#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bny s SER 2 N 0.00 -0.21 0.00 0.00 0.15 -1.26 -5.03 113.70 107.34 2bny s SER 2 Ca 0.00 0.35 0.24 0.00 0.70 0.00 0.00 55.95 57.24 2bny s SER 2 Cb 0.00 0.95 0.24 0.00 -1.71 0.00 0.00 66.02 65.51 2bny s SER 2 CO 0.00 -0.06 1.29 -0.46 1.20 0.00 0.00 173.24 175.21 2bny n ASN 3 N 3.03 2.81 -4.17 5.45 6.94 -1.26 -4.66 115.26 123.41 2bny n ASN 3 Ca -0.16 -1.92 -0.43 0.00 -0.02 0.00 0.00 54.58 52.04 2bny n ASN 3 Cb 0.57 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2bny n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2bny n PHE 4 N 1.16 4.05 -4.52 -2.53 7.35 -1.26 -4.92 117.46 116.79 2bny n PHE 4 Ca 0.14 -2.98 -0.24 0.00 -0.76 0.00 0.00 57.45 53.61 2bny n PHE 4 Cb 0.57 -2.37 -0.11 0.00 0.35 0.00 0.00 39.48 37.93 2bny n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bny s THR 5 N 2.52 1.68 0.62 -2.13 -4.23 -1.26 -4.84 115.64 107.99 2bny s THR 5 Ca 0.46 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 2bny s THR 5 Cb 0.06 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 2bny s THR 5 CO 0.00 -0.07 1.03 0.00 -0.54 0.00 0.00 174.62 175.04 2bny s GLN 6 N -3.77 3.43 0.07 3.99 -2.07 -1.26 -4.59 119.66 115.46 2bny s GLN 6 Ca 0.34 0.92 -0.23 0.00 -1.82 0.00 0.00 55.36 54.57 2bny s GLN 6 Cb 0.08 -2.06 0.06 0.00 -1.09 0.00 0.00 33.01 30.00 2bny s GLN 6 CO 0.16 -0.70 0.56 -0.59 -1.32 0.00 0.00 175.29 173.39 2bny s PHE 7 N -2.92 -0.47 -0.34 9.60 -0.71 -0.21 -5.00 117.98 117.93 2bny s PHE 7 Ca 0.58 0.49 -0.27 0.00 -1.04 0.00 0.00 56.93 56.69 2bny s PHE 7 Cb -0.12 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.10 2bny s PHE 7 CO 0.47 -0.69 1.00 0.54 -1.34 0.00 0.00 175.22 175.20 2bny s VAL 8 N -2.68 4.55 -0.01 -2.49 0.11 -1.26 -0.82 120.40 117.80 2bny s VAL 8 Ca -0.04 1.52 -0.19 0.00 -2.93 0.00 0.00 61.98 60.33 2bny s VAL 8 Cb -0.00 -4.37 -0.31 0.00 -1.53 0.00 0.00 36.38 30.17 2bny s VAL 8 CO -0.04 -0.48 0.98 0.25 -3.33 0.00 0.00 175.10 172.48 2bny h LEU 9 N 10.04 0.61 -7.95 2.54 5.85 -1.18 -3.44 115.31 121.79 2bny h LEU 9 Ca -0.22 -0.90 -0.65 0.00 0.84 0.00 0.00 57.88 56.95 2bny h LEU 9 Cb 1.07 -0.20 -0.36 0.00 0.37 0.00 0.00 40.66 41.54 2bny h LEU 9 CO 1.00 1.46 -0.84 -0.69 -0.34 0.00 0.00 178.44 179.04 2bny s VAL 10 N -2.67 1.94 -0.33 1.05 1.01 -0.62 -4.99 120.40 115.79 2bny s VAL 10 Ca -0.12 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 2bny s VAL 10 Cb 0.03 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2bny s VAL 10 CO 0.87 0.35 0.26 -0.62 0.00 0.00 0.00 175.10 175.96 2bny s ASP 11 N 1.30 6.09 -0.32 3.32 2.15 -1.26 -0.58 116.67 127.37 2bny s ASP 11 Ca 0.01 -0.30 0.08 0.00 0.43 0.00 0.00 52.55 52.77 2bny s ASP 11 Cb -0.15 -2.15 0.46 0.00 -0.30 0.00 0.00 42.92 40.78 2bny s ASP 11 CO -0.10 -0.23 1.17 0.59 -0.17 0.00 0.00 175.17 176.43 2bny n ASN 12 N 5.16 4.62 -3.09 -0.34 3.02 -1.26 -4.96 115.26 118.41 2bny n ASN 12 Ca -0.12 -3.62 -0.16 0.00 -0.03 0.00 0.00 54.58 50.65 2bny n ASN 12 Cb 0.50 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.37 2bny n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bny n GLY 13 N -0.65 -0.26 3.79 7.41 0.00 -1.26 -3.09 105.19 111.13 2bny n GLY 13 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2bny n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bny n GLY 14 N -1.27 0.75 2.66 -0.02 0.00 -1.26 -4.91 105.19 101.15 2bny n GLY 14 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2bny n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bny s THR 15 N -2.13 0.89 0.00 2.61 -4.23 -1.18 -4.65 115.64 106.96 2bny s THR 15 Ca 0.00 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2bny s THR 15 Cb 0.00 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2bny s THR 15 CO 0.00 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 2bny n GLY 16 N 4.20 1.27 3.68 3.99 0.00 -1.26 -4.81 105.19 112.27 2bny n GLY 16 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2bny n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bny s ASP 17 N -2.00 6.66 -0.59 1.61 1.11 -1.26 -4.65 116.67 117.54 2bny s ASP 17 Ca 0.00 2.37 -0.23 0.00 0.18 0.00 0.00 52.55 54.87 2bny s ASP 17 Cb 0.00 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.49 2bny s ASP 17 CO 0.00 -0.87 0.93 -0.69 1.18 0.00 0.00 175.17 175.72 2bny s VAL 18 N 2.90 4.40 -0.11 -1.27 1.01 0.25 -4.96 120.40 122.63 2bny s VAL 18 Ca 0.72 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 2bny s VAL 18 Cb -0.37 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 2bny s VAL 18 CO 0.31 -1.23 0.12 0.28 0.00 0.00 0.00 175.10 174.58 2bny s THR 19 N 3.90 5.29 0.03 3.92 -1.32 -1.26 -0.58 115.64 125.62 2bny s THR 19 Ca 0.26 0.11 0.08 0.00 -1.21 0.00 0.00 61.69 60.92 2bny s THR 19 Cb -0.15 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.51 2bny s THR 19 CO 0.15 0.60 -0.21 -0.69 -2.21 0.00 0.00 174.62 172.26 2bny s VAL 20 N -1.02 2.52 0.13 5.08 1.01 -0.00 -4.41 120.40 123.71 2bny s VAL 20 Ca 0.15 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.95 2bny s VAL 20 Cb -0.12 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2bny s VAL 20 CO 0.05 0.38 -0.12 0.00 0.00 0.00 0.00 175.10 175.40 2bny s ALA 21 N -0.85 1.41 0.24 5.51 0.00 -0.54 -1.05 121.76 126.48 2bny s ALA 21 Ca 0.13 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 2bny s ALA 21 Cb -0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.87 2bny s ALA 21 CO 0.03 0.02 1.45 -2.30 0.00 0.00 0.00 175.76 174.96 2bny n PRO 22 N 0.32 2.15 0.00 0.00 -0.02 -1.26 -1.24 135.00 134.95 2bny n PRO 22 Ca -0.14 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2bny n PRO 22 Cb 0.58 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2bny n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bny n SER 23 N 2.27 1.83 -3.55 2.55 3.41 -0.26 -4.82 113.62 115.05 2bny n SER 23 Ca 0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.63 2bny n SER 23 Cb 0.32 0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 2bny n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bny s ASN 24 N -0.75 -0.36 0.00 4.04 3.84 -1.23 -4.98 114.94 115.51 2bny s ASN 24 Ca 0.00 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.33 2bny s ASN 24 Cb 0.00 0.32 0.00 0.00 -0.55 0.00 0.00 41.25 41.02 2bny s ASN 24 CO 0.00 -0.42 0.88 0.33 -2.79 0.00 0.00 177.10 175.10 2bny n PHE 25 N 0.38 0.00 -2.15 0.43 -0.00 -1.25 -0.19 117.46 114.69 2bny n PHE 25 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.94 2bny n PHE 25 Cb 0.59 -0.01 -0.03 0.00 -0.00 0.00 0.00 39.48 40.03 2bny n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bny s ALA 26 N 0.00 3.59 -0.79 3.13 0.00 -1.25 -3.10 121.76 123.34 2bny s ALA 26 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2bny s ALA 26 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2bny s ALA 26 CO 0.00 -0.62 0.00 0.09 0.00 0.00 0.00 175.76 175.23 2bny n ASN 27 N 3.46 -3.31 -0.35 0.00 3.02 -1.26 -3.31 115.26 113.51 2bny n ASN 27 Ca 0.10 0.05 -0.05 0.00 -0.03 0.00 0.00 54.58 54.65 2bny n ASN 27 Cb 0.42 -2.34 -0.02 0.00 -0.61 0.00 0.00 39.78 37.23 2bny n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bny n GLY 28 N -1.25 0.68 3.20 7.41 0.00 -1.18 -4.98 105.19 109.07 2bny n GLY 28 Ca -0.10 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2bny n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bny s VAL 29 N -1.96 3.14 -0.01 1.61 1.01 -1.21 -4.60 120.40 118.39 2bny s VAL 29 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 2bny s VAL 29 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2bny s VAL 29 CO 0.00 -0.07 1.05 0.00 0.00 0.00 0.00 175.10 176.08 2bny s ALA 30 N 1.29 3.28 0.18 5.51 0.00 -0.18 -3.90 121.76 127.95 2bny s ALA 30 Ca -0.04 0.59 0.10 0.00 0.00 0.00 0.00 51.96 52.62 2bny s ALA 30 Cb -0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2bny s ALA 30 CO -0.01 -0.38 -0.19 -2.00 0.00 0.00 0.00 175.76 173.18 2bny s GLU 31 N 1.29 1.70 -0.07 0.00 2.12 0.74 -1.14 118.70 123.34 2bny s GLU 31 Ca 0.53 -1.40 -0.06 0.00 0.36 0.00 0.00 54.97 54.41 2bny s GLU 31 Cb -0.23 -1.97 0.02 0.00 0.26 0.00 0.00 34.13 32.21 2bny s GLU 31 CO 0.26 0.42 0.17 -1.58 -0.54 0.00 0.00 175.26 174.00 2bny s TRP 32 N -1.59 -0.19 0.11 5.30 0.51 -0.27 -1.10 118.94 121.70 2bny s TRP 32 Ca 0.21 0.48 -0.03 0.00 -2.12 0.00 0.00 56.10 54.64 2bny s TRP 32 Cb -0.09 0.05 -0.03 0.00 -0.81 0.00 0.00 33.47 32.59 2bny s TRP 32 CO 0.11 -0.11 0.08 0.96 -0.51 0.00 0.00 176.95 177.49 2bny s ILE 33 N 0.29 0.13 0.59 2.03 -0.00 -0.37 -1.24 121.20 122.64 2bny s ILE 33 Ca -0.02 -1.72 -0.04 0.00 -0.00 0.00 0.00 60.65 58.87 2bny s ILE 33 Cb -0.03 -1.78 0.02 0.00 -0.00 0.00 0.00 42.46 40.67 2bny s ILE 33 CO -0.01 -0.61 0.88 -0.94 -0.00 0.00 0.00 174.94 174.25 2bny s SER 34 N -2.98 5.43 -0.29 4.36 1.04 -0.95 -1.47 113.70 118.84 2bny s SER 34 Ca 0.16 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.07 2bny s SER 34 Cb 0.07 -1.47 -0.13 0.00 0.10 0.00 0.00 66.02 64.59 2bny s SER 34 CO -0.03 -1.13 2.30 -1.20 0.98 0.00 0.00 173.24 174.16 2bny n SER 35 N -2.55 3.75 -3.25 7.02 7.64 -1.26 -4.77 113.62 120.20 2bny n SER 35 Ca 0.05 -2.16 -0.16 0.00 1.01 0.00 0.00 58.87 57.61 2bny n SER 35 Cb 0.58 -0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 2bny n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2bny n ASN 36 N 3.15 2.29 -4.81 6.43 4.13 -1.26 -5.10 115.26 120.08 2bny n ASN 36 Ca 0.32 -2.19 -0.33 0.00 1.68 0.00 0.00 54.58 54.06 2bny n ASN 36 Cb 0.42 0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 38.94 2bny n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2bny s SER 37 N -2.46 6.18 0.57 6.41 1.04 -1.26 -4.79 113.70 119.38 2bny s SER 37 Ca 0.03 1.77 0.30 0.00 0.48 0.00 0.00 55.95 58.53 2bny s SER 37 Cb 0.00 -2.53 1.46 0.00 0.10 0.00 0.00 66.02 65.04 2bny s SER 37 CO 0.02 -0.89 1.87 -0.09 0.98 0.00 0.00 173.24 175.13 2bny h ARG 38 N 0.87 0.00 0.00 4.02 9.65 -1.97 0.37 114.38 127.33 2bny h ARG 38 Ca -0.47 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 2bny h ARG 38 Cb 1.21 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2bny h ARG 38 CO 0.59 0.00 -0.05 0.66 2.80 0.00 0.00 179.97 183.97 2bny h SER 39 N 0.00 0.00 -0.03 -3.80 4.64 -1.90 -3.29 113.55 109.18 2bny h SER 39 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2bny h SER 39 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2bny h SER 39 CO -0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2bny n GLN 40 N -3.12 2.41 -3.12 4.77 6.02 0.04 -3.91 117.38 120.46 2bny n GLN 40 Ca 0.03 -1.95 -0.33 0.00 -0.01 0.00 0.00 57.00 54.74 2bny n GLN 40 Cb 0.51 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.49 2bny n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bny s ALA 41 N -1.71 3.34 0.28 -1.58 0.00 -0.69 -4.81 121.76 116.60 2bny s ALA 41 Ca 0.14 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 2bny s ALA 41 Cb 0.11 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 2bny s ALA 41 CO 0.02 0.33 0.96 0.71 0.00 0.00 0.00 175.76 177.78 2bny s TYR 42 N -1.86 3.82 -0.02 0.00 1.51 -1.26 -4.68 117.35 114.85 2bny s TYR 42 Ca 0.51 1.84 0.02 0.00 -1.01 0.00 0.00 57.07 58.43 2bny s TYR 42 Cb -0.12 -3.00 0.01 0.00 -0.11 0.00 0.00 41.96 38.74 2bny s TYR 42 CO 0.18 0.23 -0.07 0.21 -1.11 0.00 0.00 175.55 175.00 2bny s LYS 43 N -1.56 0.79 -0.08 -0.62 2.20 -1.03 -2.24 119.74 117.20 2bny s LYS 43 Ca 0.45 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2bny s LYS 43 Cb -0.24 -0.76 0.02 0.00 -1.51 0.00 0.00 37.83 35.34 2bny s LYS 43 CO 0.30 0.06 -0.09 0.08 -0.36 0.00 0.00 175.35 175.34 2bny s VAL 44 N 0.31 0.97 0.05 4.02 1.01 -0.37 -0.15 120.40 126.23 2bny s VAL 44 Ca -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.66 2bny s VAL 44 Cb -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2bny s VAL 44 CO 0.00 0.33 -0.16 0.42 0.00 0.00 0.00 175.10 175.69 2bny s THR 45 N 1.10 1.28 -0.02 3.92 -4.23 0.16 -1.11 115.64 116.75 2bny s THR 45 Ca -0.07 -1.10 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 2bny s THR 45 Cb -0.14 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.55 2bny s THR 45 CO -0.01 0.04 0.12 0.00 -0.54 0.00 0.00 174.62 174.23 2bny s SER 47 N -0.80 -0.68 -0.03 0.00 1.04 -0.72 -1.01 113.70 111.50 2bny s SER 47 Ca -0.09 1.16 0.04 0.00 0.48 0.00 0.00 55.95 57.54 2bny s SER 47 Cb -0.05 1.13 -0.03 0.00 0.10 0.00 0.00 66.02 67.17 2bny s SER 47 CO 0.01 -0.34 -0.15 -0.69 0.98 0.00 0.00 173.24 173.05 2bny s VAL 48 N -0.10 3.02 -0.01 5.02 1.01 -1.26 -0.64 120.40 127.43 2bny s VAL 48 Ca -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2bny s VAL 48 Cb -0.03 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2bny s VAL 48 CO 0.03 0.53 0.09 -0.60 0.00 0.00 0.00 175.10 175.15 2bny s ARG 49 N -0.90 0.27 -1.35 2.72 3.52 -0.53 -4.98 118.95 117.70 2bny s ARG 49 Ca 0.12 -0.17 -0.13 0.00 -0.13 0.00 0.00 55.73 55.43 2bny s ARG 49 Cb -0.11 0.11 0.10 0.00 -1.56 0.00 0.00 34.95 33.50 2bny s ARG 49 CO 0.02 -0.05 1.94 0.94 -0.81 0.00 0.00 175.30 177.34 2bny n GLN 50 N 2.28 3.23 -0.37 5.12 -0.06 -1.26 0.33 117.38 126.64 2bny n GLN 50 Ca -0.18 -3.17 0.30 0.00 -2.00 0.00 0.00 57.00 51.96 2bny n GLN 50 Cb 0.57 -3.17 0.60 0.00 -4.06 0.00 0.00 30.24 24.19 2bny n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2bny h SER 51 N 6.28 0.30 -3.45 1.69 4.64 -1.87 -3.43 113.55 117.71 2bny h SER 51 Ca 0.46 0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 61.63 2bny h SER 51 Cb 0.70 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 2bny h SER 51 CO 1.66 -0.02 -0.23 -0.24 -0.87 0.00 0.00 176.83 177.13 2bny n SER 52 N -4.56 -0.12 0.09 4.97 2.88 -1.18 -4.98 113.62 110.72 2bny n SER 52 Ca 0.30 -2.08 -0.06 0.00 -1.33 0.00 0.00 58.87 55.70 2bny n SER 52 Cb 1.15 0.78 0.09 0.00 -0.75 0.00 0.00 64.21 65.47 2bny n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bny h ALA 53 N 1.50 0.77 -0.12 -1.46 0.00 -2.03 -3.30 119.26 114.62 2bny h ALA 53 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2bny h ALA 53 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bny h ALA 53 CO 0.18 0.79 0.00 1.04 0.00 0.00 0.00 179.25 181.26 2bny n GLN 54 N -3.81 2.75 -4.23 0.00 6.02 -1.26 -4.99 117.38 111.86 2bny n GLN 54 Ca -0.02 -1.89 -0.14 0.00 -0.01 0.00 0.00 57.00 54.94 2bny n GLN 54 Cb 0.67 -1.20 -0.10 0.00 1.02 0.00 0.00 30.24 30.63 2bny n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2bny s ASN 55 N -1.30 1.67 0.00 1.08 0.02 -1.25 -1.55 114.94 113.61 2bny s ASN 55 Ca 0.14 -0.98 0.03 0.00 -1.02 0.00 0.00 52.86 51.02 2bny s ASN 55 Cb 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 41.25 41.36 2bny s ASN 55 CO 0.06 -0.34 -0.08 -0.13 0.02 0.00 0.00 177.10 176.63 2bny s ARG 56 N -3.61 0.64 -0.10 -0.60 0.52 -0.68 -3.08 118.95 112.05 2bny s ARG 56 Ca 0.14 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2bny s ARG 56 Cb 0.02 -0.60 0.02 0.00 0.52 0.00 0.00 34.95 34.91 2bny s ARG 56 CO -0.00 0.16 -0.10 0.21 0.02 0.00 0.00 175.30 175.59 2bny s LYS 57 N -0.45 1.65 -0.12 3.54 2.20 0.15 -0.92 119.74 125.79 2bny s LYS 57 Ca 0.01 -0.33 -0.13 0.00 -0.36 0.00 0.00 55.97 55.16 2bny s LYS 57 Cb -0.04 -1.58 -0.05 0.00 -1.51 0.00 0.00 37.83 34.65 2bny s LYS 57 CO -0.00 -0.17 0.29 0.71 -0.36 0.00 0.00 175.35 175.82 2bny s TYR 58 N 1.36 3.54 -0.20 4.03 1.51 -0.10 -1.46 117.35 126.03 2bny s TYR 58 Ca -0.01 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 2bny s TYR 58 Cb -0.14 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.47 2bny s TYR 58 CO -0.05 0.40 -0.16 0.99 -1.11 0.00 0.00 175.55 175.62 2bny s THR 59 N -0.09 2.27 -0.04 -0.71 2.01 0.19 -1.31 115.64 117.96 2bny s THR 59 Ca 0.18 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.26 2bny s THR 59 Cb -0.14 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 2bny s THR 59 CO 0.06 0.45 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.62 2bny s ILE 60 N 1.29 1.54 0.00 1.82 1.01 -0.04 -1.76 121.20 125.06 2bny s ILE 60 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2bny s ILE 60 Cb -0.14 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2bny s ILE 60 CO -0.11 0.44 -0.06 -0.54 0.00 0.00 0.00 174.94 174.67 2bny s LYS 61 N -0.12 0.51 -0.02 2.79 1.02 -0.21 -0.34 119.74 123.36 2bny s LYS 61 Ca -0.01 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 55.71 2bny s LYS 61 Cb -0.11 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 2bny s LYS 61 CO 0.02 0.12 -0.08 0.08 -0.92 0.00 0.00 175.35 174.57 2bny s VAL 62 N -0.30 0.68 -0.19 3.17 1.01 -0.17 -0.66 120.40 123.93 2bny s VAL 62 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2bny s VAL 62 Cb -0.03 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.76 2bny s VAL 62 CO -0.00 0.21 -0.17 -1.61 0.00 0.00 0.00 175.10 173.53 2bny s GLU 63 N 0.11 3.01 -0.29 2.72 2.02 0.79 -0.84 118.70 126.21 2bny s GLU 63 Ca -0.01 -0.83 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 2bny s GLU 63 Cb -0.07 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2bny s GLU 63 CO 0.00 -0.23 0.07 0.08 0.02 0.00 0.00 175.26 175.20 2bny s VAL 64 N 1.31 3.87 0.32 2.63 1.01 -0.35 -2.48 120.40 126.71 2bny s VAL 64 Ca 0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2bny s VAL 64 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2bny s VAL 64 CO -0.11 0.08 0.58 -2.16 0.00 0.00 0.00 175.10 173.48 2bny s PRO 65 N 1.48 3.60 -0.68 2.72 0.04 -1.26 -0.66 135.00 140.24 2bny s PRO 65 Ca 0.02 -0.02 -0.06 0.00 0.04 0.00 0.00 61.00 60.98 2bny s PRO 65 Cb -0.17 -2.61 0.18 0.00 0.04 0.00 0.00 34.50 31.93 2bny s PRO 65 CO 0.02 0.15 0.53 0.21 0.04 0.00 0.00 177.00 177.96 2bny s LYS 66 N -3.80 2.87 0.39 4.56 2.47 -0.16 -4.98 119.74 121.08 2bny s LYS 66 Ca 0.44 -2.51 -0.28 0.00 -1.56 0.00 0.00 55.97 52.07 2bny s LYS 66 Cb -0.10 -3.94 -0.10 0.00 -1.46 0.00 0.00 37.83 32.22 2bny s LYS 66 CO 0.32 -1.21 1.47 0.14 0.16 0.00 0.00 175.35 176.24 2bny s VAL 67 N 0.01 2.07 0.29 4.02 -7.23 -1.26 0.57 120.40 118.87 2bny s VAL 67 Ca 0.17 0.07 -0.19 0.00 -1.81 0.00 0.00 61.98 60.22 2bny s VAL 67 Cb -0.17 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.74 2bny s VAL 67 CO -0.05 0.02 0.69 0.00 -0.31 0.00 0.00 175.10 175.45 2bny s ALA 68 N -1.14 -1.02 -0.17 1.32 0.00 0.23 -4.71 121.76 116.28 2bny s ALA 68 Ca 0.54 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2bny s ALA 68 Cb -0.46 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2bny s ALA 68 CO 0.62 -1.01 -0.20 0.99 0.00 0.00 0.00 175.76 176.16 2bny s THR 69 N -3.76 2.06 -0.08 0.00 2.01 -1.26 -1.19 115.64 113.42 2bny s THR 69 Ca 0.13 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2bny s THR 69 Cb -0.05 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 2bny s THR 69 CO 0.08 0.54 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.86 2bny s GLN 70 N 1.21 2.83 -1.15 4.92 0.74 -0.73 -4.92 119.66 122.57 2bny s GLN 70 Ca 0.03 -0.64 -0.11 0.00 0.05 0.00 0.00 55.36 54.69 2bny s GLN 70 Cb -0.13 -2.52 0.24 0.00 1.10 0.00 0.00 33.01 31.69 2bny s GLN 70 CO -0.11 0.53 1.23 0.99 -0.55 0.00 0.00 175.29 177.38 2bny s THR 71 N -0.46 5.64 -0.51 -0.34 2.01 -1.26 -0.96 115.64 119.76 2bny s THR 71 Ca 0.06 -3.13 -0.21 0.00 0.31 0.00 0.00 61.69 58.72 2bny s THR 71 Cb -0.12 -4.72 0.05 0.00 0.01 0.00 0.00 72.50 67.72 2bny s THR 71 CO 0.02 -1.35 0.74 -0.69 -0.69 0.00 0.00 174.62 172.64 2bny s VAL 72 N -0.19 4.70 -0.22 3.82 1.01 -0.72 -4.12 120.40 124.68 2bny s VAL 72 Ca 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 2bny s VAL 72 Cb -0.07 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2bny s VAL 72 CO -0.05 -0.89 0.05 0.61 0.00 0.00 0.00 175.10 174.83 2bny n GLY 73 N 5.14 0.42 2.98 4.51 0.00 -1.26 -3.39 105.19 113.58 2bny n GLY 73 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2bny n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bny n GLY 74 N -0.90 2.87 3.56 -0.02 0.00 -1.26 -5.00 105.19 104.44 2bny n GLY 74 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2bny n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bny s VAL 75 N -3.05 4.00 0.02 1.61 1.01 -1.22 -5.05 120.40 117.73 2bny s VAL 75 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2bny s VAL 75 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2bny s VAL 75 CO 0.00 0.53 0.85 -1.61 0.00 0.00 0.00 175.10 174.87 2bny s GLU 76 N -0.09 4.54 -0.00 2.72 2.02 -1.26 -1.76 118.70 124.87 2bny s GLU 76 Ca 0.03 1.20 0.04 0.00 0.02 0.00 0.00 54.97 56.26 2bny s GLU 76 Cb -0.13 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 2bny s GLU 76 CO 0.02 0.13 -0.13 -0.51 0.02 0.00 0.00 175.26 174.79 2bny s LEU 77 N 0.42 2.05 -0.11 1.80 1.43 -0.13 -4.97 118.68 119.18 2bny s LEU 77 Ca 0.44 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2bny s LEU 77 Cb -0.21 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 2bny s LEU 77 CO 0.25 0.14 1.17 -2.16 0.23 0.00 0.00 176.35 175.97 2bny s PRO 78 N -0.45 4.33 0.31 1.29 0.04 -1.26 -1.77 135.00 137.49 2bny s PRO 78 Ca 0.04 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2bny s PRO 78 Cb -0.06 -3.61 -0.00 0.00 0.04 0.00 0.00 34.50 30.87 2bny s PRO 78 CO -0.00 -0.50 0.38 1.55 0.04 0.00 0.00 177.00 178.46 2bny n VAL 79 N 4.84 0.00 -4.45 -0.36 3.14 -0.33 -4.72 118.33 116.45 2bny n VAL 79 Ca 0.11 -1.84 -0.34 0.00 -2.96 0.00 0.00 64.34 59.32 2bny n VAL 79 Cb 0.46 1.04 -0.14 0.00 -1.06 0.00 0.00 33.84 34.14 2bny n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2bny s ALA 80 N -2.88 2.64 0.21 1.55 0.00 -1.25 -0.60 121.76 121.43 2bny s ALA 80 Ca 0.30 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 2bny s ALA 80 Cb 0.00 -1.35 0.18 0.00 0.00 0.00 0.00 23.12 21.95 2bny s ALA 80 CO 0.21 -0.02 1.86 0.00 0.00 0.00 0.00 175.76 177.82 2bny h ALA 81 N 7.26 0.95 -2.26 0.00 0.00 -0.16 -3.46 119.26 121.59 2bny h ALA 81 Ca -0.33 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.73 2bny h ALA 81 Cb 1.19 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2bny h ALA 81 CO 0.58 0.29 0.51 1.67 0.00 0.00 0.00 179.25 182.31 2bny s TRP 82 N -6.12 -0.15 0.04 0.00 1.48 -1.25 -5.02 118.94 107.91 2bny s TRP 82 Ca -0.13 -0.11 0.05 0.00 -1.06 0.00 0.00 56.10 54.85 2bny s TRP 82 Cb 0.15 0.62 -0.02 0.00 -1.16 0.00 0.00 33.47 33.06 2bny s TRP 82 CO 0.77 -0.74 -0.14 1.03 -4.06 0.00 0.00 176.95 173.81 2bny s ARG 83 N -3.19 0.93 -0.13 3.25 0.52 -1.26 -0.99 118.95 118.09 2bny s ARG 83 Ca 0.11 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.48 2bny s ARG 83 Cb -0.01 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 2bny s ARG 83 CO 0.00 0.23 0.02 0.45 0.02 0.00 0.00 175.30 176.02 2bny s SER 84 N -1.24 5.33 -0.15 0.23 0.15 0.17 -4.95 113.70 113.24 2bny s SER 84 Ca 0.01 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.77 2bny s SER 84 Cb -0.08 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2bny s SER 84 CO 0.01 0.28 -0.17 -0.31 1.20 0.00 0.00 173.24 174.26 2bny s TYR 85 N -0.31 2.75 -0.15 3.44 1.51 -1.26 -1.21 117.35 122.13 2bny s TYR 85 Ca 0.07 -1.12 -0.04 0.00 -1.01 0.00 0.00 57.07 54.97 2bny s TYR 85 Cb -0.12 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2bny s TYR 85 CO 0.02 -0.51 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.76 2bny s LEU 86 N 0.81 3.36 -0.11 -1.29 2.96 -0.02 -4.99 118.68 119.40 2bny s LEU 86 Ca -0.06 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2bny s LEU 86 Cb -0.15 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.77 2bny s LEU 86 CO -0.00 0.19 0.05 0.00 -1.32 0.00 0.00 176.35 175.27 2bny s ALA 87 N 0.23 0.52 0.00 5.97 0.00 -1.26 -1.00 121.76 126.21 2bny s ALA 87 Ca -0.01 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2bny s ALA 87 Cb -0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2bny s ALA 87 CO 0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 175.76 174.78 2bny s MET 88 N 2.07 1.64 -0.08 0.00 0.23 0.53 -5.00 119.30 118.68 2bny s MET 88 Ca 0.03 -0.83 0.04 0.00 -1.03 0.00 0.00 55.69 53.91 2bny s MET 88 Cb -0.14 -1.64 -0.00 0.00 -1.53 0.00 0.00 34.83 31.52 2bny s MET 88 CO -0.06 0.44 -0.22 -1.21 -2.03 0.00 0.00 175.02 171.94 2bny s GLU 89 N -0.72 2.61 -0.14 3.16 2.02 -1.26 -0.87 118.70 123.50 2bny s GLU 89 Ca 0.08 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2bny s GLU 89 Cb -0.08 -2.06 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2bny s GLU 89 CO 0.00 0.20 -0.14 -1.17 0.02 0.00 0.00 175.26 174.18 2bny s LEU 90 N 0.25 1.65 -0.23 1.80 2.96 -0.43 -4.98 118.68 119.71 2bny s LEU 90 Ca -0.14 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2bny s LEU 90 Cb -0.16 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2bny s LEU 90 CO 0.06 -0.05 0.04 -0.89 -1.32 0.00 0.00 176.35 174.19 2bny s THR 91 N 1.43 4.09 -0.12 3.68 2.01 -1.26 -0.93 115.64 124.54 2bny s THR 91 Ca 0.03 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2bny s THR 91 Cb -0.13 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.50 2bny s THR 91 CO -0.09 0.38 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 2bny s ILE 92 N 1.43 1.91 0.62 1.82 1.01 -0.10 -4.95 121.20 122.94 2bny s ILE 92 Ca 0.05 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 2bny s ILE 92 Cb -0.15 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2bny s ILE 92 CO 0.02 0.52 1.23 -2.16 0.00 0.00 0.00 174.94 174.56 2bny s PRO 93 N 0.72 2.81 0.57 2.79 0.04 -1.26 -1.68 135.00 139.00 2bny s PRO 93 Ca -0.10 1.89 0.34 0.00 0.04 0.00 0.00 61.00 63.17 2bny s PRO 93 Cb -0.16 -1.90 1.74 0.00 0.04 0.00 0.00 34.50 34.22 2bny s PRO 93 CO 0.01 -1.35 2.15 -0.84 0.04 0.00 0.00 177.00 177.01 2bny h ILE 94 N 0.73 0.30 0.00 0.56 3.07 -1.62 -2.38 117.51 118.16 2bny h ILE 94 Ca -0.50 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.56 2bny h ILE 94 Cb 1.31 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 2bny h ILE 94 CO 0.54 0.05 0.00 0.49 -1.05 0.00 0.00 178.15 178.19 2bny n PHE 95 N -3.40 0.00 -2.29 0.16 3.72 -1.26 -4.79 117.46 109.60 2bny n PHE 95 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2bny n PHE 95 Cb 0.19 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 2bny n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bny s ALA 96 N -2.66 3.51 0.84 4.37 0.00 -0.90 -5.02 121.76 121.90 2bny s ALA 96 Ca 0.15 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 2bny s ALA 96 Cb 0.12 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.82 2bny s ALA 96 CO 0.28 -0.61 1.16 0.99 0.00 0.00 0.00 175.76 177.58 2bny s THR 97 N 1.39 2.07 0.29 0.00 2.01 -1.26 -4.88 115.64 115.26 2bny s THR 97 Ca 0.62 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.66 2bny s THR 97 Cb -0.32 -2.92 0.12 0.00 0.01 0.00 0.00 72.50 69.38 2bny s THR 97 CO 0.29 -0.03 1.80 0.78 -0.69 0.00 0.00 174.62 176.76 2bny h ASN 98 N -1.21 0.59 -0.13 3.53 2.35 -1.99 -1.88 115.58 116.84 2bny h ASN 98 Ca -0.48 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.02 2bny h ASN 98 Cb 1.33 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2bny h ASN 98 CO 0.64 0.70 -0.29 0.77 -1.65 0.00 0.00 177.43 177.60 2bny h SER 99 N 0.58 0.63 0.02 5.81 4.64 -1.99 -1.25 113.55 121.98 2bny h SER 99 Ca 0.11 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 2bny h SER 99 Cb 0.45 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2bny h SER 99 CO 0.02 0.89 -0.14 0.44 -0.87 0.00 0.00 176.83 177.17 2bny h ASP 100 N 0.53 0.24 0.57 4.97 3.32 -1.74 -2.39 116.42 121.91 2bny h ASP 100 Ca 0.07 -0.05 -0.26 0.00 0.02 0.00 0.00 57.03 56.80 2bny h ASP 100 Cb 0.77 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2bny h ASP 100 CO 0.06 0.41 -1.16 0.00 -1.72 0.00 0.00 179.24 176.83 2bny h GLU 102 N 0.11 0.56 -0.50 0.00 5.08 -0.98 -0.82 114.58 118.03 2bny h GLU 102 Ca -0.12 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2bny h GLU 102 Cb 1.86 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.99 2bny h GLU 102 CO 0.19 0.49 0.28 1.25 -1.00 0.00 0.00 179.01 180.21 2bny h LEU 103 N 0.56 0.62 -0.56 1.33 5.85 -1.38 0.44 115.31 122.17 2bny h LEU 103 Ca 0.13 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2bny h LEU 103 Cb 0.15 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2bny h LEU 103 CO -0.01 0.53 0.29 0.40 -0.34 0.00 0.00 178.44 179.31 2bny h ILE 104 N 0.66 1.19 0.46 4.05 2.04 -1.10 -1.52 117.51 123.29 2bny h ILE 104 Ca 0.18 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2bny h ILE 104 Cb 0.04 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2bny h ILE 104 CO -0.03 0.21 -0.22 0.58 0.00 0.00 0.00 178.15 178.69 2bny h VAL 105 N 0.75 0.54 -1.02 1.67 2.07 -0.79 -2.25 116.25 117.21 2bny h VAL 105 Ca 0.19 -0.20 0.25 0.00 0.82 0.00 0.00 66.70 67.76 2bny h VAL 105 Cb 0.07 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 2bny h VAL 105 CO -0.03 0.04 0.64 0.11 0.02 0.00 0.00 177.57 178.35 2bny h LYS 106 N -0.73 0.46 -0.27 1.57 1.57 -0.80 -0.49 116.57 117.88 2bny h LYS 106 Ca -0.06 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2bny h LYS 106 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2bny h LYS 106 CO 0.10 0.30 -0.05 0.00 -0.57 0.00 0.00 179.45 179.23 2bny h ALA 107 N 1.64 0.37 -0.40 3.86 0.00 -0.99 -1.00 119.26 122.73 2bny h ALA 107 Ca 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2bny h ALA 107 Cb 1.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2bny h ALA 107 CO -0.32 0.16 0.11 0.52 0.00 0.00 0.00 179.25 179.72 2bny h MET 108 N 0.27 0.59 -0.24 0.00 2.86 -0.55 0.70 114.93 118.56 2bny h MET 108 Ca 0.07 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2bny h MET 108 Cb 0.52 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2bny h MET 108 CO 0.02 0.54 -0.16 1.96 1.06 0.00 0.00 176.91 180.33 2bny h GLN 109 N 0.58 0.54 -0.14 1.72 4.20 -1.07 -2.90 115.11 118.04 2bny h GLN 109 Ca 0.14 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 2bny h GLN 109 Cb 0.21 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2bny h GLN 109 CO -0.01 0.82 -0.21 0.78 -0.67 0.00 0.00 178.83 179.55 2bny h GLY 110 N 0.25 0.26 0.75 3.46 0.00 -0.75 -2.18 103.07 104.86 2bny h GLY 110 Ca 0.05 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.24 2bny h GLY 110 CO 0.04 0.17 0.37 -2.00 0.00 0.00 0.00 176.54 175.12 2bny h LEU 111 N 0.22 0.57 -2.35 3.11 5.85 -0.68 -2.98 115.31 119.06 2bny h LEU 111 Ca 0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2bny h LEU 111 Cb 0.50 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2bny h LEU 111 CO 0.03 0.38 0.00 0.18 -0.34 0.00 0.00 178.44 178.70 2bny n LEU 112 N -4.76 3.46 -4.78 2.25 4.77 -1.04 -4.45 117.00 112.44 2bny n LEU 112 Ca 0.07 -1.62 -0.41 0.00 -0.03 0.00 0.00 56.01 54.03 2bny n LEU 112 Cb 0.14 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2bny n LEU 112 CO 0.30 0.81 1.11 -0.75 -1.33 0.00 0.00 177.39 177.53 2bny s LYS 113 N -1.30 4.14 0.25 3.23 2.20 -0.85 -4.83 119.74 122.58 2bny s LYS 113 Ca 0.42 2.50 -0.30 0.00 -0.36 0.00 0.00 55.97 58.23 2bny s LYS 113 Cb 0.23 -2.97 -0.14 0.00 -1.51 0.00 0.00 37.83 33.44 2bny s LYS 113 CO 0.31 -0.48 1.21 -0.25 -0.36 0.00 0.00 175.35 175.78 2bny n ASP 114 N 0.49 1.99 0.00 1.43 8.00 -1.26 -2.17 116.55 125.04 2bny n ASP 114 Ca 0.01 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.67 2bny n ASP 114 Cb 0.40 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2bny n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bny n GLY 115 N 1.63 3.26 3.81 0.44 0.00 -1.26 -5.05 105.19 108.02 2bny n GLY 115 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2bny n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bny s ASN 116 N -0.74 5.71 0.02 1.61 0.01 -0.92 -4.84 114.94 115.79 2bny s ASN 116 Ca 0.00 1.76 -0.04 0.00 -0.71 0.00 0.00 52.86 53.87 2bny s ASN 116 Cb 0.00 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 2bny s ASN 116 CO 0.00 -1.22 0.90 -2.65 -1.51 0.00 0.00 177.10 172.63 2bny n PRO 117 N -2.28 -0.06 0.15 -0.60 -0.02 -1.26 -1.95 135.00 128.98 2bny n PRO 117 Ca 0.08 0.90 -0.14 0.00 -2.02 0.00 0.00 63.50 62.32 2bny n PRO 117 Cb 0.53 -1.34 -0.07 0.00 -0.02 0.00 0.00 33.50 32.60 2bny n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bny h ILE 118 N 0.00 0.22 -0.03 4.25 2.04 -1.94 -1.22 117.51 120.82 2bny h ILE 118 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2bny h ILE 118 Cb 0.06 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2bny h ILE 118 CO -0.13 0.00 -0.04 1.55 0.00 0.00 0.00 178.15 179.53 2bny h PRO 119 N -0.66 0.05 -0.39 2.37 0.13 -1.76 -1.72 132.00 130.02 2bny h PRO 119 Ca 0.01 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2bny h PRO 119 Cb 0.66 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 2bny h PRO 119 CO -0.18 0.09 0.23 0.77 -0.23 0.00 0.00 178.00 178.69 2bny h SER 120 N 0.05 0.47 -0.05 1.44 0.02 -0.70 -1.60 113.55 113.17 2bny h SER 120 Ca 0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2bny h SER 120 Cb 0.10 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2bny h SER 120 CO 0.01 0.39 0.01 0.00 -1.14 0.00 0.00 176.83 176.09 2bny h ALA 121 N 1.10 0.07 -0.41 3.77 0.00 -0.67 -2.57 119.26 120.55 2bny h ALA 121 Ca 0.14 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2bny h ALA 121 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2bny h ALA 121 CO -0.03 -0.29 0.12 0.82 0.00 0.00 0.00 179.25 179.87 2bny h ILE 122 N -0.16 0.84 0.00 0.00 2.04 -1.24 -0.89 117.51 118.11 2bny h ILE 122 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2bny h ILE 122 Cb 0.27 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2bny h ILE 122 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2bny n ALA 123 N -2.40 1.67 0.64 1.87 0.00 -0.61 -2.41 120.51 119.27 2bny n ALA 123 Ca 0.03 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2bny n ALA 123 Cb 0.17 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.38 2bny n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bny n ALA 124 N -1.62 2.47 -3.46 0.00 0.00 -0.44 -4.99 120.51 112.47 2bny n ALA 124 Ca 0.03 -0.63 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 2bny n ALA 124 Cb 0.20 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.21 2bny n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bny n ASN 125 N 0.87 -4.42 -3.44 0.00 3.02 -0.61 -5.00 115.26 105.68 2bny n ASN 125 Ca 0.09 -0.54 -0.18 0.00 -0.03 0.00 0.00 54.58 53.92 2bny n ASN 125 Cb 0.39 -4.84 -0.08 0.00 -0.61 0.00 0.00 39.78 34.64 2bny n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bny s SER 126 N -3.72 1.38 0.00 6.41 1.04 -0.85 -5.06 113.70 112.90 2bny s SER 126 Ca 0.32 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2bny s SER 126 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2bny s SER 126 CO 0.69 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2bny n GLY 127 N -0.57 2.08 3.72 7.32 0.00 -1.26 -4.37 105.19 112.10 2bny n GLY 127 Ca 0.06 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 2bny n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bny s ILE 128 N 1.14 5.33 0.00 -0.61 1.09 -1.26 -4.83 121.20 122.05 2bny s ILE 128 Ca 0.00 0.45 0.00 0.00 -1.10 0.00 0.00 60.65 60.00 2bny s ILE 128 Cb 0.00 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 2bny s ILE 128 CO 0.00 0.39 0.00 0.00 -0.10 0.00 0.00 174.94 175.23