#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 -0.40 0.00 2.88 -1.26 -5.09 113.62 109.75 2bs1 n SER 2 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2bs1 n SER 2 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.52 -4.14 -3.46 2.04 -1.26 -4.75 115.26 105.21 2bs1 n ASN 3 Ca 0.00 -1.23 -0.40 0.00 -0.44 0.00 0.00 54.58 52.51 2bs1 n ASN 3 Cb 0.00 0.21 -0.03 0.00 -2.53 0.00 0.00 39.78 37.43 2bs1 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2bs1 n PHE 4 N -0.21 3.34 -4.36 -2.53 7.35 -1.26 -4.86 117.46 114.92 2bs1 n PHE 4 Ca 0.12 -2.36 -0.18 0.00 -0.76 0.00 0.00 57.45 54.27 2bs1 n PHE 4 Cb 0.40 -2.41 -0.10 0.00 0.35 0.00 0.00 39.48 37.72 2bs1 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bs1 s THR 5 N 5.58 1.17 0.53 -2.13 -4.23 -1.26 -4.86 115.64 110.44 2bs1 s THR 5 Ca 0.56 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.81 2bs1 s THR 5 Cb 0.08 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 2bs1 s THR 5 CO 0.05 -0.28 1.23 -1.58 -0.54 0.00 0.00 174.62 173.51 2bs1 s GLN 6 N -3.84 3.31 0.21 3.99 0.74 -1.26 -4.70 119.66 118.12 2bs1 s GLN 6 Ca 0.30 1.91 -0.17 0.00 0.05 0.00 0.00 55.36 57.45 2bs1 s GLN 6 Cb 0.06 -2.19 0.02 0.00 1.10 0.00 0.00 33.01 31.99 2bs1 s GLN 6 CO 0.10 -0.95 0.53 -0.59 -0.55 0.00 0.00 175.29 173.82 2bs1 s PHE 7 N -1.50 -0.02 -0.38 1.67 -0.71 -0.49 -5.00 117.98 111.55 2bs1 s PHE 7 Ca 0.71 -0.34 -0.24 0.00 -1.04 0.00 0.00 56.93 56.01 2bs1 s PHE 7 Cb -0.32 0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.87 2bs1 s PHE 7 CO 0.37 -0.96 0.84 0.08 -1.34 0.00 0.00 175.22 174.22 2bs1 s VAL 8 N -3.91 4.66 -0.15 -2.49 1.01 -1.26 -1.11 120.40 117.15 2bs1 s VAL 8 Ca 0.12 0.96 -0.21 0.00 0.00 0.00 0.00 61.98 62.85 2bs1 s VAL 8 Cb -0.01 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.91 2bs1 s VAL 8 CO 0.00 -0.51 0.40 0.25 0.00 0.00 0.00 175.10 175.24 2bs1 h LEU 9 N 9.93 0.00 -8.15 3.92 5.85 -1.45 -3.44 115.31 121.97 2bs1 h LEU 9 Ca -0.24 -0.61 -0.69 0.00 0.84 0.00 0.00 57.88 57.18 2bs1 h LEU 9 Cb 1.09 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.82 2bs1 h LEU 9 CO 0.95 1.05 -0.65 -0.69 -0.34 0.00 0.00 178.44 178.76 2bs1 s VAL 10 N -2.16 3.47 -0.28 1.05 1.01 -1.01 -4.98 120.40 117.49 2bs1 s VAL 10 Ca -0.19 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 2bs1 s VAL 10 Cb 0.01 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2bs1 s VAL 10 CO 0.51 -0.12 0.35 -0.62 0.00 0.00 0.00 175.10 175.22 2bs1 s ASP 11 N 1.35 6.22 -0.24 3.32 2.15 -1.26 -0.26 116.67 127.95 2bs1 s ASP 11 Ca -0.03 0.21 0.10 0.00 0.43 0.00 0.00 52.55 53.27 2bs1 s ASP 11 Cb -0.19 -2.20 0.44 0.00 -0.30 0.00 0.00 42.92 40.67 2bs1 s ASP 11 CO 0.01 -0.18 1.20 0.59 -0.17 0.00 0.00 175.17 176.62 2bs1 n ASN 12 N 5.30 3.01 -2.59 -0.34 3.02 -1.26 -4.99 115.26 117.41 2bs1 n ASN 12 Ca -0.09 -3.68 -0.02 0.00 -0.03 0.00 0.00 54.58 50.75 2bs1 n ASN 12 Cb 0.51 -0.44 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 -0.86 -1.06 5.02 7.41 0.00 -1.26 -4.31 105.19 110.13 2bs1 n GLY 13 Ca 0.28 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.08 -0.05 3.62 -0.02 0.00 -1.26 -4.74 105.19 101.65 2bs1 n GLY 14 Ca 0.04 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 2bs1 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bs1 s THR 15 N 0.00 3.92 0.00 2.61 -1.32 -1.26 -3.11 115.64 116.49 2bs1 s THR 15 Ca 0.00 1.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.49 2bs1 s THR 15 Cb 0.00 -4.04 0.00 0.00 -1.51 0.00 0.00 72.50 66.95 2bs1 s THR 15 CO 0.00 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.50 2bs1 n GLY 16 N 4.71 0.84 3.81 6.08 0.00 -1.26 -4.77 105.19 114.60 2bs1 n GLY 16 Ca 0.17 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.25 6.48 -0.30 1.61 1.01 -1.18 -4.54 116.67 117.50 2bs1 s ASP 17 Ca 0.00 1.79 -0.10 0.00 0.71 0.00 0.00 52.55 54.95 2bs1 s ASP 17 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2bs1 s ASP 17 CO 0.00 -0.68 0.16 -0.69 0.21 0.00 0.00 175.17 174.16 2bs1 s VAL 18 N -2.21 4.80 0.03 -1.27 1.01 0.64 -4.99 120.40 118.40 2bs1 s VAL 18 Ca 0.64 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2bs1 s VAL 18 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2bs1 s VAL 18 CO 0.22 0.15 0.11 -0.89 0.00 0.00 0.00 175.10 174.69 2bs1 s THR 19 N 1.66 4.83 -0.03 3.92 2.01 -1.26 -1.09 115.64 125.67 2bs1 s THR 19 Ca 0.06 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.60 2bs1 s THR 19 Cb -0.16 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2bs1 s THR 19 CO 0.07 0.25 -0.13 0.54 -0.69 0.00 0.00 174.62 174.67 2bs1 s VAL 20 N -1.31 1.09 0.11 3.82 0.11 -0.26 -4.30 120.40 119.66 2bs1 s VAL 20 Ca 0.27 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2bs1 s VAL 20 Cb -0.12 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 2bs1 s VAL 20 CO 0.19 0.32 -0.15 0.00 -3.33 0.00 0.00 175.10 172.13 2bs1 s ALA 21 N 0.14 1.44 -0.02 1.54 0.00 -0.87 -1.40 121.76 122.60 2bs1 s ALA 21 Ca -0.04 -1.22 -0.38 0.00 0.00 0.00 0.00 51.96 50.32 2bs1 s ALA 21 Cb -0.10 -0.09 -0.17 0.00 0.00 0.00 0.00 23.12 22.75 2bs1 s ALA 21 CO 0.01 0.14 1.40 -2.30 0.00 0.00 0.00 175.76 175.01 2bs1 n PRO 22 N 0.76 0.99 0.00 0.00 -0.02 -1.26 -1.94 135.00 133.52 2bs1 n PRO 22 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2bs1 n PRO 22 Cb 0.56 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 3.05 0.12 -3.62 2.55 3.41 -0.15 -4.87 113.62 114.11 2bs1 n SER 23 Ca 0.21 -0.55 -0.06 0.00 -0.26 0.00 0.00 58.87 58.20 2bs1 n SER 23 Cb 0.16 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.13 -0.24 -0.01 4.04 3.84 -1.23 -4.98 114.94 116.24 2bs1 s ASN 24 Ca 0.00 0.36 0.05 0.00 0.21 0.00 0.00 52.86 53.48 2bs1 s ASN 24 Cb 0.00 0.33 0.08 0.00 -0.55 0.00 0.00 41.25 41.12 2bs1 s ASN 24 CO 0.00 -0.15 1.04 0.33 -2.79 0.00 0.00 177.10 175.53 2bs1 n PHE 25 N 1.25 0.00 -1.92 0.43 7.35 -1.26 -1.36 117.46 121.96 2bs1 n PHE 25 Ca -0.08 -0.15 -0.41 0.00 -0.76 0.00 0.00 57.45 56.05 2bs1 n PHE 25 Cb 0.57 -0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.31 2bs1 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bs1 s ALA 26 N -0.19 3.67 -1.02 3.13 0.00 -1.26 -2.07 121.76 124.03 2bs1 s ALA 26 Ca 0.07 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2bs1 s ALA 26 Cb 0.08 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2bs1 s ALA 26 CO -0.02 -0.85 0.00 0.09 0.00 0.00 0.00 175.76 174.98 2bs1 n ASN 27 N 2.15 -5.01 0.00 0.00 3.02 -1.26 -2.12 115.26 112.04 2bs1 n ASN 27 Ca 0.07 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2bs1 n ASN 27 Cb 0.39 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 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 -0.67 0.95 3.61 7.41 0.00 -0.88 -4.99 105.19 110.62 2bs1 n GLY 28 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.80 4.89 0.09 1.61 1.01 -0.90 -4.83 120.40 118.47 2bs1 s VAL 29 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 2bs1 s VAL 29 Cb 0.00 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2bs1 s VAL 29 CO 0.00 -0.15 0.98 0.00 0.00 0.00 0.00 175.10 175.94 2bs1 s ALA 30 N 2.72 3.23 0.05 5.51 0.00 -0.75 -3.99 121.76 128.53 2bs1 s ALA 30 Ca 0.28 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.90 2bs1 s ALA 30 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2bs1 s ALA 30 CO 0.11 -0.10 -0.20 -2.00 0.00 0.00 0.00 175.76 173.58 2bs1 s GLU 31 N 0.26 1.28 -0.01 0.00 2.12 -0.47 -1.23 118.70 120.65 2bs1 s GLU 31 Ca 0.49 -0.93 0.01 0.00 0.36 0.00 0.00 54.97 54.90 2bs1 s GLU 31 Cb -0.23 -1.39 0.01 0.00 0.26 0.00 0.00 34.13 32.77 2bs1 s GLU 31 CO 0.30 0.35 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.75 2bs1 s TRP 32 N -0.85 0.44 0.05 5.30 0.51 0.98 -0.98 118.94 124.40 2bs1 s TRP 32 Ca 0.06 -0.08 0.01 0.00 -2.12 0.00 0.00 56.10 53.97 2bs1 s TRP 32 Cb -0.09 -0.35 -0.03 0.00 -0.81 0.00 0.00 33.47 32.20 2bs1 s TRP 32 CO 0.02 -0.05 -0.05 0.96 -0.51 0.00 0.00 176.95 177.31 2bs1 s ILE 33 N 0.23 0.42 0.90 2.03 -4.36 -0.82 -0.49 121.20 119.10 2bs1 s ILE 33 Ca -0.02 -1.41 -0.13 0.00 -0.26 0.00 0.00 60.65 58.83 2bs1 s ILE 33 Cb -0.06 -0.99 0.17 0.00 1.25 0.00 0.00 42.46 42.84 2bs1 s ILE 33 CO -0.00 -0.66 1.25 -0.94 0.24 0.00 0.00 174.94 174.83 2bs1 s SER 34 N -2.19 3.51 -1.14 4.36 1.04 -0.22 -2.06 113.70 116.99 2bs1 s SER 34 Ca -0.02 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.52 2bs1 s SER 34 Cb -0.03 -0.43 0.15 0.00 0.10 0.00 0.00 66.02 65.81 2bs1 s SER 34 CO -0.03 -2.48 1.38 -0.55 0.98 0.00 0.00 173.24 172.54 2bs1 s SER 35 N -4.82 6.92 0.13 7.02 0.15 -1.26 -4.75 113.70 117.10 2bs1 s SER 35 Ca 0.71 -2.66 -0.02 0.00 0.70 0.00 0.00 55.95 54.68 2bs1 s SER 35 Cb -0.05 -2.42 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2bs1 s SER 35 CO 0.51 -0.89 0.21 0.59 1.20 0.00 0.00 173.24 174.86 2bs1 n ASN 36 N 6.20 -0.59 -4.81 5.45 3.02 -1.26 -5.05 115.26 118.23 2bs1 n ASN 36 Ca 0.34 -1.68 -0.34 0.00 -0.03 0.00 0.00 54.58 52.87 2bs1 n ASN 36 Cb 0.45 1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 40.61 2bs1 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bs1 s SER 37 N -1.80 6.89 0.62 6.41 1.04 -1.26 -4.81 113.70 120.79 2bs1 s SER 37 Ca 0.10 1.78 0.41 0.00 0.48 0.00 0.00 55.95 58.72 2bs1 s SER 37 Cb -0.01 -2.55 2.26 0.00 0.10 0.00 0.00 66.02 65.82 2bs1 s SER 37 CO 0.07 -0.40 2.27 0.03 0.98 0.00 0.00 173.24 176.20 2bs1 h ARG 38 N 2.08 0.00 0.00 4.02 3.08 -1.96 0.99 114.38 122.58 2bs1 h ARG 38 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2bs1 h ARG 38 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2bs1 h ARG 38 CO 0.61 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.17 2bs1 h SER 39 N 0.00 0.00 0.00 7.04 4.64 -1.99 -3.30 113.55 119.94 2bs1 h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bs1 h SER 39 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 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 -3.08 0.57 -2.02 4.77 6.02 0.19 -4.99 117.38 118.83 2bs1 n GLN 40 Ca 0.03 -0.89 -0.28 0.00 -0.01 0.00 0.00 57.00 55.86 2bs1 n GLN 40 Cb 0.49 -1.00 0.09 0.00 1.02 0.00 0.00 30.24 30.84 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 -0.39 2.82 -0.14 -1.58 0.00 -0.31 -4.68 121.76 117.48 2bs1 s ALA 41 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 2bs1 s ALA 41 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2bs1 s ALA 41 CO 0.00 -1.59 0.25 0.71 0.00 0.00 0.00 175.76 175.13 2bs1 s TYR 42 N -3.47 3.51 0.01 0.00 1.51 -1.26 -4.27 117.35 113.37 2bs1 s TYR 42 Ca 0.62 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 57.31 2bs1 s TYR 42 Cb -0.10 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.50 2bs1 s TYR 42 CO 0.48 0.38 -0.12 0.21 -1.11 0.00 0.00 175.55 175.38 2bs1 s LYS 43 N 0.01 0.94 -0.03 -0.62 2.20 -0.75 -1.06 119.74 120.42 2bs1 s LYS 43 Ca 0.16 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2bs1 s LYS 43 Cb -0.13 -0.92 0.02 0.00 -1.51 0.00 0.00 37.83 35.29 2bs1 s LYS 43 CO 0.04 0.24 -0.04 0.08 -0.36 0.00 0.00 175.35 175.31 2bs1 s VAL 44 N -0.49 0.46 0.06 4.02 1.01 0.35 -0.88 120.40 124.93 2bs1 s VAL 44 Ca 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2bs1 s VAL 44 Cb -0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2bs1 s VAL 44 CO 0.00 0.19 -0.09 0.42 0.00 0.00 0.00 175.10 175.62 2bs1 s THR 45 N 0.67 0.73 -0.08 3.92 -4.23 -0.54 -0.02 115.64 116.09 2bs1 s THR 45 Ca -0.08 -1.30 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 2bs1 s THR 45 Cb -0.12 -0.93 0.05 0.00 1.34 0.00 0.00 72.50 72.84 2bs1 s THR 45 CO -0.00 -0.43 0.50 0.00 -0.54 0.00 0.00 174.62 174.15 2bs1 s SER 47 N -0.81 -0.46 0.06 0.00 1.04 -1.02 -1.81 113.70 110.70 2bs1 s SER 47 Ca -0.09 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.58 2bs1 s SER 47 Cb -0.03 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2bs1 s SER 47 CO 0.05 -0.64 -0.13 -0.69 0.98 0.00 0.00 173.24 172.81 2bs1 s VAL 48 N -2.55 1.01 0.18 5.02 1.01 -1.26 -1.11 120.40 122.70 2bs1 s VAL 48 Ca 0.00 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2bs1 s VAL 48 Cb -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.44 2bs1 s VAL 48 CO -0.05 -0.19 0.55 0.00 0.00 0.00 0.00 175.10 175.41 2bs1 s ARG 49 N -1.55 1.32 -0.57 2.72 1.70 -1.01 -4.99 118.95 116.57 2bs1 s ARG 49 Ca -0.02 -0.70 -0.23 0.00 -0.47 0.00 0.00 55.73 54.31 2bs1 s ARG 49 Cb -0.09 0.54 0.05 0.00 -0.57 0.00 0.00 34.95 34.88 2bs1 s ARG 49 CO 0.02 -0.57 0.89 -1.14 -1.08 0.00 0.00 175.30 173.42 2bs1 s GLN 50 N -3.82 3.25 0.55 3.89 0.74 -1.26 -0.03 119.66 122.97 2bs1 s GLN 50 Ca 0.05 -0.50 0.35 0.00 0.05 0.00 0.00 55.36 55.31 2bs1 s GLN 50 Cb -0.01 -4.10 1.50 0.00 1.10 0.00 0.00 33.01 31.50 2bs1 s GLN 50 CO -0.07 -1.51 2.02 0.66 -0.55 0.00 0.00 175.29 175.84 2bs1 h SER 51 N 9.31 0.00 -1.93 6.67 4.64 -1.66 -3.47 113.55 127.10 2bs1 h SER 51 Ca -0.27 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2bs1 h SER 51 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2bs1 h SER 51 CO 1.09 0.00 0.29 -1.54 -0.87 0.00 0.00 176.83 175.79 2bs1 n SER 52 N -3.04 -1.19 -0.31 4.97 3.41 -1.01 -4.98 113.62 111.48 2bs1 n SER 52 Ca 0.00 -1.71 -0.03 0.00 -0.26 0.00 0.00 58.87 56.88 2bs1 n SER 52 Cb 0.27 1.95 0.09 0.00 -0.26 0.00 0.00 64.21 66.26 2bs1 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs1 h ALA 53 N 2.00 1.09 -0.01 7.33 0.00 -2.04 -3.15 119.26 124.48 2bs1 h ALA 53 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bs1 h ALA 53 Cb 0.74 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bs1 h ALA 53 CO 0.24 0.41 -0.60 1.04 0.00 0.00 0.00 179.25 180.34 2bs1 n GLN 54 N -4.54 1.30 -4.26 0.00 1.13 -1.26 -4.92 117.38 104.84 2bs1 n GLN 54 Ca 0.10 -0.50 -0.21 0.00 -1.94 0.00 0.00 57.00 54.45 2bs1 n GLN 54 Cb 0.06 -1.36 -0.12 0.00 0.11 0.00 0.00 30.24 28.93 2bs1 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2bs1 s ASN 55 N -2.39 2.03 0.19 1.08 0.01 -1.19 0.04 114.94 114.70 2bs1 s ASN 55 Ca 0.12 -0.62 0.07 0.00 -0.71 0.00 0.00 52.86 51.72 2bs1 s ASN 55 Cb 0.14 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 2bs1 s ASN 55 CO 0.59 -0.00 0.06 -0.13 -1.51 0.00 0.00 177.10 176.11 2bs1 s ARG 56 N -1.70 2.59 -0.08 -0.60 0.52 0.04 -1.92 118.95 117.81 2bs1 s ARG 56 Ca 0.02 -1.06 -0.03 0.00 -0.52 0.00 0.00 55.73 54.14 2bs1 s ARG 56 Cb -0.10 -2.44 0.04 0.00 0.52 0.00 0.00 34.95 32.97 2bs1 s ARG 56 CO 0.03 0.45 0.15 0.21 0.02 0.00 0.00 175.30 176.16 2bs1 s LYS 57 N -3.16 0.06 0.01 3.54 2.20 0.95 -0.94 119.74 122.41 2bs1 s LYS 57 Ca 0.29 0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 56.20 2bs1 s LYS 57 Cb -0.09 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 35.94 2bs1 s LYS 57 CO 0.21 -0.24 0.51 0.71 -0.36 0.00 0.00 175.35 176.17 2bs1 s TYR 58 N 1.78 3.72 -0.18 4.03 1.51 0.96 -2.41 117.35 126.76 2bs1 s TYR 58 Ca -0.03 1.12 0.01 0.00 -1.01 0.00 0.00 57.07 57.16 2bs1 s TYR 58 Cb -0.12 -2.45 0.03 0.00 -0.11 0.00 0.00 41.96 39.31 2bs1 s TYR 58 CO -0.06 0.51 -0.14 0.99 -1.11 0.00 0.00 175.55 175.74 2bs1 s THR 59 N -0.71 1.79 -0.08 -0.71 2.01 -0.27 -1.14 115.64 116.54 2bs1 s THR 59 Ca 0.27 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2bs1 s THR 59 Cb -0.18 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 2bs1 s THR 59 CO 0.16 0.35 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.59 2bs1 s ILE 60 N 1.37 1.85 0.03 1.82 1.01 0.04 -2.44 121.20 124.87 2bs1 s ILE 60 Ca 0.02 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.81 2bs1 s ILE 60 Cb -0.15 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2bs1 s ILE 60 CO -0.10 0.51 -0.18 -0.54 0.00 0.00 0.00 174.94 174.63 2bs1 s LYS 61 N 0.24 1.29 -0.00 2.79 -0.14 -0.75 0.68 119.74 123.85 2bs1 s LYS 61 Ca -0.13 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.68 2bs1 s LYS 61 Cb -0.16 -1.33 0.00 0.00 -1.68 0.00 0.00 37.83 34.66 2bs1 s LYS 61 CO 0.06 0.35 -0.01 0.08 -0.76 0.00 0.00 175.35 175.07 2bs1 s VAL 62 N -0.69 0.10 -0.16 3.17 1.01 0.31 -1.46 120.40 122.68 2bs1 s VAL 62 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2bs1 s VAL 62 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.23 2bs1 s VAL 62 CO 0.01 0.03 -0.15 -1.61 0.00 0.00 0.00 175.10 173.38 2bs1 s GLU 63 N 0.02 2.46 -0.12 2.72 2.02 -0.06 -0.17 118.70 125.57 2bs1 s GLU 63 Ca 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.37 2bs1 s GLU 63 Cb -0.01 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 2bs1 s GLU 63 CO -0.00 -0.23 -0.14 0.08 0.02 0.00 0.00 175.26 174.99 2bs1 s VAL 64 N 1.44 3.00 0.48 2.63 1.01 -0.29 -1.81 120.40 126.86 2bs1 s VAL 64 Ca 0.05 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 2bs1 s VAL 64 Cb -0.13 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2bs1 s VAL 64 CO -0.11 0.54 1.00 -2.16 0.00 0.00 0.00 175.10 174.36 2bs1 s PRO 65 N 0.20 3.92 -0.24 2.72 0.04 -1.26 -0.75 135.00 139.63 2bs1 s PRO 65 Ca -0.08 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 61.93 2bs1 s PRO 65 Cb -0.15 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2bs1 s PRO 65 CO 0.05 -0.31 0.77 0.21 0.04 0.00 0.00 177.00 177.77 2bs1 s LYS 66 N -3.41 4.17 -0.15 4.56 2.20 -0.55 -4.88 119.74 121.68 2bs1 s LYS 66 Ca 0.64 0.83 0.06 0.00 -0.36 0.00 0.00 55.97 57.14 2bs1 s LYS 66 Cb -0.13 -3.64 -0.23 0.00 -1.51 0.00 0.00 37.83 32.32 2bs1 s LYS 66 CO 0.21 -0.48 0.26 0.28 -0.36 0.00 0.00 175.35 175.25 2bs1 n VAL 67 N 5.22 1.59 -1.68 4.02 0.31 -1.26 -4.63 118.33 121.89 2bs1 n VAL 67 Ca 0.04 -0.72 -0.48 0.00 -0.01 0.00 0.00 64.34 63.16 2bs1 n VAL 67 Cb 0.48 -1.19 -0.05 0.00 -0.91 0.00 0.00 33.84 32.17 2bs1 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bs1 n ALA 68 N -2.87 0.86 -1.00 3.52 0.00 -1.26 -0.64 120.51 119.12 2bs1 n ALA 68 Ca -0.31 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2bs1 n ALA 68 Cb 1.06 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2bs1 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bs1 n THR 69 N 4.50 0.00 -1.28 0.00 -2.24 -1.26 -4.99 114.28 109.01 2bs1 n THR 69 Ca 0.21 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.65 2bs1 n THR 69 Cb 0.28 -0.60 0.11 0.00 -2.10 0.00 0.00 70.33 68.01 2bs1 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2bs1 s GLN 70 N -1.20 1.88 -0.34 -0.78 0.74 0.19 -5.00 119.66 115.15 2bs1 s GLN 70 Ca 0.00 1.83 0.03 0.00 0.05 0.00 0.00 55.36 57.26 2bs1 s GLN 70 Cb 0.00 -1.80 0.10 0.00 1.10 0.00 0.00 33.01 32.42 2bs1 s GLN 70 CO 0.00 -2.05 0.07 0.99 -0.55 0.00 0.00 175.29 173.75 2bs1 s THR 71 N -1.97 1.89 -0.26 -0.34 2.01 -1.26 -5.08 115.64 110.63 2bs1 s THR 71 Ca 0.75 -2.10 -0.40 0.00 0.31 0.00 0.00 61.69 60.25 2bs1 s THR 71 Cb -0.31 -2.40 -0.16 0.00 0.01 0.00 0.00 72.50 69.65 2bs1 s THR 71 CO 0.48 -0.63 1.71 0.52 -0.69 0.00 0.00 174.62 176.01 2bs1 n VAL 72 N 4.39 0.28 -1.00 3.82 0.31 -1.26 -0.69 118.33 124.18 2bs1 n VAL 72 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2bs1 n VAL 72 Cb 0.42 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2bs1 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bs1 n GLY 73 N 4.07 0.87 3.94 2.92 0.00 -1.26 -5.03 105.19 110.70 2bs1 n GLY 73 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 2bs1 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bs1 s GLY 74 N -2.00 1.69 -0.55 -0.02 0.00 0.13 -5.03 107.32 101.54 2bs1 s GLY 74 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 2bs1 s GLY 74 CO 0.00 -0.66 0.76 0.14 0.00 0.00 0.00 173.10 173.35 2bs1 s VAL 75 N -2.99 4.67 -0.31 1.40 1.01 -1.26 -4.99 120.40 117.93 2bs1 s VAL 75 Ca 0.56 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 2bs1 s VAL 75 Cb -0.10 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 2bs1 s VAL 75 CO 0.43 -1.02 0.13 -1.61 0.00 0.00 0.00 175.10 173.02 2bs1 s GLU 76 N 3.16 3.27 0.14 2.72 2.02 -1.26 -5.09 118.70 123.67 2bs1 s GLU 76 Ca 0.19 -0.76 0.10 0.00 0.02 0.00 0.00 54.97 54.52 2bs1 s GLU 76 Cb -0.18 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2bs1 s GLU 76 CO 0.13 -0.42 -0.22 -0.51 0.02 0.00 0.00 175.26 174.25 2bs1 s LEU 77 N 1.58 2.37 0.31 1.80 2.01 -1.26 -4.08 118.68 121.41 2bs1 s LEU 77 Ca 0.04 -0.78 -0.27 0.00 0.01 0.00 0.00 54.13 53.13 2bs1 s LEU 77 Cb -0.17 -1.01 -0.10 0.00 0.01 0.00 0.00 46.19 44.92 2bs1 s LEU 77 CO 0.05 0.08 0.96 -2.16 1.01 0.00 0.00 176.35 176.28 2bs1 s PRO 78 N -2.33 4.62 0.34 1.29 0.04 -1.26 -5.00 135.00 132.71 2bs1 s PRO 78 Ca 0.14 1.40 0.12 0.00 0.04 0.00 0.00 61.00 62.69 2bs1 s PRO 78 Cb -0.08 -2.91 0.94 0.00 0.04 0.00 0.00 34.50 32.49 2bs1 s PRO 78 CO 0.06 0.30 1.74 0.28 0.04 0.00 0.00 177.00 179.43 2bs1 h VAL 79 N 2.72 0.54 0.00 -0.36 2.07 -2.00 0.36 116.25 119.58 2bs1 h VAL 79 Ca -0.46 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2bs1 h VAL 79 Cb 1.20 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2bs1 h VAL 79 CO 0.66 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.34 2bs1 h ALA 80 N 1.69 1.00 0.00 1.67 0.00 -1.93 -1.97 119.26 119.72 2bs1 h ALA 80 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2bs1 h ALA 80 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2bs1 h ALA 80 CO -0.42 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.00 2bs1 h ALA 81 N 2.06 0.56 -0.35 0.00 0.00 -1.31 -3.37 119.26 116.85 2bs1 h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bs1 h ALA 81 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bs1 h ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.16 2bs1 n TRP 82 N -2.58 0.73 -3.84 0.00 7.02 -0.75 -4.92 117.44 113.11 2bs1 n TRP 82 Ca 0.01 -0.64 -0.12 0.00 -1.02 0.00 0.00 57.50 55.73 2bs1 n TRP 82 Cb 0.52 -0.15 -0.11 0.00 -2.42 0.00 0.00 31.31 29.15 2bs1 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2bs1 s ARG 83 N -1.72 0.36 -0.03 -0.99 0.52 -1.18 -1.48 118.95 114.44 2bs1 s ARG 83 Ca 0.33 -0.08 0.05 0.00 -0.52 0.00 0.00 55.73 55.50 2bs1 s ARG 83 Cb 0.22 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 2bs1 s ARG 83 CO 0.14 -0.07 -0.17 -1.12 0.02 0.00 0.00 175.30 174.10 2bs1 s SER 84 N -0.68 3.80 -0.06 0.23 0.01 0.07 -4.92 113.70 112.15 2bs1 s SER 84 Ca -0.08 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 56.94 2bs1 s SER 84 Cb -0.04 -0.70 -0.00 0.00 0.21 0.00 0.00 66.02 65.48 2bs1 s SER 84 CO 0.01 0.32 -0.21 -0.31 0.41 0.00 0.00 173.24 173.46 2bs1 s TYR 85 N -0.75 2.13 -0.10 2.43 1.51 -1.26 -1.14 117.35 120.17 2bs1 s TYR 85 Ca 0.12 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 2bs1 s TYR 85 Cb -0.10 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 2bs1 s TYR 85 CO 0.01 -0.26 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.84 2bs1 s LEU 86 N 0.12 2.42 -0.20 -1.29 2.96 0.76 -4.99 118.68 118.46 2bs1 s LEU 86 Ca -0.09 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2bs1 s LEU 86 Cb -0.14 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.10 2bs1 s LEU 86 CO 0.05 0.19 -0.00 0.00 -1.32 0.00 0.00 176.35 175.26 2bs1 s ALA 87 N 0.18 1.36 -0.07 5.97 0.00 -1.26 -0.53 121.76 127.41 2bs1 s ALA 87 Ca -0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2bs1 s ALA 87 Cb -0.16 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 2bs1 s ALA 87 CO 0.06 -1.11 0.03 -1.64 0.00 0.00 0.00 175.76 173.10 2bs1 s MET 88 N 1.68 3.03 -0.16 0.00 -1.94 0.21 -4.98 119.30 117.14 2bs1 s MET 88 Ca -0.02 -0.41 -0.03 0.00 -1.71 0.00 0.00 55.69 53.52 2bs1 s MET 88 Cb -0.17 -2.84 0.05 0.00 2.01 0.00 0.00 34.83 33.88 2bs1 s MET 88 CO -0.07 0.69 0.03 0.15 -0.01 0.00 0.00 175.02 175.81 2bs1 s LYS 89 N -1.13 0.60 -0.30 2.03 1.02 -1.26 -0.78 119.74 119.94 2bs1 s LYS 89 Ca 0.16 -0.28 -0.07 0.00 0.02 0.00 0.00 55.97 55.80 2bs1 s LYS 89 Cb -0.12 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 2bs1 s LYS 89 CO 0.05 -0.57 0.09 -1.17 -0.92 0.00 0.00 175.35 172.83 2bs1 s LEU 90 N 1.90 3.89 -0.22 3.17 2.96 -0.29 -4.96 118.68 125.13 2bs1 s LEU 90 Ca 0.01 -0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 2bs1 s LEU 90 Cb -0.16 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2bs1 s LEU 90 CO -0.07 -0.20 0.12 -0.89 -1.32 0.00 0.00 176.35 173.99 2bs1 s THR 91 N 1.50 5.08 -0.09 3.68 2.01 -1.26 -0.03 115.64 126.53 2bs1 s THR 91 Ca 0.02 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2bs1 s THR 91 Cb -0.17 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.01 2bs1 s THR 91 CO 0.03 0.38 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.63 2bs1 s ILE 92 N 0.90 0.92 0.43 1.82 1.01 -0.11 -4.97 121.20 121.19 2bs1 s ILE 92 Ca 0.06 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.19 2bs1 s ILE 92 Cb -0.13 -0.92 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 2bs1 s ILE 92 CO 0.03 0.33 1.35 -2.65 0.00 0.00 0.00 174.94 174.01 2bs1 n PRO 93 N 4.58 2.10 0.00 2.79 -0.02 -1.26 -0.78 135.00 142.41 2bs1 n PRO 93 Ca -0.16 0.75 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2bs1 n PRO 93 Cb 0.51 -2.51 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 2bs1 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bs1 n ILE 94 N -0.19 1.05 1.15 4.25 -5.35 0.11 -1.52 119.36 118.86 2bs1 n ILE 94 Ca 0.06 0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.92 2bs1 n ILE 94 Cb 0.40 -1.21 0.29 0.00 -1.74 0.00 0.00 39.64 37.38 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 -1.29 0.00 -2.21 4.28 3.72 -1.26 -4.91 117.46 115.79 2bs1 n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2bs1 n PHE 95 Cb 0.02 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.64 3.58 0.77 4.37 0.00 -0.58 -5.01 121.76 122.25 2bs1 s ALA 96 Ca 0.20 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 2bs1 s ALA 96 Cb 0.19 -3.59 0.11 0.00 0.00 0.00 0.00 23.12 19.82 2bs1 s ALA 96 CO 0.58 -0.89 1.08 0.95 0.00 0.00 0.00 175.76 177.49 2bs1 s THR 97 N 2.30 2.18 0.30 0.00 -4.23 -1.26 -4.82 115.64 110.10 2bs1 s THR 97 Ca 0.64 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.89 2bs1 s THR 97 Cb -0.32 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 70.91 2bs1 s THR 97 CO 0.27 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 177.02 2bs1 h ASN 98 N -0.84 0.88 -0.09 3.99 4.21 -1.99 0.14 115.58 121.89 2bs1 h ASN 98 Ca -0.43 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.10 2bs1 h ASN 98 Cb 1.28 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2bs1 h ASN 98 CO 0.50 0.53 0.03 0.28 -1.29 0.00 0.00 177.43 177.48 2bs1 h SER 99 N 0.98 0.12 -0.72 5.81 0.02 -1.99 0.28 113.55 118.05 2bs1 h SER 99 Ca 0.42 -0.18 0.11 0.00 -0.84 0.00 0.00 61.79 61.30 2bs1 h SER 99 Cb 0.33 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.76 2bs1 h SER 99 CO -0.18 0.28 0.33 0.44 -1.14 0.00 0.00 176.83 176.56 2bs1 h ASP 100 N -0.03 0.39 -0.01 3.07 3.32 -1.60 -0.84 116.42 120.72 2bs1 h ASP 100 Ca 0.03 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2bs1 h ASP 100 Cb 0.19 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2bs1 h ASP 100 CO -0.00 0.20 -0.25 0.00 -1.72 0.00 0.00 179.24 177.47 2bs1 h GLU 102 N 0.37 0.82 -0.26 0.00 5.08 0.45 -1.52 114.58 119.52 2bs1 h GLU 102 Ca 0.06 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2bs1 h GLU 102 Cb 0.64 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2bs1 h GLU 102 CO 0.05 0.70 -0.49 1.25 -1.00 0.00 0.00 179.01 179.52 2bs1 h LEU 103 N 0.80 0.77 -1.00 1.33 6.46 -0.95 -1.99 115.31 120.74 2bs1 h LEU 103 Ca 0.18 -0.38 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 2bs1 h LEU 103 Cb 0.22 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2bs1 h LEU 103 CO -0.01 1.12 0.39 0.40 -0.62 0.00 0.00 178.44 179.73 2bs1 h ILE 104 N 0.56 1.24 -0.47 4.05 2.04 -0.92 0.07 117.51 124.06 2bs1 h ILE 104 Ca 0.03 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 2bs1 h ILE 104 Cb 1.04 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2bs1 h ILE 104 CO 0.10 0.28 -0.03 0.58 0.00 0.00 0.00 178.15 179.08 2bs1 h VAL 105 N 1.10 1.27 -0.72 1.67 2.07 -1.10 -2.25 116.25 118.28 2bs1 h VAL 105 Ca 0.27 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2bs1 h VAL 105 Cb 0.08 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2bs1 h VAL 105 CO -0.04 0.38 0.47 0.11 0.02 0.00 0.00 177.57 178.52 2bs1 h LYS 106 N 0.71 0.96 -0.76 1.57 1.57 -0.71 -0.83 116.57 119.07 2bs1 h LYS 106 Ca 0.13 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 2bs1 h LYS 106 Cb 0.54 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 2bs1 h LYS 106 CO 0.03 0.65 0.46 0.00 -0.57 0.00 0.00 179.45 180.01 2bs1 h ALA 107 N 1.26 1.04 -0.60 3.86 0.00 -0.75 0.18 119.26 124.25 2bs1 h ALA 107 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2bs1 h ALA 107 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2bs1 h ALA 107 CO -0.06 0.17 0.13 0.52 0.00 0.00 0.00 179.25 180.02 2bs1 h MET 108 N 0.84 0.94 -0.22 0.00 2.86 -0.74 -0.21 114.93 118.39 2bs1 h MET 108 Ca 0.34 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2bs1 h MET 108 Cb 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2bs1 h MET 108 CO -0.17 0.85 -0.05 1.96 1.06 0.00 0.00 176.91 180.55 2bs1 h GLN 109 N 0.90 0.42 -0.75 1.72 4.20 -0.10 -2.84 115.11 118.65 2bs1 h GLN 109 Ca 0.19 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2bs1 h GLN 109 Cb 0.34 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 2bs1 h GLN 109 CO 0.00 0.66 0.47 0.78 -0.67 0.00 0.00 178.83 180.07 2bs1 h GLY 110 N 0.16 1.09 0.27 3.46 0.00 -0.47 0.79 103.07 108.36 2bs1 h GLY 110 Ca 0.06 -0.44 0.14 0.00 0.00 0.00 0.00 47.33 47.09 2bs1 h GLY 110 CO 0.02 0.43 0.49 -2.00 0.00 0.00 0.00 176.54 175.47 2bs1 h LEU 111 N 1.03 0.62 -2.11 3.11 5.85 -0.92 -2.55 115.31 120.34 2bs1 h LEU 111 Ca 0.27 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2bs1 h LEU 111 Cb -0.06 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2bs1 h LEU 111 CO -0.05 0.28 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 2bs1 n LEU 112 N -4.81 3.17 -4.71 2.25 4.77 -0.88 -4.42 117.00 112.37 2bs1 n LEU 112 Ca 0.18 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.49 2bs1 n LEU 112 Cb 0.43 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2bs1 n LEU 112 CO 0.22 0.61 0.91 1.17 -1.33 0.00 0.00 177.39 178.98 2bs1 n LYS 113 N 1.37 2.06 -1.71 3.23 4.81 0.22 -4.81 118.16 123.33 2bs1 n LYS 113 Ca 0.16 0.73 -0.43 0.00 -0.87 0.00 0.00 58.31 57.90 2bs1 n LYS 113 Cb 0.58 -2.39 -0.03 0.00 0.02 0.00 0.00 35.03 33.22 2bs1 n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bs1 n ASP 114 N 0.43 3.52 0.00 3.14 2.03 -1.26 -2.18 116.55 122.23 2bs1 n ASP 114 Ca 0.05 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2bs1 n ASP 114 Cb 0.38 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 2bs1 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bs1 n GLY 115 N 2.90 1.43 3.90 0.27 0.00 -1.26 -5.07 105.19 107.36 2bs1 n GLY 115 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.61 6.15 0.06 1.61 0.01 -0.93 -4.92 114.94 115.32 2bs1 s ASN 116 Ca 0.00 0.98 -0.14 0.00 -0.71 0.00 0.00 52.86 52.99 2bs1 s ASN 116 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 2bs1 s ASN 116 CO 0.00 -0.71 1.23 -0.65 -1.51 0.00 0.00 177.10 175.46 2bs1 h PRO 117 N 0.06 -0.06 0.10 -0.60 0.11 -1.89 -2.11 132.00 127.61 2bs1 h PRO 117 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2bs1 h PRO 117 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2bs1 h PRO 117 CO 0.62 -0.04 -0.42 0.82 -0.21 0.00 0.00 178.00 178.77 2bs1 h ILE 118 N -0.06 0.16 0.00 4.15 1.08 -1.96 -0.15 117.51 120.73 2bs1 h ILE 118 Ca 0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2bs1 h ILE 118 Cb 0.20 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2bs1 h ILE 118 CO -0.35 0.00 -0.15 1.55 -0.69 0.00 0.00 178.15 178.51 2bs1 h PRO 119 N -0.63 0.00 -0.12 2.37 0.13 -1.76 -1.88 132.00 130.09 2bs1 h PRO 119 Ca 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.02 2bs1 h PRO 119 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2bs1 h PRO 119 CO -0.26 0.15 -0.51 0.77 -0.23 0.00 0.00 178.00 177.92 2bs1 h SER 120 N 0.00 0.37 0.05 1.44 0.02 -0.73 -1.19 113.55 113.52 2bs1 h SER 120 Ca -0.00 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2bs1 h SER 120 Cb 0.27 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2bs1 h SER 120 CO 0.02 0.82 -0.02 0.00 -1.14 0.00 0.00 176.83 176.51 2bs1 h ALA 121 N 1.19 -0.07 -0.32 3.77 0.00 -0.37 -3.05 119.26 120.41 2bs1 h ALA 121 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2bs1 h ALA 121 Cb 1.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2bs1 h ALA 121 CO 0.09 -0.27 0.09 0.82 0.00 0.00 0.00 179.25 179.98 2bs1 h ILE 122 N -0.60 0.89 0.00 0.00 2.04 -1.36 -0.49 117.51 117.98 2bs1 h ILE 122 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2bs1 h ILE 122 Cb 0.53 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2bs1 h ILE 122 CO 0.01 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2bs1 n ALA 123 N -2.33 1.45 -0.97 1.87 0.00 -0.45 -2.08 120.51 118.00 2bs1 n ALA 123 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2bs1 n ALA 123 Cb 0.12 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.35 2.15 -3.67 0.00 0.00 -0.59 -4.98 120.51 112.07 2bs1 n ALA 124 Ca 0.03 -2.09 -0.27 0.00 0.00 0.00 0.00 53.44 51.10 2bs1 n ALA 124 Cb 0.06 -0.31 0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.07 -5.04 -4.52 0.00 3.02 -0.88 -4.96 115.26 101.81 2bs1 n ASN 125 Ca 0.11 -0.62 -0.26 0.00 -0.03 0.00 0.00 54.58 53.77 2bs1 n ASN 125 Cb 0.57 -4.03 -0.10 0.00 -0.61 0.00 0.00 39.78 35.61 2bs1 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bs1 s SER 126 N -3.13 3.27 0.00 6.41 0.01 -0.30 -5.05 113.70 114.92 2bs1 s SER 126 Ca 0.57 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2bs1 s SER 126 Cb -0.28 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2bs1 s SER 126 CO 0.70 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2bs1 n GLY 127 N -0.92 4.86 3.84 3.44 0.00 -1.26 -4.29 105.19 110.87 2bs1 n GLY 127 Ca -0.07 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 1.51 5.19 0.00 -0.61 -1.09 -1.26 -4.82 121.20 120.12 2bs1 s ILE 128 Ca 0.00 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 2bs1 s ILE 128 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2bs1 s ILE 128 CO 0.00 0.58 0.00 0.00 -1.23 0.00 0.00 174.94 174.29