7 n THR 91 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1aw7 s GLU 92 N -1.76 4.28 0.23 -0.78 2.12 -1.26 -4.97 118.70 116.55 1aw7 s GLU 92 Ca 0.32 2.09 0.04 0.00 0.36 0.00 0.00 54.97 57.78 1aw7 s GLU 92 Cb 0.21 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1aw7 s GLU 92 CO 0.15 -0.55 0.35 0.15 -0.54 0.00 0.00 175.26 174.82 1aw7 s LYS 93 N 1.89 3.44 0.06 4.30 -0.14 -1.26 -1.68 119.74 126.36 1aw7 s LYS 93 Ca 0.66 -0.70 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 1aw7 s LYS 93 Cb -0.36 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 1aw7 s LYS 93 CO 0.29 0.43 0.25 -0.51 -0.76 0.00 0.00 175.35 175.05 1aw7 s LEU 94 N -3.83 4.34 0.19 3.17 1.43 -0.66 -4.63 118.68 118.70 1aw7 s LEU 94 Ca 0.35 0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 1aw7 s LEU 94 Cb -0.09 -2.97 0.17 0.00 0.03 0.00 0.00 46.19 43.33 1aw7 s LEU 94 CO 0.29 0.16 1.62 -0.65 0.23 0.00 0.00 176.35 178.01 1aw7 h PRO 95 N 3.20 -0.07 -5.21 1.29 0.11 -2.00 -3.43 132.00 125.89 1aw7 h PRO 95 Ca -0.46 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.29 1aw7 h PRO 95 Cb 1.17 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1aw7 h PRO 95 CO 0.74 -0.04 -0.71 0.95 -0.21 0.00 0.00 178.00 178.72 1aw7 s THR 96 N -6.16 1.31 0.64 -1.15 -4.23 -1.26 -5.15 115.64 99.64 1aw7 s THR 96 Ca -0.14 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.11 1aw7 s THR 96 Cb 0.17 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 1aw7 s THR 96 CO 0.72 -0.66 1.11 -2.84 -0.54 0.00 0.00 174.62 172.40 1aw7 s PRO 97 N -3.73 2.90 0.10 3.99 0.02 -1.26 -4.89 135.00 132.13 1aw7 s PRO 97 Ca 0.19 1.39 0.08 0.00 0.02 0.00 0.00 61.00 62.69 1aw7 s PRO 97 Cb 0.02 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1aw7 s PRO 97 CO 0.03 -1.18 -0.21 0.96 -0.33 0.00 0.00 177.00 176.27 1aw7 s ILE 98 N -2.30 1.73 -0.38 2.83 -4.36 -0.19 -4.97 121.20 113.55 1aw7 s ILE 98 Ca 0.67 -1.53 -0.14 0.00 -0.26 0.00 0.00 60.65 59.39 1aw7 s ILE 98 Cb -0.20 -1.57 0.01 0.00 1.25 0.00 0.00 42.46 41.95 1aw7 s ILE 98 CO 0.40 -0.04 0.28 -1.61 0.24 0.00 0.00 174.94 174.21 1aw7 s GLU 99 N -1.87 3.16 -0.11 0.37 2.02 -1.26 -1.83 118.70 119.18 1aw7 s GLU 99 Ca 0.07 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 1aw7 s GLU 99 Cb -0.10 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 1aw7 s GLU 99 CO 0.04 -0.64 1.32 -0.51 0.02 0.00 0.00 175.26 175.50 1aw7 s LEU 100 N 1.69 4.23 -1.24 1.80 1.43 0.25 -4.94 118.68 121.90 1aw7 s LEU 100 Ca 0.05 1.84 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1aw7 s LEU 100 Cb -0.18 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1aw7 s LEU 100 CO 0.10 -0.75 1.85 -2.16 0.23 0.00 0.00 176.35 175.61 1aw7 s PRO 101 N 3.26 3.17 -0.03 1.29 0.04 -1.26 -3.66 135.00 137.81 1aw7 s PRO 101 Ca 0.59 -1.56 -0.30 0.00 0.04 0.00 0.00 61.00 59.77 1aw7 s PRO 101 Cb -0.25 -5.38 -0.05 0.00 0.04 0.00 0.00 34.50 28.86 1aw7 s PRO 101 CO 0.19 -3.21 1.45 -1.17 0.04 0.00 0.00 177.00 174.31 1aw7 s LEU 102 N 7.94 4.30 -0.25 -3.56 2.96 -1.26 -3.85 118.68 124.96 1aw7 s LEU 102 Ca 0.62 2.10 -0.03 0.00 -0.22 0.00 0.00 54.13 56.59 1aw7 s LEU 102 Cb 0.01 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.17 1aw7 s LEU 102 CO 0.11 -0.78 -0.03 -0.75 -1.32 0.00 0.00 176.35 173.58 1aw7 s LYS 103 N 2.97 3.04 -0.07 1.98 2.20 -0.36 -4.72 119.74 124.78 1aw7 s LYS 103 Ca 0.65 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1aw7 s LYS 103 Cb -0.31 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1aw7 s LYS 103 CO 0.26 -0.35 -0.11 0.08 -0.36 0.00 0.00 175.35 174.87 1aw7 s VAL 104 N 1.40 3.33 -0.03 4.02 1.01 -1.26 -0.95 120.40 127.92 1aw7 s VAL 104 Ca 0.02 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1aw7 s VAL 104 Cb -0.16 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1aw7 s VAL 104 CO -0.03 0.58 -0.20 -0.54 0.00 0.00 0.00 175.10 174.92 1aw7 s LYS 105 N -0.58 1.76 -0.12 2.72 1.02 -0.52 -0.98 119.74 123.04 1aw7 s LYS 105 Ca 0.08 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1aw7 s LYS 105 Cb -0.12 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1aw7 s LYS 105 CO 0.02 0.37 -0.12 0.08 -0.92 0.00 0.00 175.35 174.78 1aw7 s VAL 106 N -0.30 1.33 -1.54 3.17 1.01 0.03 -0.51 120.40 123.59 1aw7 s VAL 106 Ca 0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1aw7 s VAL 106 Cb -0.09 -1.27 0.08 0.00 0.00 0.00 0.00 36.38 35.10 1aw7 s VAL 106 CO 0.00 0.41 0.74 1.41 0.00 0.00 0.00 175.10 177.67 1aw7 n HIS 107 N 4.59 -1.89 -1.11 5.22 8.25 -0.45 -1.01 115.22 128.82 1aw7 n HIS 107 Ca -0.17 0.82 -0.04 0.00 -0.26 0.00 0.00 57.72 58.08 1aw7 n HIS 107 Cb 0.50 -3.58 -0.02 0.00 1.12 0.00 0.00 29.99 28.02 1aw7 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aw7 n GLY 108 N -1.65 0.67 3.04 -1.41 0.00 -1.26 -5.03 105.19 99.55 1aw7 n GLY 108 Ca -0.07 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 1aw7 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aw7 s LYS 109 N -2.01 1.35 -0.09 1.61 1.02 -0.18 -5.10 119.74 116.34 1aw7 s LYS 109 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 1aw7 s LYS 109 Cb 0.00 -1.19 -0.06 0.00 -0.52 0.00 0.00 37.83 36.05 1aw7 s LYS 109 CO 0.00 0.13 1.92 -0.51 -0.92 0.00 0.00 175.35 175.96 1aw7 s ASP 110 N 0.27 6.21 0.04 2.83 1.01 -1.26 -0.79 116.67 124.98 1aw7 s ASP 110 Ca -0.06 2.20 -0.30 0.00 0.71 0.00 0.00 52.55 55.10 1aw7 s ASP 110 Cb -0.11 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 1aw7 s ASP 110 CO 0.02 -1.31 1.67 -0.55 0.21 0.00 0.00 175.17 175.21 1aw7 s SER 111 N 5.22 6.62 0.53 0.27 0.15 -0.15 -4.86 113.70 121.47 1aw7 s SER 111 Ca 0.86 2.43 0.32 0.00 0.70 0.00 0.00 55.95 60.26 1aw7 s SER 111 Cb -0.35 -2.55 1.31 0.00 -1.71 0.00 0.00 66.02 62.71 1aw7 s SER 111 CO 0.36 -0.90 1.97 1.55 1.20 0.00 0.00 173.24 177.41 1aw7 h PRO 112 N 8.73 0.00 -6.30 5.44 0.13 -1.91 -3.43 132.00 134.66 1aw7 h PRO 112 Ca -0.42 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 1aw7 h PRO 112 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1aw7 h PRO 112 CO 0.93 0.05 0.44 -0.48 -0.23 0.00 0.00 178.00 178.72 1aw7 s LEU 113 N -6.36 4.30 -0.21 1.56 2.34 -1.26 -5.04 118.68 114.00 1aw7 s LEU 113 Ca 0.01 1.55 -0.04 0.00 0.06 0.00 0.00 54.13 55.71 1aw7 s LEU 113 Cb 0.09 -3.52 -0.01 0.00 -0.56 0.00 0.00 46.19 42.20 1aw7 s LEU 113 CO 0.56 -0.34 -0.05 -0.54 -1.06 0.00 0.00 176.35 174.92 1aw7 s LYS 114 N 1.51 3.40 -0.21 1.48 3.01 -1.26 -4.94 119.74 122.74 1aw7 s LYS 114 Ca 0.49 -0.62 -0.03 0.00 -1.01 0.00 0.00 55.97 54.80 1aw7 s LYS 114 Cb -0.19 -2.98 -0.00 0.00 -1.01 0.00 0.00 37.83 33.65 1aw7 s LYS 114 CO 0.22 -0.14 -0.08 -0.47 0.51 0.00 0.00 175.35 175.39 1aw7 s TYR 115 N 1.33 2.92 -0.38 3.18 5.04 -1.26 -5.08 117.35 123.10 1aw7 s TYR 115 Ca 0.04 -1.06 -0.02 0.00 -2.44 0.00 0.00 57.07 53.59 1aw7 s TYR 115 Cb -0.14 -2.06 0.09 0.00 0.35 0.00 0.00 41.96 40.20 1aw7 s TYR 115 CO -0.02 -0.59 0.14 -1.58 -1.34 0.00 0.00 175.55 172.17 1aw7 s TRP 116 N 1.41 3.52 0.30 4.97 0.52 -1.26 -4.25 118.94 124.16 1aw7 s TRP 116 Ca 0.05 -2.32 -0.30 0.00 0.02 0.00 0.00 56.10 53.56 1aw7 s TRP 116 Cb -0.14 -2.93 -0.12 0.00 -1.15 0.00 0.00 33.47 29.13 1aw7 s TRP 116 CO -0.05 -0.93 1.52 -2.30 0.02 0.00 0.00 176.95 175.21 1aw7 n PRO 117 N 4.58 2.53 -4.36 4.98 -0.02 -1.24 -4.67 135.00 136.81 1aw7 n PRO 117 Ca -0.04 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 1aw7 n PRO 117 Cb 0.42 -2.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.12 1aw7 n PRO 117 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1aw7 s LYS 118 N -0.90 3.23 0.06 -0.52 1.02 -1.26 -0.59 119.74 120.78 1aw7 s LYS 118 Ca 0.62 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.92 1aw7 s LYS 118 Cb -0.52 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1aw7 s LYS 118 CO 0.53 -0.04 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.73 1aw7 s PHE 119 N 0.98 1.09 -0.19 3.18 0.08 -0.76 -4.95 117.98 117.42 1aw7 s PHE 119 Ca -0.02 -0.46 0.11 0.00 0.12 0.00 0.00 56.93 56.68 1aw7 s PHE 119 Cb -0.15 -0.62 0.22 0.00 -0.57 0.00 0.00 43.02 41.91 1aw7 s PHE 119 CO -0.02 0.02 1.15 -0.40 -0.10 0.00 0.00 175.22 175.87 1aw7 n ASP 120 N 1.38 2.51 -4.88 1.36 5.75 -1.26 -1.02 116.55 120.37 1aw7 n ASP 120 Ca -0.21 -2.57 -0.36 0.00 -0.01 0.00 0.00 54.79 51.64 1aw7 n ASP 120 Cb 0.54 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 1aw7 n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1aw7 s LYS 121 N -1.99 3.46 0.14 0.11 1.02 -1.26 -1.65 119.74 119.57 1aw7 s LYS 121 Ca 0.21 -0.16 -0.12 0.00 0.02 0.00 0.00 55.97 55.92 1aw7 s LYS 121 Cb 0.17 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1aw7 s LYS 121 CO 0.04 0.75 1.52 -0.22 -0.92 0.00 0.00 175.35 176.52 1aw7 h LYS 122 N 4.64 0.88 -6.12 1.68 1.63 -1.58 -3.43 116.57 114.26 1aw7 h LYS 122 Ca -0.53 -0.38 -0.56 0.00 -0.85 0.00 0.00 60.65 58.33 1aw7 h LYS 122 Cb 1.22 -0.03 -0.23 0.00 -0.60 0.00 0.00 32.23 32.59 1aw7 h LYS 122 CO 0.61 1.02 -0.83 1.14 -3.45 0.00 0.00 179.45 177.94 1aw7 s GLN 123 N -4.66 1.21 -0.01 1.90 -2.07 -1.26 -1.63 119.66 113.14 1aw7 s GLN 123 Ca -0.12 -1.08 0.02 0.00 -1.82 0.00 0.00 55.36 52.36 1aw7 s GLN 123 Cb 0.11 -1.42 -0.00 0.00 -1.09 0.00 0.00 33.01 30.61 1aw7 s GLN 123 CO 0.85 0.34 -0.05 -0.51 -1.32 0.00 0.00 175.29 174.60 1aw7 s LEU 124 N -1.65 1.94 0.38 2.60 1.43 -0.94 -4.86 118.68 117.58 1aw7 s LEU 124 Ca 0.07 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.80 1aw7 s LEU 124 Cb -0.10 -0.28 -0.10 0.00 0.03 0.00 0.00 46.19 45.75 1aw7 s LEU 124 CO 0.03 0.05 1.40 0.00 0.23 0.00 0.00 176.35 178.06 1aw7 s ALA 125 N -0.02 3.45 0.29 4.21 0.00 -1.26 -2.02 121.76 126.41 1aw7 s ALA 125 Ca 0.01 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1aw7 s ALA 125 Cb -0.03 -3.55 0.69 0.00 0.00 0.00 0.00 23.12 20.23 1aw7 s ALA 125 CO -0.00 -0.92 1.76 0.82 0.00 0.00 0.00 175.76 177.42 1aw7 h ILE 126 N 2.81 0.68 -0.28 0.00 1.08 -1.84 -2.09 117.51 117.87 1aw7 h ILE 126 Ca -0.50 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1aw7 h ILE 126 Cb 1.24 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1aw7 h ILE 126 CO 0.64 0.12 0.11 0.77 -0.69 0.00 0.00 178.15 179.10 1aw7 h SER 127 N 0.68 0.35 -0.07 1.72 4.64 -1.92 -0.93 113.55 118.02 1aw7 h SER 127 Ca 0.55 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.64 1aw7 h SER 127 Cb 0.87 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1aw7 h SER 127 CO -0.40 0.32 -0.69 0.74 -0.87 0.00 0.00 176.83 175.93 1aw7 h THR 128 N 0.39 1.30 -0.39 2.95 2.02 -1.67 -2.29 112.91 115.23 1aw7 h THR 128 Ca 0.10 -1.93 -0.11 0.00 0.77 0.00 0.00 66.41 65.23 1aw7 h THR 128 Cb 0.08 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1aw7 h THR 128 CO -0.01 0.61 -0.21 -0.07 0.37 0.00 0.00 175.52 176.21 1aw7 h LEU 129 N 0.50 0.76 0.69 2.58 3.38 -0.87 -1.97 115.31 120.37 1aw7 h LEU 129 Ca -0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1aw7 h LEU 129 Cb 1.29 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1aw7 h LEU 129 CO 0.14 0.96 -0.33 -0.78 0.09 0.00 0.00 178.44 178.51 1aw7 h ASP 130 N 0.66 -0.79 -0.77 -0.43 3.58 -1.19 -1.20 116.42 116.27 1aw7 h ASP 130 Ca 0.10 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.68 1aw7 h ASP 130 Cb 0.71 0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.91 1aw7 h ASP 130 CO 0.05 -0.56 0.51 0.15 -2.88 0.00 0.00 179.24 176.51 1aw7 h PHE 131 N -0.93 0.72 -0.23 0.28 3.57 -1.32 -1.16 116.94 117.87 1aw7 h PHE 131 Ca -0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.28 1aw7 h PHE 131 Cb 0.71 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1aw7 h PHE 131 CO -0.03 0.33 -0.42 0.93 -2.23 0.00 0.00 178.31 176.89 1aw7 h GLU 132 N 0.67 0.69 0.25 1.11 4.39 -1.19 -1.04 114.58 119.46 1aw7 h GLU 132 Ca 0.36 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1aw7 h GLU 132 Cb 0.51 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1aw7 h GLU 132 CO -0.14 1.06 -0.12 0.82 -1.16 0.00 0.00 179.01 179.47 1aw7 h ILE 133 N 0.41 0.80 -0.08 3.13 2.04 -0.88 -2.96 117.51 119.97 1aw7 h ILE 133 Ca 0.01 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1aw7 h ILE 133 Cb 1.02 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1aw7 h ILE 133 CO 0.09 0.08 -0.24 0.03 0.00 0.00 0.00 178.15 178.12 1aw7 h ARG 134 N -0.53 0.14 -0.68 2.37 3.08 -1.22 -1.60 114.38 115.94 1aw7 h ARG 134 Ca -0.03 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1aw7 h ARG 134 Cb 0.40 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1aw7 h ARG 134 CO 0.06 0.38 0.20 1.25 -1.07 0.00 0.00 179.97 180.79 1aw7 h HIS 135 N 0.13 1.10 -0.14 3.04 2.76 -1.23 0.54 115.15 121.35 1aw7 h HIS 135 Ca 0.02 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 1aw7 h HIS 135 Cb 0.50 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1aw7 h HIS 135 CO 0.00 0.89 0.01 0.00 -1.30 0.00 0.00 177.93 177.53 1aw7 h ALA 136 N 1.09 0.18 -0.24 5.26 0.00 -1.25 -1.77 119.26 122.53 1aw7 h ALA 136 Ca 0.22 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1aw7 h ALA 136 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1aw7 h ALA 136 CO -0.01 -0.13 0.14 -0.07 0.00 0.00 0.00 179.25 179.18 1aw7 h LEU 137 N -0.02 0.22 -0.68 0.00 3.38 -1.09 0.36 115.31 117.49 1aw7 h LEU 137 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1aw7 h LEU 137 Cb 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1aw7 h LEU 137 CO 0.01 0.17 -0.19 0.71 0.09 0.00 0.00 178.44 179.22 1aw7 h THR 138 N 0.29 1.27 0.08 0.22 1.35 -0.90 -1.91 112.91 113.30 1aw7 h THR 138 Ca 0.09 -1.30 -0.26 0.00 -0.55 0.00 0.00 66.41 64.40 1aw7 h THR 138 Cb -0.00 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1aw7 h THR 138 CO -0.05 0.44 -1.23 -0.61 -0.25 0.00 0.00 175.52 173.83 1aw7 h GLN 139 N 0.73 0.17 0.00 4.72 4.15 -1.19 -3.14 115.11 120.55 1aw7 h GLN 139 Ca 0.11 -0.29 -0.37 0.00 0.77 0.00 0.00 58.65 58.86 1aw7 h GLN 139 Cb 0.70 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.44 1aw7 h GLN 139 CO 0.05 1.10 -2.41 -0.89 -1.93 0.00 0.00 178.83 174.75 1aw7 n ILE 140 N -3.44 1.42 0.33 2.39 5.41 0.11 -4.62 119.36 120.95 1aw7 n ILE 140 Ca -0.07 -0.54 0.09 0.00 1.00 0.00 0.00 62.75 63.23 1aw7 n ILE 140 Cb 1.00 -1.39 0.14 0.00 -0.71 0.00 0.00 39.64 38.68 1aw7 n ILE 140 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1aw7 n HIS 141 N -3.25 0.29 -1.90 1.39 8.25 -0.76 -5.01 115.22 114.24 1aw7 n HIS 141 Ca -0.44 -0.20 -0.12 0.00 -0.26 0.00 0.00 57.72 56.70 1aw7 n HIS 141 Cb 0.96 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 32.05 1aw7 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aw7 n GLY 142 N 1.04 0.39 3.72 -1.41 0.00 -0.97 -4.96 105.19 103.00 1aw7 n GLY 142 Ca 0.13 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1aw7 n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aw7 n LEU 143 N -1.53 3.88 0.00 0.99 7.94 -1.05 -1.94 117.00 125.29 1aw7 n LEU 143 Ca -0.13 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 1aw7 n LEU 143 Cb 0.52 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.94 1aw7 n LEU 143 CO 0.17 -0.11 0.00 -1.22 -1.11 0.00 0.00 177.39 175.12 1aw7 n TYR 144 N 1.93 0.00 0.76 1.96 4.01 0.11 -4.35 117.16 121.58 1aw7 n TYR 144 Ca 0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.95 1aw7 n TYR 144 Cb 0.35 -0.54 0.21 0.00 -0.31 0.00 0.00 39.34 39.05 1aw7 n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1aw7 n ARG 145 N -2.00 2.30 -3.58 -0.72 1.74 -0.82 -4.83 116.66 108.76 1aw7 n ARG 145 Ca 0.00 -1.93 -0.14 0.00 -0.77 0.00 0.00 57.85 55.02 1aw7 n ARG 145 Cb 0.00 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 1aw7 n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1aw7 s SER 146 N -1.73 -0.56 0.63 0.55 1.04 -1.26 -4.97 113.70 107.39 1aw7 s SER 146 Ca 0.34 0.82 0.32 0.00 0.48 0.00 0.00 55.95 57.91 1aw7 s SER 146 Cb 0.21 0.74 1.77 0.00 0.10 0.00 0.00 66.02 68.84 1aw7 s SER 146 CO 0.31 -0.38 2.08 0.77 0.98 0.00 0.00 173.24 177.00 1aw7 h SER 147 N 3.53 0.00 0.15 7.02 4.64 -1.94 -2.20 113.55 124.75 1aw7 h SER 147 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1aw7 h SER 147 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1aw7 h SER 147 CO 0.25 0.00 -0.07 -0.90 -0.87 0.00 0.00 176.83 175.24 1aw7 n ASP 148 N -3.40 0.76 -3.66 4.97 5.75 -1.26 -4.51 116.55 115.20 1aw7 n ASP 148 Ca 0.00 -0.99 -0.27 0.00 -0.01 0.00 0.00 54.79 53.52 1aw7 n ASP 148 Cb 0.33 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.30 1aw7 n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aw7 n LYS 149 N -0.57 1.44 0.00 0.11 5.02 -0.83 -4.83 118.16 118.50 1aw7 n LYS 149 Ca 0.18 -4.10 0.00 0.00 -2.02 0.00 0.00 58.31 52.37 1aw7 n LYS 149 Cb 0.27 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1aw7 n LYS 149 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aw7 n THR 150 N 1.98 0.00 -3.13 -0.18 -2.24 -1.26 0.05 114.28 109.51 1aw7 n THR 150 Ca 0.24 -0.18 -0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1aw7 n THR 150 Cb 0.40 1.63 0.00 0.00 -2.10 0.00 0.00 70.33 70.27 1aw7 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aw7 n GLY 151 N 0.01 2.14 0.00 3.38 0.00 -1.26 -4.06 105.19 105.40 1aw7 n GLY 151 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1aw7 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aw7 n GLY 152 N -0.02 0.27 3.62 -0.02 0.00 -1.26 -0.17 105.19 107.61 1aw7 n GLY 152 Ca -0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 1aw7 n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1aw7 s TYR 153 N -1.18 -0.23 0.18 1.61 1.13 -0.73 -0.81 117.35 117.31 1aw7 s TYR 153 Ca 0.00 0.03 0.10 0.00 -1.41 0.00 0.00 57.07 55.79 1aw7 s TYR 153 Cb 0.00 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 1aw7 s TYR 153 CO 0.00 -0.65 -0.18 1.67 -2.51 0.00 0.00 175.55 173.88 1aw7 s TRP 154 N -3.14 2.44 -0.07 -3.49 1.48 -0.86 -0.57 118.94 114.74 1aw7 s TRP 154 Ca 0.09 -0.30 -0.03 0.00 -1.06 0.00 0.00 56.10 54.80 1aw7 s TRP 154 Cb -0.01 -1.22 0.04 0.00 -1.16 0.00 0.00 33.47 31.12 1aw7 s TRP 154 CO -0.04 0.48 0.14 0.21 -4.06 0.00 0.00 176.95 173.69 1aw7 s LYS 155 N -2.64 0.07 -0.17 3.25 2.20 0.12 -2.15 119.74 120.44 1aw7 s LYS 155 Ca 0.22 0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 56.19 1aw7 s LYS 155 Cb -0.09 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.00 1aw7 s LYS 155 CO 0.11 -0.19 -0.04 0.42 -0.36 0.00 0.00 175.35 175.29 1aw7 s ILE 156 N 1.39 3.83 -0.13 5.43 1.01 0.14 -0.65 121.20 132.21 1aw7 s ILE 156 Ca -0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 1aw7 s ILE 156 Cb -0.12 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1aw7 s ILE 156 CO -0.06 0.48 -0.14 -0.89 0.00 0.00 0.00 174.94 174.34 1aw7 s THR 157 N 0.54 2.97 0.70 2.92 2.01 -0.76 -0.53 115.64 123.48 1aw7 s THR 157 Ca -0.03 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 1aw7 s THR 157 Cb -0.14 -2.25 0.07 0.00 0.01 0.00 0.00 72.50 70.19 1aw7 s THR 157 CO 0.03 0.52 1.00 -0.04 -0.69 0.00 0.00 174.62 175.44 1aw7 s MET 158 N 0.45 2.15 0.31 4.92 1.00 -0.61 0.05 119.30 127.57 1aw7 s MET 158 Ca -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 55.69 55.22 1aw7 s MET 158 Cb -0.16 -2.20 0.49 0.00 0.00 0.00 0.00 34.83 32.96 1aw7 s MET 158 CO 0.05 -1.24 1.98 -0.91 0.00 0.00 0.00 175.02 174.90 1aw7 h ASN 159 N -0.56 0.90 -0.21 3.03 2.35 0.32 -2.42 115.58 118.99 1aw7 h ASN 159 Ca -0.44 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1aw7 h ASN 159 Cb 1.31 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1aw7 h ASN 159 CO 0.58 0.65 0.00 -0.90 -1.65 0.00 0.00 177.43 176.11 1aw7 n ASP 160 N -4.42 1.92 0.00 5.81 5.68 -1.26 -4.90 116.55 119.37 1aw7 n ASP 160 Ca 0.09 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 1aw7 n ASP 160 Cb 0.03 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1aw7 n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aw7 n GLY 161 N 0.53 2.60 3.73 6.12 0.00 -0.91 -5.03 105.19 112.23 1aw7 n GLY 161 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1aw7 n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 162 N -3.27 3.90 0.05 1.61 1.04 -1.26 -4.69 113.70 111.08 1aw7 s SER 162 Ca 0.00 1.91 0.01 0.00 0.48 0.00 0.00 55.95 58.35 1aw7 s SER 162 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1aw7 s SER 162 CO 0.00 -2.43 -0.06 0.42 0.98 0.00 0.00 173.24 172.15 1aw7 s THR 163 N -2.82 0.48 0.08 2.02 -4.23 -1.26 -1.57 115.64 108.33 1aw7 s THR 163 Ca 0.63 -1.36 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1aw7 s THR 163 Cb -0.19 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 1aw7 s THR 163 CO 0.57 -0.60 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.59 1aw7 s TYR 164 N -2.26 1.27 0.09 3.99 1.51 0.31 -4.98 117.35 117.28 1aw7 s TYR 164 Ca -0.03 -0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 55.35 1aw7 s TYR 164 Cb -0.04 -0.71 0.06 0.00 -0.11 0.00 0.00 41.96 41.15 1aw7 s TYR 164 CO -0.02 0.07 0.53 1.14 -1.11 0.00 0.00 175.55 176.16 1aw7 s GLN 165 N -1.78 1.12 0.01 -0.62 1.03 -1.26 0.24 119.66 118.40 1aw7 s GLN 165 Ca -0.01 -0.37 -0.05 0.00 0.04 0.00 0.00 55.36 54.97 1aw7 s GLN 165 Cb -0.10 0.51 -0.01 0.00 0.03 0.00 0.00 33.01 33.45 1aw7 s GLN 165 CO 0.02 -0.44 0.09 0.45 -2.54 0.00 0.00 175.29 172.87 1aw7 s SER 166 N -2.33 0.09 -0.26 12.60 0.15 -0.91 -5.00 113.70 118.04 1aw7 s SER 166 Ca -0.02 -0.29 -0.21 0.00 0.70 0.00 0.00 55.95 56.13 1aw7 s SER 166 Cb -0.00 0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 1aw7 s SER 166 CO -0.07 -0.35 0.66 -0.62 1.20 0.00 0.00 173.24 174.07 1aw7 s ASP 167 N -1.40 6.60 0.55 5.45 -1.08 -1.26 -2.03 116.67 123.50 1aw7 s ASP 167 Ca -0.15 0.70 0.29 0.00 -0.52 0.00 0.00 52.55 52.87 1aw7 s ASP 167 Cb -0.08 -2.35 1.59 0.00 -1.46 0.00 0.00 42.92 40.62 1aw7 s ASP 167 CO 0.01 -0.42 2.13 -0.07 0.52 0.00 0.00 175.17 177.34 1aw7 h LEU 168 N 9.02 0.00 0.00 -1.34 3.38 -1.31 -2.97 115.31 122.10 1aw7 h LEU 168 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1aw7 h LEU 168 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1aw7 h LEU 168 CO 0.79 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.87 1aw7 n SER 169 N -3.62 0.00 -4.25 -0.43 3.41 -1.26 -4.77 113.62 102.71 1aw7 n SER 169 Ca -0.02 0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1aw7 n SER 169 Cb 0.20 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 1aw7 n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1aw7 s LYS 170 N -2.67 1.07 0.63 4.33 1.02 -1.12 -5.02 119.74 117.98 1aw7 s LYS 170 Ca 0.18 -1.48 -0.17 0.00 0.02 0.00 0.00 55.97 54.51 1aw7 s LYS 170 Cb 0.14 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 36.98 1aw7 s LYS 170 CO 0.34 -0.02 1.17 0.21 -0.92 0.00 0.00 175.35 176.13 1aw7 s LYS 171 N -3.82 2.83 0.27 1.68 2.20 -1.26 -4.84 119.74 116.80 1aw7 s LYS 171 Ca 0.19 1.66 -0.30 0.00 -0.36 0.00 0.00 55.97 57.16 1aw7 s LYS 171 Cb 0.04 -1.93 -0.13 0.00 -1.51 0.00 0.00 37.83 34.30 1aw7 s LYS 171 CO 0.02 -1.28 1.38 0.34 -0.36 0.00 0.00 175.35 175.45 1aw7 n PHE 172 N -1.98 2.24 -2.65 4.03 7.35 -1.26 -4.89 117.46 120.30 1aw7 n PHE 172 Ca 0.12 0.46 -0.42 0.00 -0.76 0.00 0.00 57.45 56.85 1aw7 n PHE 172 Cb 0.51 -2.46 -0.03 0.00 0.35 0.00 0.00 39.48 37.85 1aw7 n PHE 172 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1aw7 s GLU 173 N -0.86 3.45 0.27 -4.13 2.12 -1.26 -4.85 118.70 113.44 1aw7 s GLU 173 Ca 0.64 -1.00 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 1aw7 s GLU 173 Cb -0.61 -4.89 0.33 0.00 0.26 0.00 0.00 34.13 29.21 1aw7 s GLU 173 CO 0.53 -2.08 1.93 1.88 -0.54 0.00 0.00 175.26 176.99 1aw7 h TYR 174 N 9.66 1.17 0.00 5.30 0.05 -2.00 -2.84 116.97 128.32 1aw7 h TYR 174 Ca 0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1aw7 h TYR 174 Cb 1.03 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1aw7 h TYR 174 CO 1.19 0.75 0.00 0.09 -1.05 0.00 0.00 178.16 179.14 1aw7 n ASN 175 N -4.38 0.11 -0.29 3.88 5.03 -1.26 -2.05 115.26 116.30 1aw7 n ASN 175 Ca 0.10 0.54 0.04 0.00 0.87 0.00 0.00 54.58 56.14 1aw7 n ASN 175 Cb 0.03 -0.56 0.06 0.00 -1.02 0.00 0.00 39.78 38.29 1aw7 n ASN 175 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1aw7 n THR 176 N -1.64 0.84 -1.94 3.41 -2.24 -1.08 -4.22 114.28 107.42 1aw7 n THR 176 Ca 0.01 -1.01 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 1aw7 n THR 176 Cb 0.06 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1aw7 n THR 176 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1aw7 s GLU 177 N -1.27 4.22 0.64 -0.78 2.12 -0.87 -4.91 118.70 117.84 1aw7 s GLU 177 Ca 0.14 2.41 -0.02 0.00 0.36 0.00 0.00 54.97 57.86 1aw7 s GLU 177 Cb 0.12 -3.05 0.06 0.00 0.26 0.00 0.00 34.13 31.52 1aw7 s GLU 177 CO 0.01 -0.44 0.90 0.15 -0.54 0.00 0.00 175.26 175.34 1aw7 s LYS 178 N -1.08 2.23 0.88 4.30 -0.14 -1.26 -3.67 119.74 121.00 1aw7 s LYS 178 Ca 0.57 -0.68 -0.11 0.00 -1.36 0.00 0.00 55.97 54.38 1aw7 s LYS 178 Cb -0.44 -2.35 0.12 0.00 -1.68 0.00 0.00 37.83 33.48 1aw7 s LYS 178 CO 0.51 -1.05 1.09 -1.25 -0.76 0.00 0.00 175.35 173.89 1aw7 s PRO 179 N -5.00 1.37 0.72 -1.68 0.04 -1.23 -4.62 135.00 124.60 1aw7 s PRO 179 Ca 0.60 0.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1aw7 s PRO 179 Cb -0.09 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1aw7 s PRO 179 CO 0.42 -2.20 1.02 -2.30 0.04 0.00 0.00 177.00 173.97 1aw7 n PRO 180 N -3.88 0.55 -4.60 0.56 -0.02 -1.26 -4.69 135.00 121.66 1aw7 n PRO 180 Ca 0.08 0.24 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 1aw7 n PRO 180 Cb 0.54 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 1aw7 n PRO 180 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1aw7 s ILE 181 N -1.79 1.79 -0.20 4.25 -4.36 -0.86 -4.93 121.20 115.11 1aw7 s ILE 181 Ca 0.74 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.99 1aw7 s ILE 181 Cb -0.35 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.42 1aw7 s ILE 181 CO 0.49 0.00 0.33 0.20 0.24 0.00 0.00 174.94 176.20 1aw7 s ASN 182 N -3.68 6.38 0.44 4.36 0.01 -1.26 -2.21 114.94 118.98 1aw7 s ASN 182 Ca 0.33 0.44 0.24 0.00 -0.71 0.00 0.00 52.86 53.17 1aw7 s ASN 182 Cb 0.09 -2.19 0.90 0.00 0.41 0.00 0.00 41.25 40.46 1aw7 s ASN 182 CO 0.17 0.00 1.82 0.16 -1.51 0.00 0.00 177.10 177.73 1aw7 h ILE 183 N 4.93 0.52 0.00 0.60 3.07 -1.58 -0.64 117.51 124.40 1aw7 h ILE 183 Ca -0.38 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 64.91 1aw7 h ILE 183 Cb 1.16 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 1aw7 h ILE 183 CO 0.72 0.21 0.00 -0.90 -1.05 0.00 0.00 178.15 177.13 1aw7 n ASP 184 N -3.36 0.00 -1.01 2.16 5.75 -1.26 -2.66 116.55 116.17 1aw7 n ASP 184 Ca 0.00 -0.12 0.10 0.00 -0.01 0.00 0.00 54.79 54.77 1aw7 n ASP 184 Cb 0.44 -0.24 0.18 0.00 -1.03 0.00 0.00 41.12 40.47 1aw7 n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1aw7 n GLU 185 N -1.24 2.32 -2.38 0.11 1.02 -0.25 -4.94 120.64 115.28 1aw7 n GLU 185 Ca 0.11 -2.13 -0.42 0.00 -0.02 0.00 0.00 57.16 54.70 1aw7 n GLU 185 Cb 0.15 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 1aw7 n GLU 185 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1aw7 s ILE 186 N -1.36 4.12 -0.14 -3.67 1.01 -1.09 1.00 121.20 121.07 1aw7 s ILE 186 Ca 0.34 1.43 -0.19 0.00 0.00 0.00 0.00 60.65 62.23 1aw7 s ILE 186 Cb 0.20 -3.92 -0.16 0.00 0.01 0.00 0.00 42.46 38.59 1aw7 s ILE 186 CO 0.28 -0.05 0.41 0.50 0.00 0.00 0.00 174.94 176.08 1aw7 h LYS 187 N 7.90 0.00 -3.26 2.79 3.64 -0.59 -3.45 116.57 123.60 1aw7 h LYS 187 Ca -0.33 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 1aw7 h LYS 187 Cb 1.15 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.76 1aw7 h LYS 187 CO 0.92 0.66 -0.39 0.95 -2.27 0.00 0.00 179.45 179.32 1aw7 s THR 188 N -2.06 0.06 -0.11 1.00 -4.23 -1.08 -4.92 115.64 104.31 1aw7 s THR 188 Ca -0.15 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1aw7 s THR 188 Cb -0.01 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.34 1aw7 s THR 188 CO 0.46 -0.29 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.42 1aw7 s ILE 189 N -1.19 1.78 0.02 2.99 1.01 -1.25 -1.83 121.20 122.73 1aw7 s ILE 189 Ca -0.13 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1aw7 s ILE 189 Cb -0.06 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1aw7 s ILE 189 CO 0.03 0.50 -0.09 -1.83 0.00 0.00 0.00 174.94 173.54 1aw7 s GLU 190 N 0.66 0.67 0.04 2.79 -1.05 0.18 -1.23 118.70 120.76 1aw7 s GLU 190 Ca -0.12 -0.54 0.04 0.00 -0.15 0.00 0.00 54.97 54.20 1aw7 s GLU 190 Cb -0.16 -0.60 -0.02 0.00 -0.44 0.00 0.00 34.13 32.91 1aw7 s GLU 190 CO 0.03 0.15 -0.13 0.00 0.95 0.00 0.00 175.26 176.26 1aw7 s ALA 191 N -0.70 1.07 -0.06 -0.84 0.00 -0.12 0.15 121.76 121.27 1aw7 s ALA 191 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1aw7 s ALA 191 Cb -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1aw7 s ALA 191 CO 0.00 0.19 -0.05 -1.21 0.00 0.00 0.00 175.76 174.69 1aw7 s GLU 192 N -1.14 0.97 -0.25 0.00 2.02 0.27 -1.44 118.70 119.13 1aw7 s GLU 192 Ca 0.00 -0.13 -0.10 0.00 0.02 0.00 0.00 54.97 54.76 1aw7 s GLU 192 Cb -0.08 -1.00 -0.05 0.00 0.10 0.00 0.00 34.13 33.11 1aw7 s GLU 192 CO 0.01 -0.12 0.16 0.42 0.02 0.00 0.00 175.26 175.76 1aw7 s ILE 193 N 1.11 5.26 -2.13 -1.63 1.01 0.33 -1.77 121.20 123.37 1aw7 s ILE 193 Ca -0.08 0.15 0.31 0.00 0.00 0.00 0.00 60.65 61.03 1aw7 s ILE 193 Cb -0.14 -3.47 0.82 0.00 0.01 0.00 0.00 42.46 39.68 1aw7 s ILE 193 CO -0.01 0.32 2.10 0.59 0.00 0.00 0.00 174.94 177.94