#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk1 n GLY 3 N 0.00 0.04 3.67 0.00 0.00 -1.26 -4.94 105.19 102.70 1bk1 n GLY 3 Ca 0.00 -0.46 -0.47 0.00 0.00 0.00 0.00 46.02 45.09 1bk1 n GLY 3 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bk1 n ILE 4 N -3.94 0.22 -1.31 -0.61 2.08 -1.26 -4.86 119.36 109.68 1bk1 n ILE 4 Ca -0.09 -0.04 0.01 0.00 0.56 0.00 0.00 62.75 63.18 1bk1 n ILE 4 Cb 0.57 -1.65 0.01 0.00 -0.75 0.00 0.00 39.64 37.82 1bk1 n ILE 4 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1bk1 n ASN 5 N 4.63 0.27 -3.77 4.38 0.23 -0.26 -4.90 115.26 115.85 1bk1 n ASN 5 Ca 0.19 -1.56 -0.13 0.00 -0.53 0.00 0.00 54.58 52.55 1bk1 n ASN 5 Cb 0.29 -0.10 -0.12 0.00 -2.08 0.00 0.00 39.78 37.76 1bk1 n ASN 5 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1bk1 s TYR 6 N -0.23 -0.27 -0.20 -2.53 5.04 -0.95 -4.67 117.35 113.53 1bk1 s TYR 6 Ca 0.02 0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 55.27 1bk1 s TYR 6 Cb 0.02 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 1bk1 s TYR 6 CO 0.00 -0.17 -0.05 0.08 -1.34 0.00 0.00 175.55 174.08 1bk1 s VAL 7 N 0.64 3.43 -0.23 3.14 1.01 -1.26 -1.31 120.40 125.82 1bk1 s VAL 7 Ca -0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1bk1 s VAL 7 Cb -0.06 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1bk1 s VAL 7 CO -0.04 0.44 0.43 -1.58 0.00 0.00 0.00 175.10 174.36 1bk1 s GLN 8 N 1.23 4.12 -0.28 2.72 2.00 0.83 -4.98 119.66 125.29 1bk1 s GLN 8 Ca 0.03 0.22 -0.03 0.00 -2.00 0.00 0.00 55.36 53.58 1bk1 s GLN 8 Cb -0.14 -3.59 0.11 0.00 0.80 0.00 0.00 33.01 30.19 1bk1 s GLN 8 CO -0.01 -0.18 0.21 1.21 -0.50 0.00 0.00 175.29 176.02 1bk1 s ASN 9 N 1.30 2.51 -0.33 6.67 3.84 -1.26 -1.68 114.94 125.99 1bk1 s ASN 9 Ca 0.19 -0.94 0.03 0.00 0.21 0.00 0.00 52.86 52.35 1bk1 s ASN 9 Cb -0.15 0.08 0.10 0.00 -0.55 0.00 0.00 41.25 40.73 1bk1 s ASN 9 CO 0.09 -0.41 0.05 -0.47 -2.79 0.00 0.00 177.10 173.58 1bk1 s TYR 10 N 2.23 3.51 -1.40 0.43 5.04 -0.34 -4.67 117.35 122.16 1bk1 s TYR 10 Ca 0.09 -2.84 -0.04 0.00 -2.44 0.00 0.00 57.07 51.83 1bk1 s TYR 10 Cb -0.15 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.40 1bk1 s TYR 10 CO -0.32 -0.94 0.59 0.09 -1.34 0.00 0.00 175.55 173.63 1bk1 n ASN 11 N 4.33 -5.73 0.30 4.32 3.02 -1.26 -1.42 115.26 118.81 1bk1 n ASN 11 Ca 0.03 -0.28 0.16 0.00 -0.03 0.00 0.00 54.58 54.47 1bk1 n ASN 11 Cb 0.42 -4.54 0.92 0.00 -0.61 0.00 0.00 39.78 35.97 1bk1 n ASN 11 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1bk1 h GLY 12 N -1.36 0.00 2.00 7.41 0.00 -1.87 -1.81 103.07 107.44 1bk1 h GLY 12 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1bk1 h GLY 12 CO 0.51 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.21 1bk1 n ASN 13 N -3.53 0.33 0.12 0.19 0.23 -1.26 -1.75 115.26 109.60 1bk1 n ASN 13 Ca -0.02 0.64 0.12 0.00 -0.53 0.00 0.00 54.58 54.78 1bk1 n ASN 13 Cb 0.15 -0.69 0.47 0.00 -2.08 0.00 0.00 39.78 37.63 1bk1 n ASN 13 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1bk1 n LEU 14 N -1.93 0.68 0.00 -4.53 4.77 -0.68 -4.84 117.00 110.48 1bk1 n LEU 14 Ca -0.00 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1bk1 n LEU 14 Cb 0.06 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1bk1 n LEU 14 CO 0.08 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 1bk1 n GLY 15 N 0.30 3.46 3.37 -0.72 0.00 -0.72 -4.89 105.19 105.99 1bk1 n GLY 15 Ca 0.03 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 1bk1 n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bk1 s ASP 16 N -0.45 6.18 -0.32 1.61 2.15 0.16 -4.92 116.67 121.09 1bk1 s ASP 16 Ca 0.00 -1.45 -0.10 0.00 0.43 0.00 0.00 52.55 51.43 1bk1 s ASP 16 Cb 0.00 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1bk1 s ASP 16 CO 0.00 -0.88 0.15 0.12 -0.17 0.00 0.00 175.17 174.40 1bk1 s PHE 17 N 2.04 3.19 0.10 -5.34 5.36 -1.26 -1.71 117.98 120.35 1bk1 s PHE 17 Ca 0.07 -0.71 0.10 0.00 -0.96 0.00 0.00 56.93 55.44 1bk1 s PHE 17 Cb -0.25 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1bk1 s PHE 17 CO 0.06 -0.51 -0.25 0.99 -1.46 0.00 0.00 175.22 174.05 1bk1 s THR 18 N 1.59 2.35 0.08 0.12 2.01 -1.09 -5.01 115.64 115.69 1bk1 s THR 18 Ca 0.04 -1.60 -0.26 0.00 0.31 0.00 0.00 61.69 60.18 1bk1 s THR 18 Cb -0.18 -2.02 0.07 0.00 0.01 0.00 0.00 72.50 70.39 1bk1 s THR 18 CO 0.06 0.17 0.64 -0.72 -0.69 0.00 0.00 174.62 174.08 1bk1 s TYR 19 N -1.00 -0.58 -0.32 4.92 -0.85 -1.26 -0.95 117.35 117.30 1bk1 s TYR 19 Ca 0.14 0.62 -0.02 0.00 -0.52 0.00 0.00 57.07 57.29 1bk1 s TYR 19 Cb -0.10 0.50 0.11 0.00 0.38 0.00 0.00 41.96 42.85 1bk1 s TYR 19 CO 0.06 -0.75 0.14 0.34 -1.52 0.00 0.00 175.55 173.82 1bk1 s ASP 20 N -2.16 3.61 0.23 -0.18 -1.08 -0.26 -4.99 116.67 111.84 1bk1 s ASP 20 Ca -0.03 -1.68 -0.10 0.00 -0.52 0.00 0.00 52.55 50.22 1bk1 s ASP 20 Cb -0.01 -0.59 0.35 0.00 -1.46 0.00 0.00 42.92 41.22 1bk1 s ASP 20 CO -0.04 -0.39 1.63 -0.33 0.52 0.00 0.00 175.17 176.56 1bk1 h GLU 21 N 7.91 0.07 0.00 4.34 5.08 -1.96 -0.39 114.58 129.63 1bk1 h GLU 21 Ca -0.12 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1bk1 h GLU 21 Cb 1.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1bk1 h GLU 21 CO 0.42 0.04 -0.27 0.66 -1.00 0.00 0.00 179.01 178.87 1bk1 h SER 22 N 0.07 0.00 0.53 1.42 4.64 -1.95 -2.28 113.55 115.99 1bk1 h SER 22 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1bk1 h SER 22 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1bk1 h SER 22 CO -0.65 0.27 -0.71 0.00 -0.87 0.00 0.00 176.83 174.87 1bk1 n ALA 23 N -2.31 3.44 -1.67 5.18 0.00 -0.45 -4.95 120.51 119.75 1bk1 n ALA 23 Ca -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1bk1 n ALA 23 Cb 0.39 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 1bk1 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bk1 n GLY 24 N 1.42 0.81 3.54 0.00 0.00 -0.28 -4.75 105.19 105.94 1bk1 n GLY 24 Ca 0.04 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 1bk1 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bk1 s THR 25 N -2.52 3.01 0.06 2.61 -4.23 -1.15 -0.53 115.64 112.88 1bk1 s THR 25 Ca 0.00 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 1bk1 s THR 25 Cb 0.00 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.40 1bk1 s THR 25 CO 0.00 -0.18 0.62 0.72 -0.54 0.00 0.00 174.62 175.24 1bk1 s PHE 26 N -1.87 -0.57 0.19 3.99 -0.12 -0.33 -1.10 117.98 118.17 1bk1 s PHE 26 Ca 0.26 0.68 0.02 0.00 -0.05 0.00 0.00 56.93 57.84 1bk1 s PHE 26 Cb -0.08 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1bk1 s PHE 26 CO 0.15 -0.72 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.47 1bk1 s SER 27 N -2.00 1.43 -0.29 1.98 0.01 -0.13 -0.40 113.70 114.30 1bk1 s SER 27 Ca -0.05 -1.17 -0.08 0.00 1.31 0.00 0.00 55.95 55.96 1bk1 s SER 27 Cb -0.01 0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.44 1bk1 s SER 27 CO -0.02 -0.53 0.62 -0.32 0.41 0.00 0.00 173.24 173.40 1bk1 s MET 28 N -3.89 0.56 -0.09 12.44 0.00 0.14 -2.67 119.30 125.79 1bk1 s MET 28 Ca 0.25 1.34 0.02 0.00 0.00 0.00 0.00 55.69 57.30 1bk1 s MET 28 Cb 0.06 0.77 -0.02 0.00 0.00 0.00 0.00 34.83 35.64 1bk1 s MET 28 CO 0.05 -0.28 -0.13 0.71 0.00 0.00 0.00 175.02 175.37 1bk1 s TYR 29 N 2.87 2.77 -0.32 4.11 1.51 -0.70 -1.15 117.35 126.44 1bk1 s TYR 29 Ca -0.01 -0.38 0.17 0.00 -1.01 0.00 0.00 57.07 55.84 1bk1 s TYR 29 Cb -0.13 -1.74 0.46 0.00 -0.11 0.00 0.00 41.96 40.44 1bk1 s TYR 29 CO -0.19 0.00 1.09 -2.67 -1.11 0.00 0.00 175.55 172.68 1bk1 n TRP 30 N 2.90 0.38 0.27 2.71 2.14 -0.71 0.38 117.44 125.51 1bk1 n TRP 30 Ca -0.18 -2.43 0.12 0.00 2.07 0.00 0.00 57.50 57.08 1bk1 n TRP 30 Cb 0.52 0.11 0.75 0.00 -0.81 0.00 0.00 31.31 31.88 1bk1 n TRP 30 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 1bk1 h GLU 31 N 2.62 0.00 -0.00 -2.67 4.39 -1.88 -0.75 114.58 116.29 1bk1 h GLU 31 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1bk1 h GLU 31 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1bk1 h GLU 31 CO 0.29 0.08 -0.21 -0.25 -1.16 0.00 0.00 179.01 177.76 1bk1 n ASP 32 N -3.88 0.23 0.00 1.42 8.00 -1.26 -4.72 116.55 116.33 1bk1 n ASP 32 Ca -0.02 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1bk1 n ASP 32 Cb 0.17 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bk1 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bk1 n GLY 33 N 1.49 1.26 3.13 0.44 0.00 -0.35 -4.91 105.19 106.24 1bk1 n GLY 33 Ca 0.07 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1bk1 n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bk1 s VAL 34 N -2.87 0.58 0.00 1.61 -7.23 -0.14 -4.91 120.40 107.45 1bk1 s VAL 34 Ca 0.00 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1bk1 s VAL 34 Cb 0.00 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1bk1 s VAL 34 CO 0.00 -0.76 0.55 -1.54 -0.31 0.00 0.00 175.10 173.04 1bk1 n SER 35 N 0.39 0.94 -4.09 4.85 3.41 -1.26 -2.80 113.62 115.06 1bk1 n SER 35 Ca -0.15 -1.29 -0.08 0.00 -0.26 0.00 0.00 58.87 57.09 1bk1 n SER 35 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1bk1 n SER 35 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bk1 s SER 36 N -0.29 0.44 0.15 4.04 0.15 -1.24 -4.86 113.70 112.08 1bk1 s SER 36 Ca 0.00 -1.03 -0.30 0.00 0.70 0.00 0.00 55.95 55.32 1bk1 s SER 36 Cb 0.00 0.23 -0.07 0.00 -1.71 0.00 0.00 66.02 64.47 1bk1 s SER 36 CO 0.00 -0.63 1.02 -0.62 1.20 0.00 0.00 173.24 174.21 1bk1 s ASP 37 N -2.94 7.42 0.03 5.45 2.15 -1.26 -4.29 116.67 123.22 1bk1 s ASP 37 Ca 0.10 1.93 0.02 0.00 0.43 0.00 0.00 52.55 55.03 1bk1 s ASP 37 Cb 0.08 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1bk1 s ASP 37 CO -0.08 -0.11 -0.06 0.72 -0.17 0.00 0.00 175.17 175.47 1bk1 s PHE 38 N -0.20 0.52 -0.11 -5.34 -0.12 -0.64 -4.71 117.98 107.39 1bk1 s PHE 38 Ca 0.47 -0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1bk1 s PHE 38 Cb -0.26 -0.32 0.05 0.00 -0.63 0.00 0.00 43.02 41.85 1bk1 s PHE 38 CO 0.32 -0.10 0.07 0.08 -0.05 0.00 0.00 175.22 175.54 1bk1 s VAL 39 N -1.24 -0.05 0.12 -2.49 1.01 -0.51 -2.48 120.40 114.76 1bk1 s VAL 39 Ca -0.10 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1bk1 s VAL 39 Cb -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1bk1 s VAL 39 CO -0.00 -0.06 -0.16 0.68 0.00 0.00 0.00 175.10 175.56 1bk1 s VAL 40 N 2.13 1.48 -3.24 2.92 -7.23 -0.71 -1.19 120.40 114.56 1bk1 s VAL 40 Ca 0.03 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1bk1 s VAL 40 Cb -0.14 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1bk1 s VAL 40 CO -0.06 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 1bk1 n GLY 41 N 0.63 -2.04 3.37 2.32 0.00 -0.68 -1.22 105.19 107.57 1bk1 n GLY 41 Ca -0.16 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1bk1 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bk1 s LEU 42 N 0.00 2.30 0.00 0.99 1.43 -1.15 -0.12 118.68 122.12 1bk1 s LEU 42 Ca 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1bk1 s LEU 42 Cb 0.00 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1bk1 s LEU 42 CO 0.00 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1bk1 n GLY 43 N 1.04 1.28 3.11 -3.19 0.00 -0.43 -1.52 105.19 105.48 1bk1 n GLY 43 Ca -0.18 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1bk1 n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bk1 s TRP 44 N 0.99 0.96 0.34 1.61 0.51 -0.10 -1.11 118.94 122.15 1bk1 s TRP 44 Ca 0.00 -0.42 0.16 0.00 -2.12 0.00 0.00 56.10 53.72 1bk1 s TRP 44 Cb 0.00 -0.56 0.81 0.00 -0.81 0.00 0.00 33.47 32.91 1bk1 s TRP 44 CO 0.00 -0.00 1.84 1.79 -0.51 0.00 0.00 176.95 180.07 1bk1 h THR 45 N 4.47 1.11 -3.24 2.01 1.35 -1.86 -2.07 112.91 114.68 1bk1 h THR 45 Ca -0.37 -1.23 -0.58 0.00 -0.55 0.00 0.00 66.41 63.67 1bk1 h THR 45 Cb 1.19 1.69 -0.35 0.00 -1.73 0.00 0.00 68.15 68.95 1bk1 h THR 45 CO 0.42 0.34 -0.83 -0.89 -0.25 0.00 0.00 175.52 174.31 1bk1 s THR 46 N -4.08 1.44 0.71 6.82 2.01 -1.25 -2.64 115.64 118.64 1bk1 s THR 46 Ca -0.02 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1bk1 s THR 46 Cb 0.14 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1bk1 s THR 46 CO 0.70 0.43 1.07 -0.83 -0.69 0.00 0.00 174.62 175.30 1bk1 s GLY 47 N 1.13 1.67 0.31 4.40 0.00 0.14 -4.77 107.32 110.19 1bk1 s GLY 47 Ca -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.74 1bk1 s GLY 47 CO -0.04 0.40 0.40 -1.35 0.00 0.00 0.00 173.10 172.52 1bk1 s SER 48 N -3.76 0.75 0.00 1.64 1.04 -1.26 -4.79 113.70 107.33 1bk1 s SER 48 Ca 0.59 -1.42 0.18 0.00 0.48 0.00 0.00 55.95 55.77 1bk1 s SER 48 Cb -0.14 0.60 0.62 0.00 0.10 0.00 0.00 66.02 67.19 1bk1 s SER 48 CO 0.55 -1.17 1.46 -1.54 0.98 0.00 0.00 173.24 173.52 1bk1 n SER 49 N -1.10 1.79 -4.74 7.02 3.41 -1.26 -4.93 113.62 113.81 1bk1 n SER 49 Ca 0.02 -1.80 -0.37 0.00 -0.26 0.00 0.00 58.87 56.45 1bk1 n SER 49 Cb 0.62 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1bk1 n SER 49 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1bk1 s ASN 50 N -1.39 4.85 0.51 4.04 0.01 -1.26 -2.79 114.94 118.90 1bk1 s ASN 50 Ca 0.30 2.67 -0.20 0.00 -0.71 0.00 0.00 52.86 54.92 1bk1 s ASN 50 Cb 0.16 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 39.13 1bk1 s ASN 50 CO 0.23 -1.85 1.10 0.00 -1.51 0.00 0.00 177.10 175.08 1bk1 s ALA 51 N -1.36 2.80 -0.15 0.60 0.00 -1.26 -4.34 121.76 118.04 1bk1 s ALA 51 Ca 0.79 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.53 1bk1 s ALA 51 Cb -0.38 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1bk1 s ALA 51 CO 0.42 -0.59 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 1bk1 s ILE 52 N -1.80 1.94 -0.14 0.00 1.01 -0.63 -4.95 121.20 116.63 1bk1 s ILE 52 Ca 0.69 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 1bk1 s ILE 52 Cb -0.22 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1bk1 s ILE 52 CO 0.26 0.52 0.02 -0.89 0.00 0.00 0.00 174.94 174.85 1bk1 s THR 53 N 1.05 4.47 0.16 2.92 2.01 -1.26 -0.82 115.64 124.17 1bk1 s THR 53 Ca -0.02 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 1bk1 s THR 53 Cb -0.14 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1bk1 s THR 53 CO -0.06 0.53 0.20 -0.72 -0.69 0.00 0.00 174.62 173.88 1bk1 s TYR 54 N -0.21 0.66 -0.04 4.92 1.13 -0.21 -1.18 117.35 122.41 1bk1 s TYR 54 Ca 0.06 -1.01 -0.03 0.00 -1.41 0.00 0.00 57.07 54.69 1bk1 s TYR 54 Cb -0.12 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.51 1bk1 s TYR 54 CO 0.02 -0.66 0.11 0.45 -2.51 0.00 0.00 175.55 172.96 1bk1 s SER 55 N -3.02 -0.08 0.08 -0.18 0.15 -0.21 -1.06 113.70 109.38 1bk1 s SER 55 Ca 0.23 0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.99 1bk1 s SER 55 Cb 0.05 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1bk1 s SER 55 CO 0.03 -0.09 0.21 0.00 1.20 0.00 0.00 173.24 174.58 1bk1 s ALA 56 N 0.65 -0.31 -0.23 5.45 0.00 0.14 -0.72 121.76 126.74 1bk1 s ALA 56 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1bk1 s ALA 56 Cb -0.07 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1bk1 s ALA 56 CO -0.03 -0.48 -0.08 -1.21 0.00 0.00 0.00 175.76 173.96 1bk1 s GLU 57 N -3.53 3.00 -0.05 0.00 2.02 0.45 -4.73 118.70 115.87 1bk1 s GLU 57 Ca 0.02 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 1bk1 s GLU 57 Cb 0.03 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.37 1bk1 s GLU 57 CO -0.09 -0.32 0.02 -0.47 0.02 0.00 0.00 175.26 174.42 1bk1 s TYR 58 N 1.36 0.33 -0.32 1.61 5.04 -1.26 -0.53 117.35 123.59 1bk1 s TYR 58 Ca 0.02 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.69 1bk1 s TYR 58 Cb -0.15 -0.56 0.10 0.00 0.35 0.00 0.00 41.96 41.70 1bk1 s TYR 58 CO -0.06 -0.21 0.11 0.45 -1.34 0.00 0.00 175.55 174.50 1bk1 s SER 59 N 1.73 3.99 -0.03 4.32 0.15 -0.28 -4.95 113.70 118.63 1bk1 s SER 59 Ca 0.00 -1.68 0.22 0.00 0.70 0.00 0.00 55.95 55.19 1bk1 s SER 59 Cb -0.13 -0.85 0.37 0.00 -1.71 0.00 0.00 66.02 63.70 1bk1 s SER 59 CO -0.03 -0.41 1.15 0.00 1.20 0.00 0.00 173.24 175.14 1bk1 n ALA 60 N 4.80 2.60 -0.14 5.45 0.00 -1.26 -0.68 120.51 131.28 1bk1 n ALA 60 Ca -0.01 -2.10 -0.06 0.00 0.00 0.00 0.00 53.44 51.27 1bk1 n ALA 60 Cb 0.42 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 19.19 1bk1 n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bk1 h SER 61 N 0.97 -0.85 -0.21 0.00 4.64 -1.87 0.36 113.55 116.59 1bk1 h SER 61 Ca -0.28 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1bk1 h SER 61 Cb 1.76 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 1bk1 h SER 61 CO 0.04 -0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 1bk1 n GLY 62 N -1.41 -0.03 3.48 -0.77 0.00 -1.26 -3.22 105.19 101.98 1bk1 n GLY 62 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1bk1 n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bk1 s SER 63 N -1.01 3.99 -0.93 1.61 0.15 0.11 -4.48 113.70 113.14 1bk1 s SER 63 Ca 0.14 -0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.26 1bk1 s SER 63 Cb 0.07 -0.77 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 1bk1 s SER 63 CO 0.10 0.30 1.61 -0.44 1.20 0.00 0.00 173.24 176.01 1bk1 s SER 64 N -1.10 5.97 0.10 5.45 0.01 -0.91 -0.89 113.70 122.32 1bk1 s SER 64 Ca 0.13 -1.01 -0.07 0.00 1.31 0.00 0.00 55.95 56.31 1bk1 s SER 64 Cb -0.11 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1bk1 s SER 64 CO 0.03 -1.98 0.17 -0.55 0.41 0.00 0.00 173.24 171.32 1bk1 s SER 65 N 6.00 0.17 0.05 2.44 0.15 -1.26 -1.98 113.70 119.27 1bk1 s SER 65 Ca 0.54 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1bk1 s SER 65 Cb -0.04 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1bk1 s SER 65 CO -0.03 -0.73 -0.08 -0.31 1.20 0.00 0.00 173.24 173.29 1bk1 s TYR 66 N -3.89 0.71 -0.32 3.44 2.02 -0.20 -0.53 117.35 118.59 1bk1 s TYR 66 Ca 0.08 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1bk1 s TYR 66 Cb 0.05 -0.42 0.09 0.00 -0.40 0.00 0.00 41.96 41.28 1bk1 s TYR 66 CO -0.09 -0.09 0.00 -1.17 -1.57 0.00 0.00 175.55 172.63 1bk1 s LEU 67 N -1.75 4.36 0.13 -1.29 2.96 -0.29 -1.50 118.68 121.30 1bk1 s LEU 67 Ca -0.07 -1.92 -0.07 0.00 -0.22 0.00 0.00 54.13 51.84 1bk1 s LEU 67 Cb -0.08 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1bk1 s LEU 67 CO -0.00 -0.32 0.21 0.00 -1.32 0.00 0.00 176.35 174.91 1bk1 s ALA 68 N 0.96 0.12 -0.03 5.97 0.00 -0.52 -1.03 121.76 127.24 1bk1 s ALA 68 Ca 0.05 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 1bk1 s ALA 68 Cb -0.19 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 1bk1 s ALA 68 CO -0.07 -0.57 0.67 0.08 0.00 0.00 0.00 175.76 175.87 1bk1 s VAL 69 N -3.95 4.94 0.01 0.00 1.01 -0.44 0.50 120.40 122.47 1bk1 s VAL 69 Ca 0.15 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.53 1bk1 s VAL 69 Cb 0.05 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1bk1 s VAL 69 CO -0.03 0.33 -0.03 -0.47 0.00 0.00 0.00 175.10 174.90 1bk1 s TYR 70 N 0.29 0.30 -0.02 5.22 5.04 0.12 -1.48 117.35 126.81 1bk1 s TYR 70 Ca 0.35 -0.30 -0.20 0.00 -2.44 0.00 0.00 57.07 54.48 1bk1 s TYR 70 Cb -0.18 -0.19 0.07 0.00 0.35 0.00 0.00 41.96 42.00 1bk1 s TYR 70 CO 0.18 -0.08 0.90 0.41 -1.34 0.00 0.00 175.55 175.62 1bk1 n GLY 71 N 2.23 0.32 3.21 8.97 0.00 -0.94 -0.46 105.19 118.52 1bk1 n GLY 71 Ca -0.18 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1bk1 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bk1 s TRP 72 N -2.31 1.08 -0.04 1.61 0.52 -0.93 -0.89 118.94 117.97 1bk1 s TRP 72 Ca 0.21 -0.89 0.06 0.00 0.02 0.00 0.00 56.10 55.50 1bk1 s TRP 72 Cb -0.00 -0.60 -0.01 0.00 -1.15 0.00 0.00 33.47 31.71 1bk1 s TRP 72 CO -0.01 -0.10 -0.22 0.08 0.02 0.00 0.00 176.95 176.73 1bk1 s VAL 73 N -3.54 1.76 -0.01 4.03 1.01 0.62 -1.22 120.40 123.06 1bk1 s VAL 73 Ca 0.16 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1bk1 s VAL 73 Cb 0.05 -1.49 -0.17 0.00 0.00 0.00 0.00 36.38 34.77 1bk1 s VAL 73 CO -0.01 0.50 1.16 0.78 0.00 0.00 0.00 175.10 177.53 1bk1 h ASN 74 N 5.99 -0.27 -3.27 3.32 2.35 -1.19 -2.56 115.58 119.95 1bk1 h ASN 74 Ca -0.34 -0.24 -0.19 0.00 -0.55 0.00 0.00 56.30 54.97 1bk1 h ASN 74 Cb 1.16 0.07 -0.30 0.00 0.05 0.00 0.00 38.32 39.30 1bk1 h ASN 74 CO 0.47 0.14 -0.48 -0.47 -1.65 0.00 0.00 177.43 175.44 1bk1 s TYR 75 N -4.36 -0.36 0.30 1.19 5.04 -1.26 -2.95 117.35 114.95 1bk1 s TYR 75 Ca -0.14 0.84 -0.29 0.00 -2.44 0.00 0.00 57.07 55.04 1bk1 s TYR 75 Cb 0.02 0.05 -0.10 0.00 0.35 0.00 0.00 41.96 42.28 1bk1 s TYR 75 CO 0.54 -0.26 1.26 -2.14 -1.34 0.00 0.00 175.55 173.62 1bk1 s PRO 76 N 1.43 4.42 0.05 4.97 0.02 -1.26 -4.83 135.00 139.82 1bk1 s PRO 76 Ca -0.08 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 1bk1 s PRO 76 Cb -0.10 -3.12 -0.09 0.00 0.02 0.00 0.00 34.50 31.21 1bk1 s PRO 76 CO -0.09 -0.11 1.91 -1.14 -0.33 0.00 0.00 177.00 177.24 1bk1 s GLN 77 N -1.44 4.14 -0.08 5.54 0.74 -1.15 -4.75 119.66 122.66 1bk1 s GLN 77 Ca 0.49 2.58 -0.10 0.00 0.05 0.00 0.00 55.36 58.38 1bk1 s GLN 77 Cb -0.38 -3.99 0.02 0.00 1.10 0.00 0.00 33.01 29.76 1bk1 s GLN 77 CO 0.48 -0.92 0.26 0.00 -0.55 0.00 0.00 175.29 174.56 1bk1 s ALA 78 N 3.96 -0.65 -0.11 1.58 0.00 -0.96 -2.11 121.76 123.47 1bk1 s ALA 78 Ca 0.85 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 1bk1 s ALA 78 Cb -0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1bk1 s ALA 78 CO 0.39 -0.16 -0.00 -2.00 0.00 0.00 0.00 175.76 174.00 1bk1 s GLU 79 N -0.25 3.22 0.05 0.00 2.12 -0.15 -0.27 118.70 123.42 1bk1 s GLU 79 Ca -0.04 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.89 1bk1 s GLU 79 Cb -0.03 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 1bk1 s GLU 79 CO 0.01 0.57 -0.07 1.52 -0.54 0.00 0.00 175.26 176.74 1bk1 s TYR 80 N -0.50 0.66 0.00 5.30 -0.85 -0.07 -1.40 117.35 120.49 1bk1 s TYR 80 Ca 0.09 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.11 1bk1 s TYR 80 Cb -0.12 -0.40 -0.01 0.00 0.38 0.00 0.00 41.96 41.81 1bk1 s TYR 80 CO 0.02 -0.10 -0.06 0.71 -1.52 0.00 0.00 175.55 174.61 1bk1 s TYR 81 N -1.61 0.51 -0.42 -3.49 1.51 -0.07 -2.21 117.35 111.58 1bk1 s TYR 81 Ca -0.08 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1bk1 s TYR 81 Cb -0.08 -0.32 0.12 0.00 -0.11 0.00 0.00 41.96 41.56 1bk1 s TYR 81 CO -0.00 -0.02 0.18 0.42 -1.11 0.00 0.00 175.55 175.01 1bk1 s ILE 82 N -0.36 1.88 -0.41 2.71 1.01 -0.55 -1.70 121.20 123.77 1bk1 s ILE 82 Ca -0.00 -2.56 -0.27 0.00 0.00 0.00 0.00 60.65 57.82 1bk1 s ILE 82 Cb -0.04 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1bk1 s ILE 82 CO -0.00 -0.76 1.01 -0.69 0.00 0.00 0.00 174.94 174.49 1bk1 s VAL 83 N 0.48 4.44 0.01 2.92 1.01 0.19 -1.33 120.40 128.12 1bk1 s VAL 83 Ca 0.15 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 1bk1 s VAL 83 Cb -0.23 -4.45 -0.28 0.00 0.00 0.00 0.00 36.38 31.43 1bk1 s VAL 83 CO -0.06 -0.73 0.89 -0.33 0.00 0.00 0.00 175.10 174.87 1bk1 h GLU 84 N 8.77 0.25 -3.21 2.72 4.39 -1.38 -0.36 114.58 125.76 1bk1 h GLU 84 Ca -0.23 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 58.96 1bk1 h GLU 84 Cb 1.07 0.16 -0.16 0.00 -0.10 0.00 0.00 28.75 29.72 1bk1 h GLU 84 CO 1.04 1.13 -0.15 0.34 -1.16 0.00 0.00 179.01 180.21 1bk1 s ASP 85 N -7.00 -0.21 0.38 1.42 -1.08 -1.18 -1.47 116.67 107.53 1bk1 s ASP 85 Ca -0.08 -0.14 -0.08 0.00 -0.52 0.00 0.00 52.55 51.72 1bk1 s ASP 85 Cb 0.07 0.41 0.03 0.00 -1.46 0.00 0.00 42.92 41.97 1bk1 s ASP 85 CO 0.86 -0.69 0.65 -0.72 0.52 0.00 0.00 175.17 175.79 1bk1 s TYR 86 N -2.79 0.64 0.00 -5.34 1.13 -1.26 -1.14 117.35 108.59 1bk1 s TYR 86 Ca -0.03 -1.11 0.00 0.00 -1.41 0.00 0.00 57.07 54.52 1bk1 s TYR 86 Cb -0.00 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1bk1 s TYR 86 CO -0.05 -1.41 0.00 0.41 -2.51 0.00 0.00 175.55 172.00 1bk1 n GLY 87 N -0.57 0.58 0.37 5.49 0.00 0.32 -4.73 105.19 106.64 1bk1 n GLY 87 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1bk1 n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bk1 n ASP 88 N 0.00 1.04 -3.89 1.61 5.68 -0.07 -4.82 116.55 116.10 1bk1 n ASP 88 Ca 0.00 -2.02 -0.24 0.00 -0.50 0.00 0.00 54.79 52.04 1bk1 n ASP 88 Cb 0.00 -0.15 -0.17 0.00 -1.14 0.00 0.00 41.12 39.66 1bk1 n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1bk1 s TYR 89 N -1.74 1.09 -0.25 2.11 5.04 -1.26 -4.95 117.35 117.39 1bk1 s TYR 89 Ca 0.12 -0.43 -0.06 0.00 -2.44 0.00 0.00 57.07 54.26 1bk1 s TYR 89 Cb 0.07 -0.96 -0.02 0.00 0.35 0.00 0.00 41.96 41.40 1bk1 s TYR 89 CO 0.08 -0.35 0.05 1.21 -1.34 0.00 0.00 175.55 175.19 1bk1 s ASN 90 N 1.41 4.94 0.49 4.32 3.84 -1.26 -4.84 114.94 123.83 1bk1 s ASN 90 Ca -0.02 -0.30 0.22 0.00 0.21 0.00 0.00 52.86 52.97 1bk1 s ASN 90 Cb -0.13 -1.88 1.24 0.00 -0.55 0.00 0.00 41.25 39.93 1bk1 s ASN 90 CO -0.03 -0.05 2.02 1.55 -2.79 0.00 0.00 177.10 177.80 1bk1 h PRO 91 N 8.21 0.00 -0.01 0.43 0.13 -2.01 -2.70 132.00 136.06 1bk1 h PRO 91 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1bk1 h PRO 91 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bk1 h PRO 91 CO 0.59 0.17 0.00 0.00 -0.23 0.00 0.00 178.00 178.52 1bk1 h SER 93 N 0.89 0.24 0.00 0.00 4.64 -1.91 -3.37 113.55 114.04 1bk1 h SER 93 Ca 0.00 -0.18 -0.33 0.00 -0.47 0.00 0.00 61.79 60.81 1bk1 h SER 93 Cb 0.19 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1bk1 h SER 93 CO 0.00 0.96 -2.25 -1.54 -0.87 0.00 0.00 176.83 173.13 1bk1 n SER 94 N -3.69 1.77 -3.96 4.97 3.41 -1.21 -5.05 113.62 109.86 1bk1 n SER 94 Ca -0.03 -0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.20 1bk1 n SER 94 Cb 0.77 0.05 0.24 0.00 -0.26 0.00 0.00 64.21 65.01 1bk1 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bk1 s ALA 95 N -2.44 0.38 -0.22 7.33 0.00 -1.01 -4.99 121.76 120.82 1bk1 s ALA 95 Ca -0.23 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 1bk1 s ALA 95 Cb 0.07 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 1bk1 s ALA 95 CO 0.58 -3.63 0.72 0.95 0.00 0.00 0.00 175.76 174.37 1bk1 s THR 96 N -2.86 4.94 0.24 0.00 -4.23 -0.76 -4.88 115.64 108.09 1bk1 s THR 96 Ca 0.69 1.35 -0.31 0.00 -1.18 0.00 0.00 61.69 62.24 1bk1 s THR 96 Cb -0.13 -4.02 -0.11 0.00 1.34 0.00 0.00 72.50 69.58 1bk1 s THR 96 CO 0.57 0.03 1.61 -0.55 -0.54 0.00 0.00 174.62 175.74 1bk1 s SER 97 N 1.30 6.44 -0.00 3.99 0.15 -1.26 -1.24 113.70 123.08 1bk1 s SER 97 Ca 0.31 2.83 0.08 0.00 0.70 0.00 0.00 55.95 59.88 1bk1 s SER 97 Cb -0.16 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.43 1bk1 s SER 97 CO 0.09 -0.89 0.28 0.18 1.20 0.00 0.00 173.24 174.11 1bk1 n LEU 98 N 3.10 0.23 0.00 3.45 4.77 -0.17 -4.91 117.00 123.47 1bk1 n LEU 98 Ca 0.11 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1bk1 n LEU 98 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1bk1 n LEU 98 CO 0.63 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1bk1 n GLY 99 N 1.53 0.60 3.23 -0.72 0.00 -1.18 -4.98 105.19 103.67 1bk1 n GLY 99 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 1bk1 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bk1 s THR 100 N -1.89 1.19 -0.02 2.61 2.01 -1.26 -1.18 115.64 117.10 1bk1 s THR 100 Ca 0.00 -1.84 -0.03 0.00 0.31 0.00 0.00 61.69 60.13 1bk1 s THR 100 Cb 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1bk1 s THR 100 CO 0.00 -0.58 0.08 0.54 -0.69 0.00 0.00 174.62 173.97 1bk1 s VAL 101 N -2.66 0.03 -0.13 3.82 0.11 -0.86 -4.94 120.40 115.77 1bk1 s VAL 101 Ca 0.11 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1bk1 s VAL 101 Cb -0.02 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1bk1 s VAL 101 CO 0.02 -0.16 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.03 1bk1 s TYR 102 N -0.48 2.82 -0.21 1.54 6.14 -1.26 -0.36 117.35 125.53 1bk1 s TYR 102 Ca -0.06 -0.59 -0.27 0.00 0.64 0.00 0.00 57.07 56.80 1bk1 s TYR 102 Cb -0.04 -1.84 0.09 0.00 0.42 0.00 0.00 41.96 40.60 1bk1 s TYR 102 CO 0.00 -0.17 0.84 0.45 0.64 0.00 0.00 175.55 177.31 1bk1 s SER 103 N 0.28 -0.60 -1.46 4.32 0.15 0.11 -4.98 113.70 111.53 1bk1 s SER 103 Ca -0.09 1.00 -0.02 0.00 0.70 0.00 0.00 55.95 57.53 1bk1 s SER 103 Cb -0.15 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1bk1 s SER 103 CO 0.05 -0.31 0.25 0.47 1.20 0.00 0.00 173.24 174.90 1bk1 n ASP 104 N 1.93 -0.02 0.00 5.45 8.00 -1.26 -1.73 116.55 128.93 1bk1 n ASP 104 Ca -0.14 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1bk1 n ASP 104 Cb 0.56 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.32 1bk1 n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bk1 n GLY 105 N -2.26 0.59 3.50 0.44 0.00 -1.26 -4.99 105.19 101.21 1bk1 n GLY 105 Ca -0.31 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1bk1 n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bk1 s SER 106 N -2.10 -0.38 0.39 1.61 0.15 -0.70 -4.99 113.70 107.68 1bk1 s SER 106 Ca 0.00 -0.00 -0.10 0.00 0.70 0.00 0.00 55.95 56.55 1bk1 s SER 106 Cb 0.00 0.41 -0.06 0.00 -1.71 0.00 0.00 66.02 64.65 1bk1 s SER 106 CO 0.00 -0.66 0.74 0.42 1.20 0.00 0.00 173.24 174.95 1bk1 s THR 107 N -3.19 4.81 -0.02 6.45 -4.23 -1.26 -0.71 115.64 117.49 1bk1 s THR 107 Ca 0.05 0.55 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 1bk1 s THR 107 Cb -0.01 -3.73 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1bk1 s THR 107 CO -0.09 -0.50 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.06 1bk1 s TYR 108 N -2.34 1.13 0.24 3.99 1.51 0.51 -0.67 117.35 121.72 1bk1 s TYR 108 Ca 0.50 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 56.04 1bk1 s TYR 108 Cb -0.10 -0.76 -0.09 0.00 -0.11 0.00 0.00 41.96 40.90 1bk1 s TYR 108 CO 0.31 -0.07 0.88 -0.65 -1.11 0.00 0.00 175.55 174.92 1bk1 s GLN 109 N -0.08 4.67 -0.05 -0.62 -0.21 -0.04 -2.03 119.66 121.29 1bk1 s GLN 109 Ca 0.01 1.32 0.06 0.00 0.02 0.00 0.00 55.36 56.77 1bk1 s GLN 109 Cb -0.07 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 1bk1 s GLN 109 CO 0.00 0.47 -0.25 0.08 -2.12 0.00 0.00 175.29 173.48 1bk1 s VAL 110 N -1.30 2.02 0.26 1.09 1.01 -0.32 -0.02 120.40 123.13 1bk1 s VAL 110 Ca 0.42 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1bk1 s VAL 110 Cb -0.23 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1bk1 s VAL 110 CO 0.28 0.56 0.37 0.00 0.00 0.00 0.00 175.10 176.31 1bk1 s THR 112 N -3.83 0.10 0.16 0.00 -1.32 -0.37 -1.32 115.64 109.06 1bk1 s THR 112 Ca 0.30 -1.88 -0.23 0.00 -1.21 0.00 0.00 61.69 58.67 1bk1 s THR 112 Cb 0.02 -2.01 0.07 0.00 -1.51 0.00 0.00 72.50 69.06 1bk1 s THR 112 CO 0.13 -0.47 0.64 -0.62 -2.21 0.00 0.00 174.62 172.09 1bk1 s ASP 113 N -3.04 -0.52 -0.15 8.08 -1.08 -0.98 -1.82 116.67 117.16 1bk1 s ASP 113 Ca 0.23 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.20 1bk1 s ASP 113 Cb 0.07 0.59 -0.00 0.00 -1.46 0.00 0.00 42.92 42.12 1bk1 s ASP 113 CO 0.01 -0.97 -0.15 -0.89 0.52 0.00 0.00 175.17 173.69 1bk1 s THR 114 N -3.70 2.67 -0.24 1.71 2.01 -1.26 -0.75 115.64 116.08 1bk1 s THR 114 Ca 0.02 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1bk1 s THR 114 Cb -0.01 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1bk1 s THR 114 CO -0.11 0.52 0.11 -0.13 -0.69 0.00 0.00 174.62 174.32 1bk1 s ARG 115 N 0.80 3.84 -0.16 4.92 1.81 -0.24 -4.99 118.95 124.92 1bk1 s ARG 115 Ca -0.06 -0.39 -0.07 0.00 -1.72 0.00 0.00 55.73 53.50 1bk1 s ARG 115 Cb -0.15 -3.40 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1bk1 s ARG 115 CO 0.00 -0.06 0.07 0.95 -0.68 0.00 0.00 175.30 175.57 1bk1 s THR 116 N 1.33 4.83 -1.22 0.02 -4.23 -1.26 -1.15 115.64 113.96 1bk1 s THR 116 Ca 0.06 -0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.34 1bk1 s THR 116 Cb -0.15 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1bk1 s THR 116 CO 0.05 0.50 0.68 0.59 -0.54 0.00 0.00 174.62 175.89 1bk1 n ASN 117 N 3.18 -3.99 -4.40 3.99 3.02 -0.57 -4.87 115.26 111.62 1bk1 n ASN 117 Ca -0.17 -1.10 -0.20 0.00 -0.03 0.00 0.00 54.58 53.08 1bk1 n ASN 117 Cb 0.53 -2.82 -0.10 0.00 -0.61 0.00 0.00 39.78 36.78 1bk1 n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1bk1 s GLU 118 N -6.51 1.51 0.01 3.52 2.02 0.61 -4.63 118.70 115.23 1bk1 s GLU 118 Ca 0.39 -1.77 -0.35 0.00 0.02 0.00 0.00 54.97 53.25 1bk1 s GLU 118 Cb -0.16 -0.97 -0.14 0.00 0.10 0.00 0.00 34.13 32.96 1bk1 s GLU 118 CO 0.90 -0.03 1.66 -2.30 0.02 0.00 0.00 175.26 175.50 1bk1 n PRO 119 N -0.55 1.87 -4.14 0.39 -0.02 -1.25 -0.05 135.00 131.24 1bk1 n PRO 119 Ca -0.05 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1bk1 n PRO 119 Cb 0.64 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1bk1 n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1bk1 s SER 120 N 2.17 0.63 0.00 2.55 1.04 0.19 -4.87 113.70 115.41 1bk1 s SER 120 Ca 0.87 -1.40 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1bk1 s SER 120 Cb -0.78 0.54 0.23 0.00 0.10 0.00 0.00 66.02 66.11 1bk1 s SER 120 CO 0.47 -1.08 0.58 2.30 0.98 0.00 0.00 173.24 176.50 1bk1 n ILE 121 N -0.45 0.00 -0.69 -1.02 -5.35 -1.26 -0.15 119.36 110.44 1bk1 n ILE 121 Ca 0.02 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.53 1bk1 n ILE 121 Cb 0.63 -0.63 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 1bk1 n ILE 121 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1bk1 n THR 122 N -0.75 0.91 0.00 7.28 -2.24 -1.26 -5.08 114.28 113.14 1bk1 n THR 122 Ca 0.03 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1bk1 n THR 122 Cb 0.01 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1bk1 n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bk1 n GLY 123 N -0.58 1.09 3.01 3.38 0.00 0.79 -4.87 105.19 108.01 1bk1 n GLY 123 Ca 0.04 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1bk1 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bk1 s THR 124 N 0.00 1.42 0.31 2.61 2.01 -1.26 0.55 115.64 121.28 1bk1 s THR 124 Ca 0.00 -0.56 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 1bk1 s THR 124 Cb 0.00 -1.34 0.06 0.00 0.01 0.00 0.00 72.50 71.24 1bk1 s THR 124 CO 0.00 0.43 0.89 -0.94 -0.69 0.00 0.00 174.62 174.31 1bk1 s SER 125 N 1.33 0.01 -0.22 3.53 1.04 0.92 -4.77 113.70 115.55 1bk1 s SER 125 Ca 0.00 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 1bk1 s SER 125 Cb -0.14 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1bk1 s SER 125 CO -0.07 -1.42 0.08 -0.89 0.98 0.00 0.00 173.24 171.92 1bk1 s THR 126 N -2.21 4.64 0.22 2.02 2.01 -1.26 -0.28 115.64 120.79 1bk1 s THR 126 Ca 0.18 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 1bk1 s THR 126 Cb -0.04 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1bk1 s THR 126 CO 0.09 0.38 0.25 0.72 -0.69 0.00 0.00 174.62 175.36 1bk1 s PHE 127 N 1.11 0.93 -0.06 4.92 -0.71 -0.30 -4.94 117.98 118.93 1bk1 s PHE 127 Ca 0.05 -1.19 -0.02 0.00 -1.04 0.00 0.00 56.93 54.73 1bk1 s PHE 127 Cb -0.14 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1bk1 s PHE 127 CO 0.04 -0.76 0.04 0.99 -1.34 0.00 0.00 175.22 174.19 1bk1 s THR 128 N -4.08 4.57 0.04 -4.49 2.01 -0.90 -1.07 115.64 111.72 1bk1 s THR 128 Ca 0.34 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.09 1bk1 s THR 128 Cb 0.04 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1bk1 s THR 128 CO 0.12 0.51 0.01 -1.10 -0.69 0.00 0.00 174.62 173.47 1bk1 s GLN 129 N -1.23 2.74 -0.07 4.92 -0.21 0.07 -0.98 119.66 124.90 1bk1 s GLN 129 Ca 0.17 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 54.89 1bk1 s GLN 129 Cb -0.12 -2.65 0.01 0.00 1.00 0.00 0.00 33.01 31.26 1bk1 s GLN 129 CO 0.07 0.59 -0.13 0.71 -2.12 0.00 0.00 175.29 174.41 1bk1 s TYR 130 N -1.20 1.56 -0.02 0.91 2.02 -0.50 -2.32 117.35 117.81 1bk1 s TYR 130 Ca 0.23 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1bk1 s TYR 130 Cb -0.12 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1bk1 s TYR 130 CO 0.14 -0.30 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.60 1bk1 s PHE 131 N 0.66 1.49 -0.21 2.71 0.40 -0.43 -0.89 117.98 121.71 1bk1 s PHE 131 Ca -0.14 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1bk1 s PHE 131 Cb -0.16 -0.97 0.05 0.00 0.51 0.00 0.00 43.02 42.45 1bk1 s PHE 131 CO 0.04 -0.05 -0.05 -1.12 0.70 0.00 0.00 175.22 174.74 1bk1 s SER 132 N -0.28 3.51 -0.24 1.36 0.01 -0.69 -0.76 113.70 116.61 1bk1 s SER 132 Ca 0.04 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.20 1bk1 s SER 132 Cb -0.07 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 1bk1 s SER 132 CO -0.00 -0.22 0.10 -0.69 0.41 0.00 0.00 173.24 172.84 1bk1 s VAL 133 N 1.49 4.72 0.18 3.43 1.01 0.97 -0.64 120.40 131.57 1bk1 s VAL 133 Ca -0.04 -0.04 -0.32 0.00 0.00 0.00 0.00 61.98 61.59 1bk1 s VAL 133 Cb -0.18 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1bk1 s VAL 133 CO -0.07 0.35 1.63 -0.60 0.00 0.00 0.00 175.10 176.41 1bk1 s ARG 134 N 1.30 4.18 0.05 2.72 3.52 -0.15 -0.86 118.95 129.71 1bk1 s ARG 134 Ca 0.06 2.46 -0.18 0.00 -0.13 0.00 0.00 55.73 57.93 1bk1 s ARG 134 Cb -0.15 -3.12 -0.15 0.00 -1.56 0.00 0.00 34.95 29.97 1bk1 s ARG 134 CO 0.05 -0.66 1.29 1.49 -0.81 0.00 0.00 175.30 176.66 1bk1 h GLU 135 N 6.74 0.50 -3.81 5.12 4.57 -1.25 -3.36 114.58 123.10 1bk1 h GLU 135 Ca -0.43 -0.33 -0.76 0.00 -1.18 0.00 0.00 59.36 56.66 1bk1 h GLU 135 Cb 1.20 0.05 -0.28 0.00 -0.16 0.00 0.00 28.75 29.56 1bk1 h GLU 135 CO 0.93 0.94 -0.06 -1.12 -1.18 0.00 0.00 179.01 178.52 1bk1 s SER 136 N -6.47 6.30 0.57 1.04 0.01 -1.26 -5.05 113.70 108.83 1bk1 s SER 136 Ca -0.13 -2.65 -0.21 0.00 1.31 0.00 0.00 55.95 54.27 1bk1 s SER 136 Cb 0.06 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1bk1 s SER 136 CO 0.80 -0.54 1.31 0.35 0.41 0.00 0.00 173.24 175.57 1bk1 n THR 137 N 3.97 4.01 -4.03 1.44 -2.24 -1.26 -5.02 114.28 111.15 1bk1 n THR 137 Ca 0.10 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 1bk1 n THR 137 Cb 0.44 -1.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.03 1bk1 n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bk1 s ARG 138 N -2.94 1.61 -0.08 -0.78 1.70 -0.54 -5.00 118.95 112.91 1bk1 s ARG 138 Ca 0.74 -1.40 0.12 0.00 -0.47 0.00 0.00 55.73 54.72 1bk1 s ARG 138 Cb -0.41 0.45 0.18 0.00 -0.57 0.00 0.00 34.95 34.60 1bk1 s ARG 138 CO 0.47 -0.66 1.09 0.25 -1.08 0.00 0.00 175.30 175.37 1bk1 n THR 139 N -0.41 1.21 -3.57 4.99 -2.24 -1.26 -3.87 114.28 109.13 1bk1 n THR 139 Ca -0.01 -1.45 -0.16 0.00 -2.27 0.00 0.00 64.05 60.16 1bk1 n THR 139 Cb 0.62 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1bk1 n THR 139 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bk1 s SER 140 N -2.17 -0.70 0.00 3.42 0.15 -1.26 0.23 113.70 113.38 1bk1 s SER 140 Ca 0.20 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1bk1 s SER 140 Cb 0.18 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1bk1 s SER 140 CO 0.02 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1bk1 n GLY 141 N 1.75 0.70 3.56 9.45 0.00 -0.22 -5.00 105.19 115.43 1bk1 n GLY 141 Ca -0.17 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1bk1 n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bk1 s THR 142 N -2.11 3.52 -0.26 2.61 2.01 -1.26 -1.05 115.64 119.10 1bk1 s THR 142 Ca 0.00 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 1bk1 s THR 142 Cb 0.00 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.10 1bk1 s THR 142 CO 0.00 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.74 1bk1 s VAL 143 N -0.83 2.88 -1.09 3.82 1.01 0.00 -4.84 120.40 121.35 1bk1 s VAL 143 Ca 0.13 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1bk1 s VAL 143 Cb -0.11 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.85 1bk1 s VAL 143 CO 0.03 0.11 1.42 -0.89 0.00 0.00 0.00 175.10 175.77 1bk1 s THR 144 N 1.30 4.35 0.31 3.92 2.01 -1.26 -1.60 115.64 124.66 1bk1 s THR 144 Ca -0.02 -1.52 0.07 0.00 0.31 0.00 0.00 61.69 60.53 1bk1 s THR 144 Cb -0.18 -4.99 0.30 0.00 0.01 0.00 0.00 72.50 67.64 1bk1 s THR 144 CO -0.04 -1.80 1.75 0.58 -0.69 0.00 0.00 174.62 174.43 1bk1 h VAL 145 N 5.95 0.63 -0.76 3.82 2.07 -1.76 -2.39 116.25 123.81 1bk1 h VAL 145 Ca 0.26 -0.23 0.17 0.00 0.82 0.00 0.00 66.70 67.72 1bk1 h VAL 145 Cb 0.96 -0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 1bk1 h VAL 145 CO 1.32 0.12 0.21 0.00 0.02 0.00 0.00 177.57 179.24 1bk1 h ALA 146 N 1.68 1.02 -0.66 1.67 0.00 -1.82 -0.01 119.26 121.13 1bk1 h ALA 146 Ca 0.60 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.76 1bk1 h ALA 146 Cb 1.01 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1bk1 h ALA 146 CO -0.43 -0.33 0.44 -0.91 0.00 0.00 0.00 179.25 178.02 1bk1 h ASN 147 N 0.30 0.49 0.07 0.00 2.35 -1.78 0.64 115.58 117.64 1bk1 h ASN 147 Ca 0.43 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 56.08 1bk1 h ASN 147 Cb 0.75 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.04 1bk1 h ASN 147 CO -0.51 0.30 -0.47 0.45 -1.65 0.00 0.00 177.43 175.55 1bk1 h HIS 148 N 0.54 0.35 -0.96 1.19 3.86 -1.16 -2.99 115.15 115.98 1bk1 h HIS 148 Ca 0.30 -0.24 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1bk1 h HIS 148 Cb 0.46 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.85 1bk1 h HIS 148 CO -0.00 1.15 0.62 0.74 0.86 0.00 0.00 177.93 181.29 1bk1 h PHE 149 N -0.55 1.15 -0.54 2.45 -1.00 -0.85 -0.74 116.94 116.86 1bk1 h PHE 149 Ca -0.08 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.66 1bk1 h PHE 149 Cb 1.33 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 40.49 1bk1 h PHE 149 CO 0.21 0.62 0.05 -0.91 -1.61 0.00 0.00 178.31 176.67 1bk1 h ASN 150 N 1.15 0.89 -0.03 2.17 2.35 -0.98 0.06 115.58 121.19 1bk1 h ASN 150 Ca 0.40 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1bk1 h ASN 150 Cb 0.09 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1bk1 h ASN 150 CO -0.15 0.95 -0.01 0.15 -1.65 0.00 0.00 177.43 176.72 1bk1 h PHE 151 N 0.79 0.07 -0.38 1.19 3.04 -1.30 -3.08 116.94 117.27 1bk1 h PHE 151 Ca 0.16 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1bk1 h PHE 151 Cb 0.47 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 1bk1 h PHE 151 CO 0.03 0.41 0.25 -1.49 -2.02 0.00 0.00 178.31 175.50 1bk1 h TRP 152 N -0.29 0.48 0.00 0.41 6.55 -1.10 -1.69 115.95 120.31 1bk1 h TRP 152 Ca 0.01 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1bk1 h TRP 152 Cb 0.39 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1bk1 h TRP 152 CO 0.05 0.31 0.00 0.00 -1.05 0.00 0.00 178.44 177.75 1bk1 h ALA 153 N 1.75 1.00 0.00 1.49 0.00 -0.88 0.11 119.26 122.74 1bk1 h ALA 153 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bk1 h ALA 153 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bk1 h ALA 153 CO -0.03 0.00 -0.05 1.96 0.00 0.00 0.00 179.25 181.13 1bk1 h GLN 154 N 0.00 0.00 -0.30 0.00 4.20 -1.32 -3.25 115.11 114.44 1bk1 h GLN 154 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1bk1 h GLN 154 Cb 0.12 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 1bk1 h GLN 154 CO 0.00 0.05 -0.16 0.72 -0.67 0.00 0.00 178.83 178.77 1bk1 n HIS 155 N -3.14 0.92 0.00 2.96 8.25 -0.00 -4.96 115.22 119.25 1bk1 n HIS 155 Ca 0.02 -1.61 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 1bk1 n HIS 155 Cb 0.41 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1bk1 n HIS 155 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bk1 n GLY 156 N -1.13 2.04 3.62 -1.41 0.00 -1.19 -5.04 105.19 102.09 1bk1 n GLY 156 Ca 0.31 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.85 1bk1 n GLY 156 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bk1 n PHE 157 N -0.31 2.14 -0.21 1.61 7.35 -1.03 -4.83 117.46 122.17 1bk1 n PHE 157 Ca 0.00 0.03 0.29 0.00 -0.76 0.00 0.00 57.45 57.00 1bk1 n PHE 157 Cb 0.00 -2.65 0.70 0.00 0.35 0.00 0.00 39.48 37.88 1bk1 n PHE 157 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1bk1 h GLY 158 N 10.75 0.12 -2.97 7.13 0.00 -1.88 -3.37 103.07 112.86 1bk1 h GLY 158 Ca -0.43 -0.02 -0.34 0.00 0.00 0.00 0.00 47.33 46.53 1bk1 h GLY 158 CO 0.96 -0.01 -0.41 -2.01 0.00 0.00 0.00 176.54 175.07 1bk1 n ASN 159 N -4.29 -4.91 -3.60 0.19 5.15 -1.26 -4.87 115.26 101.68 1bk1 n ASN 159 Ca 0.20 0.14 -0.01 0.00 -0.60 0.00 0.00 54.58 54.31 1bk1 n ASN 159 Cb 0.98 -4.17 0.01 0.00 -0.53 0.00 0.00 39.78 36.07 1bk1 n ASN 159 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1bk1 s SER 160 N -2.12 -0.05 -1.16 1.20 1.04 -1.26 -5.02 113.70 106.33 1bk1 s SER 160 Ca 0.00 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1bk1 s SER 160 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1bk1 s SER 160 CO 0.00 -0.67 0.98 -0.67 0.98 0.00 0.00 173.24 173.86 1bk1 n ASP 161 N -0.86 -2.90 -4.76 7.02 2.03 -1.26 -4.65 116.55 111.16 1bk1 n ASP 161 Ca -0.04 -0.63 -0.39 0.00 0.52 0.00 0.00 54.79 54.25 1bk1 n ASP 161 Cb 0.60 -5.12 -0.06 0.00 -0.72 0.00 0.00 41.12 35.83 1bk1 n ASP 161 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1bk1 s PHE 162 N -3.36 3.88 0.00 -0.67 0.08 -1.26 -0.71 117.98 115.93 1bk1 s PHE 162 Ca 0.09 1.85 0.00 0.00 0.12 0.00 0.00 56.93 58.99 1bk1 s PHE 162 Cb -0.01 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1bk1 s PHE 162 CO 0.73 0.37 0.00 -1.71 -0.10 0.00 0.00 175.22 174.51 1bk1 n ASN 163 N 1.15 0.00 -4.78 1.36 2.85 -0.35 -4.35 115.26 111.13 1bk1 n ASN 163 Ca -0.01 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.15 1bk1 n ASN 163 Cb 0.48 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.58 1bk1 n ASN 163 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1bk1 s TYR 164 N 3.77 2.73 -0.13 1.20 -0.85 -1.08 0.25 117.35 123.24 1bk1 s TYR 164 Ca 0.00 1.47 -0.07 0.00 -0.52 0.00 0.00 57.07 57.95 1bk1 s TYR 164 Cb 0.00 -3.01 0.05 0.00 0.38 0.00 0.00 41.96 39.38 1bk1 s TYR 164 CO 0.00 -1.67 0.31 -1.14 -1.52 0.00 0.00 175.55 171.52 1bk1 s GLN 165 N -4.96 0.27 0.10 -3.49 0.74 -0.78 -2.20 119.66 109.35 1bk1 s GLN 165 Ca 0.60 0.62 -0.05 0.00 0.05 0.00 0.00 55.36 56.58 1bk1 s GLN 165 Cb -0.16 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.85 1bk1 s GLN 165 CO 0.56 -0.16 0.12 0.14 -0.55 0.00 0.00 175.29 175.40 1bk1 s VAL 166 N 1.29 0.14 -0.25 1.34 -7.23 0.39 -0.92 120.40 115.15 1bk1 s VAL 166 Ca -0.09 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 1bk1 s VAL 166 Cb -0.09 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1bk1 s VAL 166 CO -0.10 -0.64 0.63 -0.32 -0.31 0.00 0.00 175.10 174.37 1bk1 s MET 167 N -3.94 4.12 0.27 4.82 1.75 -0.58 -0.70 119.30 125.04 1bk1 s MET 167 Ca 0.12 0.56 0.06 0.00 -1.25 0.00 0.00 55.69 55.18 1bk1 s MET 167 Cb 0.06 -3.65 -0.06 0.00 2.84 0.00 0.00 34.83 34.03 1bk1 s MET 167 CO -0.06 -0.40 -0.04 0.00 -0.65 0.00 0.00 175.02 173.86 1bk1 s ALA 168 N 2.48 2.22 -0.05 4.11 0.00 0.18 -2.96 121.76 127.74 1bk1 s ALA 168 Ca 0.26 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1bk1 s ALA 168 Cb -0.15 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1bk1 s ALA 168 CO 0.08 -0.12 -0.15 0.08 0.00 0.00 0.00 175.76 175.66 1bk1 s VAL 169 N -3.11 1.27 0.03 0.00 1.01 -0.36 -1.44 120.40 117.80 1bk1 s VAL 169 Ca 0.29 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1bk1 s VAL 169 Cb 0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1bk1 s VAL 169 CO 0.11 0.38 -0.06 -0.70 0.00 0.00 0.00 175.10 174.83 1bk1 s GLU 170 N 0.24 0.43 -0.09 2.72 2.12 -0.57 -1.74 118.70 121.82 1bk1 s GLU 170 Ca -0.07 -0.55 -0.25 0.00 0.36 0.00 0.00 54.97 54.46 1bk1 s GLU 170 Cb -0.12 -0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.10 1bk1 s GLU 170 CO 0.03 0.04 0.58 0.00 -0.54 0.00 0.00 175.26 175.36 1bk1 s ALA 171 N -1.02 -1.47 0.00 6.30 0.00 -1.04 -1.03 121.76 123.50 1bk1 s ALA 171 Ca -0.08 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1bk1 s ALA 171 Cb -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1bk1 s ALA 171 CO -0.00 -0.32 0.64 -2.67 0.00 0.00 0.00 175.76 173.40 1bk1 n TRP 172 N 1.45 0.00 -3.62 0.00 2.14 -0.84 -1.62 117.44 114.95 1bk1 n TRP 172 Ca -0.18 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.31 1bk1 n TRP 172 Cb 0.56 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 31.00 1bk1 n TRP 172 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1bk1 s SER 173 N -0.30 -0.29 0.02 -0.67 0.15 -1.25 -3.68 113.70 107.66 1bk1 s SER 173 Ca 0.00 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1bk1 s SER 173 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1bk1 s SER 173 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1bk1 n GLY 174 N 1.45 -2.08 3.27 9.45 0.00 -1.12 -2.15 105.19 114.01 1bk1 n GLY 174 Ca -0.10 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 1bk1 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bk1 s ALA 175 N -1.02 1.61 0.00 4.61 0.00 -1.26 -0.96 121.76 124.74 1bk1 s ALA 175 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1bk1 s ALA 175 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1bk1 s ALA 175 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1bk1 n GLY 176 N 0.08 1.17 3.27 0.00 0.00 -0.84 -4.10 105.19 104.77 1bk1 n GLY 176 Ca -0.12 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1bk1 n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bk1 s SER 177 N -0.34 -0.23 -0.28 1.61 0.15 0.14 -1.73 113.70 113.03 1bk1 s SER 177 Ca 0.00 0.08 -0.20 0.00 0.70 0.00 0.00 55.95 56.54 1bk1 s SER 177 Cb 0.00 0.35 0.09 0.00 -1.71 0.00 0.00 66.02 64.75 1bk1 s SER 177 CO 0.00 -0.51 0.77 0.00 1.20 0.00 0.00 173.24 174.71 1bk1 s ALA 178 N -1.61 -1.91 -0.05 5.45 0.00 -0.30 -1.13 121.76 122.20 1bk1 s ALA 178 Ca -0.11 2.22 0.02 0.00 0.00 0.00 0.00 51.96 54.09 1bk1 s ALA 178 Cb -0.04 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1bk1 s ALA 178 CO 0.03 -0.35 -0.08 0.45 0.00 0.00 0.00 175.76 175.81 1bk1 s SER 179 N 1.08 1.32 -0.01 0.00 0.15 0.31 0.26 113.70 116.82 1bk1 s SER 179 Ca -0.06 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1bk1 s SER 179 Cb -0.05 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1bk1 s SER 179 CO -0.12 -0.01 -0.01 -0.69 1.20 0.00 0.00 173.24 173.61 1bk1 s VAL 180 N 0.74 0.14 -0.07 4.45 1.01 0.47 -0.41 120.40 126.73 1bk1 s VAL 180 Ca -0.13 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1bk1 s VAL 180 Cb -0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1bk1 s VAL 180 CO 0.02 0.06 -0.22 -0.89 0.00 0.00 0.00 175.10 174.07 1bk1 s THR 181 N 0.13 1.82 -0.24 3.92 2.01 0.11 -1.18 115.64 122.21 1bk1 s THR 181 Ca -0.01 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1bk1 s THR 181 Cb -0.03 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1bk1 s THR 181 CO -0.00 0.51 0.03 -0.63 -0.69 0.00 0.00 174.62 173.84 1bk1 s ILE 182 N 0.12 4.01 -2.25 1.82 1.01 0.31 -1.04 121.20 125.18 1bk1 s ILE 182 Ca -0.10 -0.27 0.30 0.00 0.00 0.00 0.00 60.65 60.58 1bk1 s ILE 182 Cb -0.15 -2.86 0.73 0.00 0.01 0.00 0.00 42.46 40.19 1bk1 s ILE 182 CO 0.05 0.37 1.99 -0.24 0.00 0.00 0.00 174.94 177.11