#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs1 n SER 2 N 0.00 0.00 -0.07 0.00 2.88 -1.26 -5.02 113.62 110.15 2bs1 n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2bs1 n SER 2 Cb 0.00 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.00 2bs1 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bs1 n ASN 3 N 0.00 0.37 -4.31 -3.46 0.23 -1.26 -4.56 115.26 102.28 2bs1 n ASN 3 Ca 0.00 -0.27 -0.40 0.00 -0.53 0.00 0.00 54.58 53.38 2bs1 n ASN 3 Cb 0.00 -0.11 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 2bs1 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2bs1 n PHE 4 N -1.18 3.86 -4.40 -2.53 -0.00 -1.26 -4.89 117.46 107.06 2bs1 n PHE 4 Ca 0.11 -2.56 -0.20 0.00 -0.00 0.00 0.00 57.45 54.79 2bs1 n PHE 4 Cb 0.30 -2.54 -0.10 0.00 -0.00 0.00 0.00 39.48 37.14 2bs1 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2bs1 s THR 5 N 5.18 1.76 0.61 -2.13 -4.23 -1.26 -4.87 115.64 110.69 2bs1 s THR 5 Ca 0.55 -2.19 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2bs1 s THR 5 Cb 0.06 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2bs1 s THR 5 CO 0.05 -0.43 1.03 0.00 -0.54 0.00 0.00 174.62 174.74 2bs1 s GLN 6 N -3.67 3.52 0.17 3.99 -2.07 -1.26 -4.65 119.66 115.70 2bs1 s GLN 6 Ca 0.27 0.86 -0.17 0.00 -1.82 0.00 0.00 55.36 54.50 2bs1 s GLN 6 Cb 0.01 -2.07 0.03 0.00 -1.09 0.00 0.00 33.01 29.89 2bs1 s GLN 6 CO 0.10 -0.63 0.48 -0.59 -1.32 0.00 0.00 175.29 173.34 2bs1 s PHE 7 N -2.99 -0.13 -0.42 9.60 -0.71 -0.58 -5.00 117.98 117.75 2bs1 s PHE 7 Ca 0.57 -0.20 -0.23 0.00 -1.04 0.00 0.00 56.93 56.02 2bs1 s PHE 7 Cb -0.12 0.34 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2bs1 s PHE 7 CO 0.48 -0.85 0.79 0.54 -1.34 0.00 0.00 175.22 174.84 2bs1 s VAL 8 N -3.86 4.67 0.06 -2.49 0.11 -1.26 -0.77 120.40 116.87 2bs1 s VAL 8 Ca 0.08 0.63 -0.15 0.00 -2.93 0.00 0.00 61.98 59.60 2bs1 s VAL 8 Cb -0.00 -4.28 -0.22 0.00 -1.53 0.00 0.00 36.38 30.35 2bs1 s VAL 8 CO -0.05 -0.61 1.20 0.25 -3.33 0.00 0.00 175.10 172.55 2bs1 h LEU 9 N 10.00 0.84 -7.77 2.54 5.85 -0.76 -3.43 115.31 122.57 2bs1 h LEU 9 Ca -0.25 -0.72 -0.62 0.00 0.84 0.00 0.00 57.88 57.14 2bs1 h LEU 9 Cb 1.09 -0.25 -0.37 0.00 0.37 0.00 0.00 40.66 41.49 2bs1 h LEU 9 CO 0.94 1.44 -0.81 -0.69 -0.34 0.00 0.00 178.44 178.98 2bs1 s VAL 10 N -3.40 1.66 -0.17 1.05 1.01 -0.60 -4.98 120.40 114.98 2bs1 s VAL 10 Ca -0.11 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 2bs1 s VAL 10 Cb 0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2bs1 s VAL 10 CO 0.90 0.12 0.32 -0.62 0.00 0.00 0.00 175.10 175.82 2bs1 s ASP 11 N 1.38 6.44 -0.28 3.32 2.15 -1.26 -0.30 116.67 128.12 2bs1 s ASP 11 Ca -0.02 0.52 0.18 0.00 0.43 0.00 0.00 52.55 53.66 2bs1 s ASP 11 Cb -0.17 -2.20 0.49 0.00 -0.30 0.00 0.00 42.92 40.75 2bs1 s ASP 11 CO -0.08 0.06 1.11 0.59 -0.17 0.00 0.00 175.17 176.68 2bs1 n ASN 12 N 3.78 2.41 -2.76 -0.34 3.02 -1.26 -4.99 115.26 115.11 2bs1 n ASN 12 Ca -0.11 -2.52 -0.04 0.00 -0.03 0.00 0.00 54.58 51.89 2bs1 n ASN 12 Cb 0.52 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2bs1 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs1 n GLY 13 N -0.58 -2.99 5.00 7.41 0.00 -1.26 -4.15 105.19 108.62 2bs1 n GLY 13 Ca 0.16 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2bs1 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs1 n GLY 14 N 0.25 -0.02 3.67 -0.02 0.00 -1.26 -4.75 105.19 103.07 2bs1 n GLY 14 Ca 0.05 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2bs1 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bs1 s THR 15 N 0.00 4.48 0.00 2.61 -4.23 -1.26 -4.28 115.64 112.95 2bs1 s THR 15 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2bs1 s THR 15 Cb 0.00 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2bs1 s THR 15 CO 0.00 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 2bs1 n GLY 16 N 2.55 0.68 3.77 3.99 0.00 -1.26 -4.69 105.19 110.22 2bs1 n GLY 16 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2bs1 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs1 s ASP 17 N -2.74 6.29 -0.44 1.61 1.11 -1.26 -4.64 116.67 116.61 2bs1 s ASP 17 Ca 0.00 2.29 -0.11 0.00 0.18 0.00 0.00 52.55 54.91 2bs1 s ASP 17 Cb 0.00 -2.60 0.08 0.00 1.07 0.00 0.00 42.92 41.47 2bs1 s ASP 17 CO 0.00 -0.83 0.31 -0.69 1.18 0.00 0.00 175.17 175.14 2bs1 s VAL 18 N -1.53 4.52 -0.05 -1.27 1.01 0.59 -4.97 120.40 118.69 2bs1 s VAL 18 Ca 0.62 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2bs1 s VAL 18 Cb -0.28 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2bs1 s VAL 18 CO 0.35 -0.55 0.09 0.28 0.00 0.00 0.00 175.10 175.26 2bs1 s THR 19 N 1.48 4.88 0.07 3.92 -1.32 -1.26 -0.00 115.64 123.41 2bs1 s THR 19 Ca 0.03 -0.21 0.08 0.00 -1.21 0.00 0.00 61.69 60.38 2bs1 s THR 19 Cb -0.24 -3.18 -0.03 0.00 -1.51 0.00 0.00 72.50 67.55 2bs1 s THR 19 CO 0.03 0.46 -0.21 0.54 -2.21 0.00 0.00 174.62 173.24 2bs1 s VAL 20 N -1.10 1.70 0.10 5.08 0.11 0.05 -4.41 120.40 121.94 2bs1 s VAL 20 Ca 0.19 -1.35 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 2bs1 s VAL 20 Cb -0.12 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 2bs1 s VAL 20 CO 0.10 0.10 -0.10 0.00 -3.33 0.00 0.00 175.10 171.87 2bs1 s ALA 21 N -0.95 1.10 0.10 1.54 0.00 -0.74 -1.53 121.76 121.28 2bs1 s ALA 21 Ca 0.07 -1.20 -0.36 0.00 0.00 0.00 0.00 51.96 50.48 2bs1 s ALA 21 Cb -0.09 0.04 -0.16 0.00 0.00 0.00 0.00 23.12 22.90 2bs1 s ALA 21 CO 0.03 -0.05 1.41 -2.30 0.00 0.00 0.00 175.76 174.85 2bs1 n PRO 22 N 0.53 1.40 0.00 0.00 -0.02 -1.26 -1.26 135.00 134.39 2bs1 n PRO 22 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2bs1 n PRO 22 Cb 0.58 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2bs1 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bs1 n SER 23 N 2.81 1.76 -3.45 2.55 3.41 0.21 -4.84 113.62 116.07 2bs1 n SER 23 Ca 0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 2bs1 n SER 23 Cb 0.21 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2bs1 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bs1 s ASN 24 N -1.31 -0.57 0.00 4.04 3.84 -1.17 -4.99 114.94 114.78 2bs1 s ASN 24 Ca 0.00 0.14 0.01 0.00 0.21 0.00 0.00 52.86 53.21 2bs1 s ASN 24 Cb 0.00 0.57 0.01 0.00 -0.55 0.00 0.00 41.25 41.28 2bs1 s ASN 24 CO 0.00 -0.87 0.80 0.33 -2.79 0.00 0.00 177.10 174.58 2bs1 n PHE 25 N -0.12 0.00 -2.14 0.43 -0.00 -1.25 -0.47 117.46 113.91 2bs1 n PHE 25 Ca -0.17 -0.02 -0.41 0.00 -0.00 0.00 0.00 57.45 56.86 2bs1 n PHE 25 Cb 0.63 0.08 -0.02 0.00 -0.00 0.00 0.00 39.48 40.16 2bs1 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bs1 s ALA 26 N 0.00 3.51 -1.56 3.13 0.00 -1.25 -2.99 121.76 122.59 2bs1 s ALA 26 Ca 0.01 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2bs1 s ALA 26 Cb 0.01 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2bs1 s ALA 26 CO -0.00 -0.61 0.00 0.09 0.00 0.00 0.00 175.76 175.23 2bs1 n ASN 27 N 1.12 -5.17 -0.42 0.00 3.02 -1.26 -2.64 115.26 109.91 2bs1 n ASN 27 Ca 0.01 0.04 -0.05 0.00 -0.03 0.00 0.00 54.58 54.55 2bs1 n ASN 27 Cb 0.42 -4.24 -0.02 0.00 -0.61 0.00 0.00 39.78 35.32 2bs1 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs1 n GLY 28 N -0.99 0.73 3.22 7.41 0.00 -1.16 -4.98 105.19 109.42 2bs1 n GLY 28 Ca -0.21 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2bs1 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs1 s VAL 29 N -1.95 3.21 -0.03 1.61 1.01 -1.08 -4.67 120.40 118.49 2bs1 s VAL 29 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2bs1 s VAL 29 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2bs1 s VAL 29 CO 0.00 0.01 1.10 0.00 0.00 0.00 0.00 175.10 176.20 2bs1 s ALA 30 N 1.33 3.37 0.03 5.51 0.00 -0.32 -3.90 121.76 127.80 2bs1 s ALA 30 Ca -0.02 0.58 0.09 0.00 0.00 0.00 0.00 51.96 52.61 2bs1 s ALA 30 Cb -0.18 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2bs1 s ALA 30 CO -0.01 -0.54 -0.25 -2.00 0.00 0.00 0.00 175.76 172.96 2bs1 s GLU 31 N 1.67 1.92 -0.04 0.00 2.12 0.38 -1.04 118.70 123.71 2bs1 s GLU 31 Ca 0.53 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.84 2bs1 s GLU 31 Cb -0.23 -2.03 0.01 0.00 0.26 0.00 0.00 34.13 32.14 2bs1 s GLU 31 CO 0.24 0.53 -0.08 -1.58 -0.54 0.00 0.00 175.26 173.82 2bs1 s TRP 32 N -0.78 1.00 0.05 5.30 0.51 0.58 -0.62 118.94 124.98 2bs1 s TRP 32 Ca 0.12 -0.29 0.02 0.00 -2.12 0.00 0.00 56.10 53.82 2bs1 s TRP 32 Cb -0.10 -0.76 -0.03 0.00 -0.81 0.00 0.00 33.47 31.78 2bs1 s TRP 32 CO 0.02 -0.16 -0.07 0.96 -0.51 0.00 0.00 176.95 177.19 2bs1 s ILE 33 N 0.50 0.49 0.81 2.03 -0.00 -0.39 -0.63 121.20 124.01 2bs1 s ILE 33 Ca -0.08 -1.22 -0.12 0.00 -0.00 0.00 0.00 60.65 59.23 2bs1 s ILE 33 Cb -0.12 -0.76 0.08 0.00 -0.00 0.00 0.00 42.46 41.66 2bs1 s ILE 33 CO 0.01 -0.50 1.12 -0.94 -0.00 0.00 0.00 174.94 174.63 2bs1 s SER 34 N -1.84 4.42 -1.22 4.36 1.04 -0.66 -1.79 113.70 118.01 2bs1 s SER 34 Ca -0.07 1.09 -0.19 0.00 0.48 0.00 0.00 55.95 57.27 2bs1 s SER 34 Cb -0.07 -1.76 0.07 0.00 0.10 0.00 0.00 66.02 64.37 2bs1 s SER 34 CO -0.01 -1.99 1.63 -0.55 0.98 0.00 0.00 173.24 173.31 2bs1 s SER 35 N -4.14 6.77 0.12 7.02 0.15 -1.26 -4.71 113.70 117.66 2bs1 s SER 35 Ca 0.61 -2.25 -0.00 0.00 0.70 0.00 0.00 55.95 55.01 2bs1 s SER 35 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2bs1 s SER 35 CO 0.53 -1.21 0.16 0.59 1.20 0.00 0.00 173.24 174.50 2bs1 n ASN 36 N 8.26 -0.44 -4.77 5.45 4.13 -1.26 -5.06 115.26 121.57 2bs1 n ASN 36 Ca 0.44 -1.69 -0.39 0.00 1.68 0.00 0.00 54.58 54.63 2bs1 n ASN 36 Cb 0.47 0.85 -0.02 0.00 -1.54 0.00 0.00 39.78 39.53 2bs1 n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2bs1 s SER 37 N -1.77 6.65 0.61 6.41 1.04 -1.26 -4.79 113.70 120.59 2bs1 s SER 37 Ca 0.11 2.34 0.28 0.00 0.48 0.00 0.00 55.95 59.16 2bs1 s SER 37 Cb -0.00 -2.62 1.36 0.00 0.10 0.00 0.00 66.02 64.86 2bs1 s SER 37 CO 0.08 -0.59 1.77 -0.09 0.98 0.00 0.00 173.24 175.39 2bs1 h ARG 38 N 2.83 0.00 0.00 4.02 9.65 -1.97 0.23 114.38 129.14 2bs1 h ARG 38 Ca -0.48 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2bs1 h ARG 38 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2bs1 h ARG 38 CO 0.63 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.06 2bs1 h SER 39 N 0.00 0.00 -0.03 -3.80 4.64 -1.88 -3.31 113.55 109.17 2bs1 h SER 39 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2bs1 h SER 39 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2bs1 h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2bs1 n GLN 40 N -3.03 0.61 -2.55 4.77 6.02 0.71 -3.85 117.38 120.07 2bs1 n GLN 40 Ca 0.04 -0.98 -0.35 0.00 -0.01 0.00 0.00 57.00 55.70 2bs1 n GLN 40 Cb 0.50 -1.05 -0.04 0.00 1.02 0.00 0.00 30.24 30.68 2bs1 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bs1 s ALA 41 N -0.47 2.93 0.30 -1.58 0.00 -0.68 -4.82 121.76 117.44 2bs1 s ALA 41 Ca 0.03 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.36 2bs1 s ALA 41 Cb 0.02 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 2bs1 s ALA 41 CO 0.03 -0.28 0.94 0.71 0.00 0.00 0.00 175.76 177.15 2bs1 s TYR 42 N -1.89 3.75 0.02 0.00 1.51 -1.26 -4.68 117.35 114.80 2bs1 s TYR 42 Ca 0.65 1.80 0.02 0.00 -1.01 0.00 0.00 57.07 58.53 2bs1 s TYR 42 Cb -0.18 -2.93 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 2bs1 s TYR 42 CO 0.22 0.26 -0.07 0.21 -1.11 0.00 0.00 175.55 175.06 2bs1 s LYS 43 N -1.88 0.54 -0.03 -0.62 2.20 -0.94 -1.65 119.74 117.37 2bs1 s LYS 43 Ca 0.48 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2bs1 s LYS 43 Cb -0.20 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 35.69 2bs1 s LYS 43 CO 0.25 0.11 -0.01 0.08 -0.36 0.00 0.00 175.35 175.42 2bs1 s VAL 44 N -0.68 0.23 0.03 4.02 1.01 0.19 -0.20 120.40 125.00 2bs1 s VAL 44 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2bs1 s VAL 44 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2bs1 s VAL 44 CO 0.00 0.14 -0.11 0.42 0.00 0.00 0.00 175.10 175.55 2bs1 s THR 45 N 0.79 0.85 -0.01 3.92 -4.23 -0.26 -0.30 115.64 116.40 2bs1 s THR 45 Ca -0.08 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.48 2bs1 s THR 45 Cb -0.11 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2bs1 s THR 45 CO -0.01 -0.08 0.11 0.00 -0.54 0.00 0.00 174.62 174.10 2bs1 s SER 47 N -0.97 -0.64 -0.01 0.00 1.04 -0.91 -1.17 113.70 111.04 2bs1 s SER 47 Ca -0.11 0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.98 2bs1 s SER 47 Cb -0.06 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2bs1 s SER 47 CO 0.01 -0.65 -0.17 -0.69 0.98 0.00 0.00 173.24 172.72 2bs1 s VAL 48 N -1.55 1.31 0.03 5.02 1.01 -1.26 -1.09 120.40 123.86 2bs1 s VAL 48 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2bs1 s VAL 48 Cb -0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2bs1 s VAL 48 CO 0.07 0.36 -0.04 -0.60 0.00 0.00 0.00 175.10 174.89 2bs1 s ARG 49 N -0.41 0.38 -1.37 2.72 3.52 -0.37 -4.97 118.95 118.46 2bs1 s ARG 49 Ca 0.06 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.88 2bs1 s ARG 49 Cb -0.06 0.04 0.09 0.00 -1.56 0.00 0.00 34.95 33.46 2bs1 s ARG 49 CO -0.01 -0.04 2.33 0.94 -0.81 0.00 0.00 175.30 177.72 2bs1 n GLN 50 N 1.42 4.10 -0.26 5.12 -0.06 -1.26 0.62 117.38 127.04 2bs1 n GLN 50 Ca -0.23 -3.23 0.18 0.00 -2.00 0.00 0.00 57.00 51.73 2bs1 n GLN 50 Cb 0.56 -2.78 0.35 0.00 -4.06 0.00 0.00 30.24 24.31 2bs1 n GLN 50 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2bs1 n SER 51 N 2.84 0.09 -2.26 1.69 3.41 -1.05 -4.62 113.62 113.72 2bs1 n SER 51 Ca 0.58 1.33 -0.06 0.00 -0.26 0.00 0.00 58.87 60.46 2bs1 n SER 51 Cb 0.28 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 2bs1 n SER 51 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2bs1 n SER 52 N -4.95 1.59 0.15 4.04 2.88 -1.09 -4.97 113.62 111.26 2bs1 n SER 52 Ca 0.24 -1.48 0.04 0.00 -1.33 0.00 0.00 58.87 56.33 2bs1 n SER 52 Cb 0.81 0.16 0.11 0.00 -0.75 0.00 0.00 64.21 64.54 2bs1 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bs1 h ALA 53 N 1.11 0.75 0.00 -1.46 0.00 -2.03 -3.31 119.26 114.31 2bs1 h ALA 53 Ca -0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2bs1 h ALA 53 Cb 0.27 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 2bs1 h ALA 53 CO 0.13 0.58 -0.55 1.04 0.00 0.00 0.00 179.25 180.44 2bs1 n GLN 54 N -3.29 0.87 -3.92 0.00 6.02 -1.26 -5.02 117.38 110.79 2bs1 n GLN 54 Ca 0.01 -2.48 -0.10 0.00 -0.01 0.00 0.00 57.00 54.42 2bs1 n GLN 54 Cb 0.67 -0.99 -0.10 0.00 1.02 0.00 0.00 30.24 30.84 2bs1 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bs1 s ASN 55 N -2.51 0.12 0.01 1.08 0.02 -1.25 -2.56 114.94 109.84 2bs1 s ASN 55 Ca 0.30 -0.33 0.06 0.00 -1.02 0.00 0.00 52.86 51.87 2bs1 s ASN 55 Cb 0.31 0.16 -0.02 0.00 0.02 0.00 0.00 41.25 41.72 2bs1 s ASN 55 CO -0.07 -0.35 -0.19 -0.13 0.02 0.00 0.00 177.10 176.39 2bs1 s ARG 56 N -1.45 1.41 -0.08 -0.60 0.52 -0.55 -2.53 118.95 115.68 2bs1 s ARG 56 Ca -0.15 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 2bs1 s ARG 56 Cb -0.08 -1.42 0.02 0.00 0.52 0.00 0.00 34.95 33.98 2bs1 s ARG 56 CO 0.00 0.38 -0.09 0.21 0.02 0.00 0.00 175.30 175.82 2bs1 s LYS 57 N -0.74 1.47 -0.11 3.54 2.20 0.20 -1.11 119.74 125.18 2bs1 s LYS 57 Ca 0.07 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 2bs1 s LYS 57 Cb -0.08 -1.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.85 2bs1 s LYS 57 CO 0.00 -0.09 0.19 0.71 -0.36 0.00 0.00 175.35 175.81 2bs1 s TYR 58 N 1.05 3.59 -0.21 4.03 1.51 0.83 -1.24 117.35 126.91 2bs1 s TYR 58 Ca -0.08 0.59 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 2bs1 s TYR 58 Cb -0.15 -2.05 0.05 0.00 -0.11 0.00 0.00 41.96 39.70 2bs1 s TYR 58 CO -0.01 0.64 -0.11 0.99 -1.11 0.00 0.00 175.55 175.96 2bs1 s THR 59 N -0.78 1.77 -0.02 -0.71 2.01 -0.25 -0.74 115.64 116.90 2bs1 s THR 59 Ca 0.16 -1.15 0.08 0.00 0.31 0.00 0.00 61.69 61.09 2bs1 s THR 59 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2bs1 s THR 59 CO 0.05 0.13 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.23 2bs1 s ILE 60 N 1.33 2.16 0.00 1.82 1.01 -0.19 -2.13 121.20 125.20 2bs1 s ILE 60 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.56 2bs1 s ILE 60 Cb -0.17 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 2bs1 s ILE 60 CO -0.08 0.58 -0.02 -0.54 0.00 0.00 0.00 174.94 174.88 2bs1 s LYS 61 N -0.63 0.15 -0.01 2.79 1.02 -0.41 -0.53 119.74 122.12 2bs1 s LYS 61 Ca 0.10 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.04 2bs1 s LYS 61 Cb -0.10 -0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2bs1 s LYS 61 CO -0.01 0.03 -0.11 0.08 -0.92 0.00 0.00 175.35 174.43 2bs1 s VAL 62 N -0.11 0.85 -0.23 3.17 1.01 -0.27 -1.10 120.40 123.72 2bs1 s VAL 62 Ca -0.00 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2bs1 s VAL 62 Cb -0.01 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.71 2bs1 s VAL 62 CO -0.00 0.24 -0.08 -1.61 0.00 0.00 0.00 175.10 173.65 2bs1 s GLU 63 N -0.22 1.87 -0.30 2.72 2.02 0.72 -1.24 118.70 124.27 2bs1 s GLU 63 Ca 0.04 -1.06 -0.10 0.00 0.02 0.00 0.00 54.97 53.86 2bs1 s GLU 63 Cb -0.05 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2bs1 s GLU 63 CO -0.00 -0.56 0.16 0.08 0.02 0.00 0.00 175.26 174.96 2bs1 s VAL 64 N 1.31 4.81 0.32 2.63 1.01 -0.59 -2.20 120.40 127.69 2bs1 s VAL 64 Ca -0.06 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2bs1 s VAL 64 Cb -0.19 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2bs1 s VAL 64 CO -0.06 0.12 0.51 -2.16 0.00 0.00 0.00 175.10 173.50 2bs1 s PRO 65 N 1.66 3.48 -0.52 2.72 0.04 -1.26 -0.52 135.00 140.60 2bs1 s PRO 65 Ca 0.06 -0.39 -0.02 0.00 0.04 0.00 0.00 61.00 60.68 2bs1 s PRO 65 Cb -0.17 -2.71 0.14 0.00 0.04 0.00 0.00 34.50 31.80 2bs1 s PRO 65 CO 0.07 0.22 0.32 0.21 0.04 0.00 0.00 177.00 177.86 2bs1 s LYS 66 N -4.17 2.24 0.67 4.56 2.47 -0.47 -4.98 119.74 120.07 2bs1 s LYS 66 Ca 0.39 -2.26 -0.17 0.00 -1.56 0.00 0.00 55.97 52.37 2bs1 s LYS 66 Cb -0.10 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 2bs1 s LYS 66 CO 0.34 -1.12 1.24 0.14 0.16 0.00 0.00 175.35 176.11 2bs1 s VAL 67 N 0.39 2.28 0.14 4.02 -7.23 -1.26 0.87 120.40 119.60 2bs1 s VAL 67 Ca 0.14 0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 60.21 2bs1 s VAL 67 Cb -0.22 -2.92 0.07 0.00 0.56 0.00 0.00 36.38 33.86 2bs1 s VAL 67 CO -0.04 -0.05 0.89 0.00 -0.31 0.00 0.00 175.10 175.59 2bs1 s ALA 68 N -1.68 -1.62 -0.27 1.32 0.00 0.30 -4.57 121.76 115.23 2bs1 s ALA 68 Ca 0.78 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 2bs1 s ALA 68 Cb -0.33 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.48 2bs1 s ALA 68 CO 0.40 -0.95 -0.05 0.99 0.00 0.00 0.00 175.76 176.15 2bs1 s THR 69 N -3.37 2.75 -0.06 0.00 2.01 -1.26 -1.12 115.64 114.58 2bs1 s THR 69 Ca 0.10 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.75 2bs1 s THR 69 Cb -0.02 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2bs1 s THR 69 CO -0.00 0.02 0.09 -1.58 -0.69 0.00 0.00 174.62 172.45 2bs1 s GLN 70 N 1.24 3.19 -0.46 4.92 0.74 -0.73 -4.89 119.66 123.67 2bs1 s GLN 70 Ca -0.04 -0.35 -0.15 0.00 0.05 0.00 0.00 55.36 54.87 2bs1 s GLN 70 Cb -0.19 -2.96 0.07 0.00 1.10 0.00 0.00 33.01 31.03 2bs1 s GLN 70 CO -0.03 0.70 0.37 0.99 -0.55 0.00 0.00 175.29 176.77 2bs1 s THR 71 N -1.09 5.15 -0.20 -0.34 2.01 -1.26 -0.45 115.64 119.47 2bs1 s THR 71 Ca 0.19 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 2bs1 s THR 71 Cb -0.12 -4.05 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 2bs1 s THR 71 CO 0.09 -0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.70 2bs1 s VAL 72 N 1.63 3.00 -1.42 3.82 1.01 0.91 -4.60 120.40 124.75 2bs1 s VAL 72 Ca 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2bs1 s VAL 72 Cb -0.24 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2bs1 s VAL 72 CO 0.07 0.47 0.31 0.61 0.00 0.00 0.00 175.10 176.56 2bs1 n GLY 73 N 4.54 -0.36 3.04 4.51 0.00 -1.26 -1.87 105.19 113.79 2bs1 n GLY 73 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2bs1 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs1 n GLY 74 N -1.26 1.22 3.51 -0.02 0.00 -1.26 -5.01 105.19 102.37 2bs1 n GLY 74 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2bs1 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs1 s VAL 75 N -3.76 3.12 -0.09 1.61 1.01 -0.78 -5.09 120.40 116.41 2bs1 s VAL 75 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 2bs1 s VAL 75 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2bs1 s VAL 75 CO 0.00 0.35 0.33 -1.61 0.00 0.00 0.00 175.10 174.18 2bs1 s GLU 76 N -1.45 4.01 0.04 2.72 2.02 -1.26 -0.07 118.70 124.72 2bs1 s GLU 76 Ca 0.16 0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.41 2bs1 s GLU 76 Cb -0.11 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 2bs1 s GLU 76 CO 0.06 0.48 -0.13 -0.51 0.02 0.00 0.00 175.26 175.19 2bs1 s LEU 77 N -0.33 2.19 -0.15 1.80 1.43 0.41 -4.98 118.68 119.05 2bs1 s LEU 77 Ca 0.20 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2bs1 s LEU 77 Cb -0.14 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 2bs1 s LEU 77 CO 0.08 -0.01 1.21 -2.16 0.23 0.00 0.00 176.35 175.70 2bs1 s PRO 78 N -1.24 4.27 0.28 1.29 0.04 -1.26 -1.77 135.00 136.60 2bs1 s PRO 78 Ca -0.00 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 2bs1 s PRO 78 Cb -0.08 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 2bs1 s PRO 78 CO 0.01 -0.63 0.30 0.54 0.04 0.00 0.00 177.00 177.27 2bs1 s VAL 79 N 3.14 0.00 -0.24 -0.36 0.11 -0.28 -4.73 120.40 118.04 2bs1 s VAL 79 Ca 0.53 -1.83 -0.05 0.00 -2.93 0.00 0.00 61.98 57.70 2bs1 s VAL 79 Cb -0.21 -2.50 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 2bs1 s VAL 79 CO 0.15 0.00 -0.01 0.00 -3.33 0.00 0.00 175.10 171.91 2bs1 s ALA 80 N -3.64 2.91 0.34 1.54 0.00 -1.25 -0.54 121.76 121.12 2bs1 s ALA 80 Ca 0.35 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2bs1 s ALA 80 Cb 0.03 -1.84 0.76 0.00 0.00 0.00 0.00 23.12 22.07 2bs1 s ALA 80 CO 0.19 -0.51 1.87 0.00 0.00 0.00 0.00 175.76 177.30 2bs1 h ALA 81 N 8.15 1.76 -1.85 0.00 0.00 0.23 -3.45 119.26 124.10 2bs1 h ALA 81 Ca -0.39 0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.76 2bs1 h ALA 81 Cb 1.16 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2bs1 h ALA 81 CO 0.60 0.00 0.67 1.67 0.00 0.00 0.00 179.25 182.19 2bs1 s TRP 82 N -5.73 -0.14 0.07 0.00 1.48 -1.24 -5.02 118.94 108.36 2bs1 s TRP 82 Ca -0.10 -0.02 0.06 0.00 -1.06 0.00 0.00 56.10 54.98 2bs1 s TRP 82 Cb 0.22 0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 33.06 2bs1 s TRP 82 CO 0.79 -0.47 -0.16 1.03 -4.06 0.00 0.00 176.95 174.09 2bs1 s ARG 83 N -2.79 0.92 -0.08 3.25 0.52 -1.26 -1.37 118.95 118.14 2bs1 s ARG 83 Ca 0.11 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 2bs1 s ARG 83 Cb 0.01 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 2bs1 s ARG 83 CO -0.03 0.23 -0.01 0.45 0.02 0.00 0.00 175.30 175.95 2bs1 s SER 84 N -1.68 5.11 -0.09 0.23 0.15 0.32 -4.97 113.70 112.77 2bs1 s SER 84 Ca 0.01 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.80 2bs1 s SER 84 Cb -0.10 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2bs1 s SER 84 CO 0.03 0.37 -0.20 -0.31 1.20 0.00 0.00 173.24 174.33 2bs1 s TYR 85 N -0.87 2.19 -0.18 3.44 2.02 -1.26 -1.54 117.35 121.15 2bs1 s TYR 85 Ca 0.13 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 55.93 2bs1 s TYR 85 Cb -0.11 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2bs1 s TYR 85 CO 0.02 -0.38 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.34 2bs1 s LEU 86 N 0.48 2.68 -0.12 -1.29 2.96 -0.37 -4.99 118.68 118.03 2bs1 s LEU 86 Ca -0.17 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 2bs1 s LEU 86 Cb -0.17 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.91 2bs1 s LEU 86 CO 0.07 0.05 -0.05 0.00 -1.32 0.00 0.00 176.35 175.10 2bs1 s ALA 87 N 1.04 1.20 -0.02 5.97 0.00 -1.26 -1.11 121.76 127.58 2bs1 s ALA 87 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2bs1 s ALA 87 Cb -0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2bs1 s ALA 87 CO -0.02 -0.52 -0.18 0.00 0.00 0.00 0.00 175.76 175.05 2bs1 s MET 88 N 1.76 1.56 -0.16 0.00 0.23 0.31 -5.01 119.30 118.00 2bs1 s MET 88 Ca 0.04 -0.62 -0.01 0.00 -1.03 0.00 0.00 55.69 54.06 2bs1 s MET 88 Cb -0.13 -1.45 -0.01 0.00 -1.53 0.00 0.00 34.83 31.71 2bs1 s MET 88 CO -0.07 0.33 -0.10 0.15 -2.03 0.00 0.00 175.02 173.29 2bs1 s LYS 89 N -0.25 3.40 -0.19 3.16 -0.14 -1.26 -1.03 119.74 123.43 2bs1 s LYS 89 Ca 0.03 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 53.99 2bs1 s LYS 89 Cb -0.09 -2.75 0.03 0.00 -1.68 0.00 0.00 37.83 33.35 2bs1 s LYS 89 CO 0.00 0.10 -0.14 -1.17 -0.76 0.00 0.00 175.35 173.38 2bs1 s LEU 90 N 0.67 2.30 -0.30 3.17 2.96 0.08 -4.96 118.68 122.60 2bs1 s LEU 90 Ca -0.05 -0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2bs1 s LEU 90 Cb -0.15 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.19 2bs1 s LEU 90 CO 0.02 -0.09 0.09 -0.89 -1.32 0.00 0.00 176.35 174.17 2bs1 s THR 91 N 1.33 4.11 -0.09 3.68 2.01 -1.26 -0.12 115.64 125.30 2bs1 s THR 91 Ca 0.01 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.42 2bs1 s THR 91 Cb -0.15 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2bs1 s THR 91 CO -0.10 0.09 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.10 2bs1 s ILE 92 N 1.53 2.55 0.44 1.82 1.01 -0.27 -4.97 121.20 123.30 2bs1 s ILE 92 Ca 0.03 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 2bs1 s ILE 92 Cb -0.17 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 2bs1 s ILE 92 CO 0.03 0.56 1.14 -2.16 0.00 0.00 0.00 174.94 174.51 2bs1 s PRO 93 N -0.02 3.90 0.31 2.79 0.04 -1.26 -1.48 135.00 139.28 2bs1 s PRO 93 Ca -0.06 1.73 0.22 0.00 0.04 0.00 0.00 61.00 62.93 2bs1 s PRO 93 Cb -0.15 -2.49 1.15 0.00 0.04 0.00 0.00 34.50 33.06 2bs1 s PRO 93 CO 0.05 -0.42 1.68 0.44 0.04 0.00 0.00 177.00 178.78 2bs1 n ILE 94 N -0.29 1.00 1.57 0.56 -5.35 -1.06 -1.01 119.36 114.78 2bs1 n ILE 94 Ca 0.06 0.65 0.15 0.00 -0.27 0.00 0.00 62.75 63.34 2bs1 n ILE 94 Cb 0.48 -1.64 0.70 0.00 -1.74 0.00 0.00 39.64 37.44 2bs1 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bs1 n PHE 95 N -2.26 0.00 -2.25 4.28 3.72 -1.26 -4.85 117.46 114.84 2bs1 n PHE 95 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2bs1 n PHE 95 Cb 0.07 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 2bs1 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bs1 s ALA 96 N -2.30 3.58 0.87 4.37 0.00 -0.18 -5.02 121.76 123.08 2bs1 s ALA 96 Ca 0.35 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 2bs1 s ALA 96 Cb 0.21 -3.59 0.11 0.00 0.00 0.00 0.00 23.12 19.85 2bs1 s ALA 96 CO 0.43 -0.93 1.12 0.99 0.00 0.00 0.00 175.76 177.37 2bs1 s THR 97 N 2.50 2.43 0.17 0.00 2.01 -1.26 -4.86 115.64 116.62 2bs1 s THR 97 Ca 0.63 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 2bs1 s THR 97 Cb -0.30 -2.87 0.07 0.00 0.01 0.00 0.00 72.50 69.41 2bs1 s THR 97 CO 0.25 -0.18 1.71 0.78 -0.69 0.00 0.00 174.62 176.50 2bs1 h ASN 98 N -1.36 0.84 0.17 3.53 2.35 -1.99 -1.61 115.58 117.51 2bs1 h ASN 98 Ca -0.49 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.02 2bs1 h ASN 98 Cb 1.31 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 2bs1 h ASN 98 CO 0.61 0.80 -0.19 0.77 -1.65 0.00 0.00 177.43 177.77 2bs1 h SER 99 N 0.82 0.05 -0.54 5.81 4.64 -1.99 -0.55 113.55 121.79 2bs1 h SER 99 Ca 0.19 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 2bs1 h SER 99 Cb 0.25 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2bs1 h SER 99 CO -0.01 0.25 -0.06 0.44 -0.87 0.00 0.00 176.83 176.58 2bs1 h ASP 100 N 0.05 1.00 0.19 4.97 3.32 -1.69 -2.52 116.42 121.74 2bs1 h ASP 100 Ca 0.01 -0.30 -0.18 0.00 0.02 0.00 0.00 57.03 56.57 2bs1 h ASP 100 Cb 0.37 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2bs1 h ASP 100 CO 0.03 1.08 -0.71 0.00 -1.72 0.00 0.00 179.24 177.91 2bs1 h GLU 102 N 0.32 0.00 -0.41 0.00 5.08 -0.98 -0.58 114.58 118.01 2bs1 h GLU 102 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2bs1 h GLU 102 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2bs1 h GLU 102 CO 0.13 0.03 -0.31 1.25 -1.00 0.00 0.00 179.01 179.11 2bs1 h LEU 103 N 0.00 0.96 -0.43 1.33 5.85 -1.13 -1.68 115.31 120.22 2bs1 h LEU 103 Ca -0.00 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 2bs1 h LEU 103 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2bs1 h LEU 103 CO 0.00 1.19 -0.08 0.40 -0.34 0.00 0.00 178.44 179.62 2bs1 h ILE 104 N 0.77 1.27 -0.54 4.05 2.04 -0.96 -1.95 117.51 122.20 2bs1 h ILE 104 Ca 0.08 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2bs1 h ILE 104 Cb 0.89 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2bs1 h ILE 104 CO 0.08 0.40 0.20 0.58 0.00 0.00 0.00 178.15 179.40 2bs1 h VAL 105 N 0.64 1.23 -0.83 1.67 2.07 -1.20 -1.95 116.25 117.87 2bs1 h VAL 105 Ca 0.11 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2bs1 h VAL 105 Cb 0.60 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2bs1 h VAL 105 CO 0.04 0.27 0.46 0.11 0.02 0.00 0.00 177.57 178.47 2bs1 h LYS 106 N 0.73 1.15 -0.55 1.57 1.57 -1.21 -1.00 116.57 118.82 2bs1 h LYS 106 Ca 0.18 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2bs1 h LYS 106 Cb 0.23 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2bs1 h LYS 106 CO -0.01 0.83 0.23 0.00 -0.57 0.00 0.00 179.45 179.93 2bs1 h ALA 107 N 1.35 0.72 -0.34 3.86 0.00 -0.95 0.14 119.26 124.03 2bs1 h ALA 107 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2bs1 h ALA 107 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2bs1 h ALA 107 CO -0.05 0.32 -0.20 0.52 0.00 0.00 0.00 179.25 179.84 2bs1 h MET 108 N 0.75 0.65 -0.32 0.00 2.86 -0.96 0.48 114.93 118.39 2bs1 h MET 108 Ca 0.19 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2bs1 h MET 108 Cb 0.18 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2bs1 h MET 108 CO -0.02 0.81 -0.07 1.96 1.06 0.00 0.00 176.91 180.65 2bs1 h GLN 109 N 0.58 0.62 -0.65 1.72 4.20 -0.83 -2.83 115.11 117.92 2bs1 h GLN 109 Ca 0.09 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 2bs1 h GLN 109 Cb 0.67 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 2bs1 h GLN 109 CO 0.05 0.80 0.25 0.78 -0.67 0.00 0.00 178.83 180.03 2bs1 h GLY 110 N 0.40 1.03 0.71 3.46 0.00 -0.45 -2.22 103.07 106.00 2bs1 h GLY 110 Ca 0.08 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 46.93 2bs1 h GLY 110 CO 0.03 0.52 0.50 -2.00 0.00 0.00 0.00 176.54 175.59 2bs1 h LEU 111 N 0.94 0.78 -2.26 3.11 5.85 -0.71 -2.93 115.31 120.10 2bs1 h LEU 111 Ca 0.22 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2bs1 h LEU 111 Cb 0.20 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2bs1 h LEU 111 CO -0.02 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 2bs1 n LEU 112 N -4.66 3.35 -4.75 2.25 4.77 -1.06 -4.37 117.00 112.53 2bs1 n LEU 112 Ca 0.11 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.17 2bs1 n LEU 112 Cb 0.18 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2bs1 n LEU 112 CO 0.31 0.75 1.15 -0.75 -1.33 0.00 0.00 177.39 177.52 2bs1 s LYS 113 N -1.41 4.22 0.27 3.23 2.20 -0.86 -4.79 119.74 122.59 2bs1 s LYS 113 Ca 0.40 2.39 -0.29 0.00 -0.36 0.00 0.00 55.97 58.11 2bs1 s LYS 113 Cb 0.23 -3.08 -0.14 0.00 -1.51 0.00 0.00 37.83 33.32 2bs1 s LYS 113 CO 0.31 -0.49 1.09 -0.25 -0.36 0.00 0.00 175.35 175.65 2bs1 n ASP 114 N 2.26 1.54 0.00 1.43 8.00 -1.26 -1.86 116.55 126.65 2bs1 n ASP 114 Ca 0.07 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2bs1 n ASP 114 Cb 0.39 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2bs1 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs1 n GLY 115 N 1.40 2.98 3.80 0.44 0.00 -1.26 -5.05 105.19 107.50 2bs1 n GLY 115 Ca 0.10 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2bs1 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bs1 s ASN 116 N 0.94 5.59 0.04 1.61 0.01 -0.78 -4.88 114.94 117.46 2bs1 s ASN 116 Ca 0.00 1.78 -0.07 0.00 -0.71 0.00 0.00 52.86 53.86 2bs1 s ASN 116 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 2bs1 s ASN 116 CO 0.00 -1.30 1.02 -2.65 -1.51 0.00 0.00 177.10 172.66 2bs1 n PRO 117 N -2.38 -0.10 0.25 -0.60 -0.02 -1.26 -2.34 135.00 128.54 2bs1 n PRO 117 Ca 0.09 1.01 -0.17 0.00 -2.02 0.00 0.00 63.50 62.41 2bs1 n PRO 117 Cb 0.53 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.41 2bs1 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bs1 h ILE 118 N 0.00 0.14 -0.23 4.25 2.04 -1.94 -0.96 117.51 120.81 2bs1 h ILE 118 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 2bs1 h ILE 118 Cb 0.10 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2bs1 h ILE 118 CO -0.22 0.00 0.16 1.55 0.00 0.00 0.00 178.15 179.64 2bs1 h PRO 119 N -0.85 0.04 -0.19 2.37 0.13 -1.76 -0.91 132.00 130.83 2bs1 h PRO 119 Ca -0.04 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2bs1 h PRO 119 Cb 0.76 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2bs1 h PRO 119 CO -0.08 0.03 -0.00 0.77 -0.23 0.00 0.00 178.00 178.49 2bs1 h SER 120 N 0.04 0.33 -0.15 1.44 0.02 -1.04 -1.61 113.55 112.57 2bs1 h SER 120 Ca 0.11 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2bs1 h SER 120 Cb 0.37 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2bs1 h SER 120 CO -0.01 0.56 0.07 0.00 -1.14 0.00 0.00 176.83 176.32 2bs1 h ALA 121 N 0.78 0.20 -0.12 3.77 0.00 -0.31 -2.80 119.26 120.77 2bs1 h ALA 121 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2bs1 h ALA 121 Cb 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2bs1 h ALA 121 CO 0.01 -0.24 -0.10 0.82 0.00 0.00 0.00 179.25 179.74 2bs1 h ILE 122 N 0.12 0.70 0.00 0.00 2.04 -1.18 -0.76 117.51 118.42 2bs1 h ILE 122 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2bs1 h ILE 122 Cb 0.13 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2bs1 h ILE 122 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 2bs1 n ALA 123 N -2.46 1.20 -0.58 1.87 0.00 -0.61 -1.99 120.51 117.94 2bs1 n ALA 123 Ca -0.03 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2bs1 n ALA 123 Cb 0.17 -1.16 0.12 0.00 0.00 0.00 0.00 19.45 18.58 2bs1 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bs1 n ALA 124 N -1.60 2.29 -3.70 0.00 0.00 -0.71 -4.98 120.51 111.81 2bs1 n ALA 124 Ca 0.01 -1.83 -0.23 0.00 0.00 0.00 0.00 53.44 51.38 2bs1 n ALA 124 Cb 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.22 2bs1 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bs1 n ASN 125 N -0.68 -2.33 -4.17 0.00 3.02 -0.84 -4.98 115.26 105.28 2bs1 n ASN 125 Ca 0.11 -0.88 -0.11 0.00 -0.03 0.00 0.00 54.58 53.67 2bs1 n ASN 125 Cb 0.53 -3.86 -0.10 0.00 -0.61 0.00 0.00 39.78 35.74 2bs1 n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2bs1 s SER 126 N -4.10 0.22 0.42 6.41 0.15 -0.37 -5.05 113.70 111.38 2bs1 s SER 126 Ca 0.14 -1.28 0.06 0.00 0.70 0.00 0.00 55.95 55.57 2bs1 s SER 126 Cb -0.04 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 2bs1 s SER 126 CO 0.83 -0.79 0.53 0.61 1.20 0.00 0.00 173.24 175.62 2bs1 n GLY 127 N -0.18 2.13 3.67 9.45 0.00 -1.26 -4.24 105.19 114.77 2bs1 n GLY 127 Ca -0.02 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 2bs1 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs1 s ILE 128 N -1.72 5.22 0.00 -0.61 1.09 -1.26 -4.85 121.20 119.08 2bs1 s ILE 128 Ca 0.40 0.64 0.00 0.00 -1.10 0.00 0.00 60.65 60.59 2bs1 s ILE 128 Cb -0.03 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2bs1 s ILE 128 CO 0.25 0.27 0.00 0.00 -0.10 0.00 0.00 174.94 175.37