#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bny n SER 2 N 0.00 0.00 -0.08 0.00 2.88 -1.26 -5.04 113.62 110.12 2bny n SER 2 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2bny n SER 2 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2bny n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bny n ASN 3 N 0.00 0.69 -3.54 -3.46 2.04 -1.26 -4.64 115.26 105.09 2bny n ASN 3 Ca 0.00 -0.48 -0.39 0.00 -0.44 0.00 0.00 54.58 53.27 2bny n ASN 3 Cb 0.00 0.24 -0.02 0.00 -2.53 0.00 0.00 39.78 37.47 2bny n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2bny n PHE 4 N -1.23 2.52 -4.58 -2.53 7.35 -1.26 -4.85 117.46 112.87 2bny n PHE 4 Ca 0.07 -2.50 -0.27 0.00 -0.76 0.00 0.00 57.45 54.00 2bny n PHE 4 Cb 0.34 -2.16 -0.11 0.00 0.35 0.00 0.00 39.48 37.90 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 3.59 2.10 0.52 -2.13 -4.23 -1.26 -4.88 115.64 109.34 2bny s THR 5 Ca 0.53 -2.10 -0.20 0.00 -1.18 0.00 0.00 61.69 58.74 2bny s THR 5 Cb 0.14 -2.82 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 2bny s THR 5 CO -0.01 -0.10 1.08 -1.58 -0.54 0.00 0.00 174.62 173.46 2bny s GLN 6 N -3.67 3.57 0.22 3.99 0.74 -1.26 -4.73 119.66 118.53 2bny s GLN 6 Ca 0.34 1.45 -0.12 0.00 0.05 0.00 0.00 55.36 57.08 2bny s GLN 6 Cb 0.06 -2.05 -0.00 0.00 1.10 0.00 0.00 33.01 32.12 2bny s GLN 6 CO 0.17 -0.64 0.42 -0.59 -0.55 0.00 0.00 175.29 174.11 2bny s PHE 7 N -1.94 0.35 -0.35 1.67 -0.71 -0.62 -5.01 117.98 111.38 2bny s PHE 7 Ca 0.69 -0.70 -0.23 0.00 -1.04 0.00 0.00 56.93 55.65 2bny s PHE 7 Cb -0.19 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.74 2bny s PHE 7 CO 0.24 -0.90 0.75 0.08 -1.34 0.00 0.00 175.22 174.05 2bny s VAL 8 N -4.00 4.78 -0.16 -2.49 1.01 -1.26 -0.77 120.40 117.51 2bny s VAL 8 Ca 0.20 0.90 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 2bny s VAL 8 Cb 0.01 -4.16 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 2bny s VAL 8 CO 0.06 -0.36 0.56 0.25 0.00 0.00 0.00 175.10 175.61 2bny h LEU 9 N 9.59 0.00 -8.38 3.92 5.85 -1.34 -3.44 115.31 121.51 2bny h LEU 9 Ca -0.25 -0.80 -0.67 0.00 0.84 0.00 0.00 57.88 57.00 2bny h LEU 9 Cb 1.10 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.86 2bny h LEU 9 CO 0.89 1.10 -0.67 -0.69 -0.34 0.00 0.00 178.44 178.74 2bny s VAL 10 N -2.23 3.69 -0.45 1.05 1.01 -1.03 -4.99 120.40 117.46 2bny s VAL 10 Ca -0.21 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 2bny s VAL 10 Cb -0.00 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2bny s VAL 10 CO 0.62 0.21 0.40 -0.62 0.00 0.00 0.00 175.10 175.71 2bny s ASP 11 N 1.48 6.15 -0.16 3.32 -1.08 -1.26 -1.00 116.67 124.12 2bny s ASP 11 Ca 0.03 -1.03 0.16 0.00 -0.52 0.00 0.00 52.55 51.19 2bny s ASP 11 Cb -0.16 -2.20 0.54 0.00 -1.46 0.00 0.00 42.92 39.64 2bny s ASP 11 CO 0.00 -0.60 1.45 0.59 0.52 0.00 0.00 175.17 177.13 2bny n ASN 12 N 5.37 4.00 -2.30 -0.34 3.02 -1.26 -4.98 115.26 118.77 2bny n ASN 12 Ca -0.10 -2.83 -0.02 0.00 -0.03 0.00 0.00 54.58 51.59 2bny n ASN 12 Cb 0.46 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.15 -0.58 5.00 7.41 0.00 -1.26 -4.16 105.19 111.46 2bny n GLY 13 Ca 0.21 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.38 0.98 3.56 -0.02 0.00 -1.26 -4.86 105.19 102.22 2bny n GLY 14 Ca -0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2bny n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bny s THR 15 N 0.00 4.06 0.00 2.61 2.01 -1.26 -3.57 115.64 119.50 2bny s THR 15 Ca 0.00 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.68 2bny s THR 15 Cb 0.00 -4.71 0.00 0.00 0.01 0.00 0.00 72.50 67.80 2bny s THR 15 CO 0.00 -1.36 0.00 0.61 -0.69 0.00 0.00 174.62 173.18 2bny n GLY 16 N 5.12 0.75 3.75 4.40 0.00 -1.26 -4.72 105.19 113.23 2bny n GLY 16 Ca 0.06 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.27 5.44 -0.29 1.61 1.11 -1.23 -4.69 116.67 116.35 2bny s ASP 17 Ca 0.00 2.62 -0.05 0.00 0.18 0.00 0.00 52.55 55.29 2bny s ASP 17 Cb 0.00 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.38 2bny s ASP 17 CO 0.00 -1.44 0.04 -0.69 1.18 0.00 0.00 175.17 174.26 2bny s VAL 18 N -1.39 3.64 -0.16 -1.27 1.01 -0.17 -5.00 120.40 117.07 2bny s VAL 18 Ca 0.71 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2bny s VAL 18 Cb -0.37 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2bny s VAL 18 CO 0.43 0.09 0.05 -0.89 0.00 0.00 0.00 175.10 174.78 2bny s THR 19 N 1.44 4.67 0.06 3.92 2.01 -1.26 -0.85 115.64 125.63 2bny s THR 19 Ca 0.01 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2bny s THR 19 Cb -0.17 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2bny s THR 19 CO 0.01 0.51 -0.02 0.54 -0.69 0.00 0.00 174.62 174.96 2bny s VAL 20 N 0.01 3.90 0.05 3.82 0.11 0.05 -4.48 120.40 123.86 2bny s VAL 20 Ca 0.05 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 2bny s VAL 20 Cb -0.12 -2.80 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 2bny s VAL 20 CO 0.01 0.22 0.04 0.00 -3.33 0.00 0.00 175.10 172.04 2bny s ALA 21 N -1.20 0.20 0.02 1.54 0.00 -0.84 -1.59 121.76 119.88 2bny s ALA 21 Ca 0.22 -0.87 -0.38 0.00 0.00 0.00 0.00 51.96 50.94 2bny s ALA 21 Cb -0.11 0.29 -0.17 0.00 0.00 0.00 0.00 23.12 23.12 2bny s ALA 21 CO 0.14 -0.36 1.36 -2.30 0.00 0.00 0.00 175.76 174.60 2bny n PRO 22 N 0.41 0.98 0.00 0.00 -0.02 -1.26 -1.09 135.00 134.03 2bny n PRO 22 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2bny n PRO 22 Cb 0.60 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.75 0.21 -3.56 2.55 3.41 0.12 -4.83 113.62 114.27 2bny n SER 23 Ca 0.20 -0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 2bny n SER 23 Cb 0.17 0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.17 -0.40 0.00 4.04 3.84 -1.20 -4.99 114.94 116.06 2bny s ASN 24 Ca 0.00 0.37 0.13 0.00 0.21 0.00 0.00 52.86 53.58 2bny s ASN 24 Cb 0.00 0.34 0.22 0.00 -0.55 0.00 0.00 41.25 41.26 2bny s ASN 24 CO 0.00 -0.41 1.05 0.33 -2.79 0.00 0.00 177.10 175.27 2bny n PHE 25 N 0.59 0.00 -2.16 0.43 7.35 -1.26 -1.25 117.46 121.16 2bny n PHE 25 Ca -0.11 -0.34 -0.42 0.00 -0.76 0.00 0.00 57.45 55.81 2bny n PHE 25 Cb 0.58 0.02 -0.03 0.00 0.35 0.00 0.00 39.48 40.40 2bny n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bny s ALA 26 N 0.00 3.63 -0.69 3.13 0.00 -1.25 -3.09 121.76 123.49 2bny s ALA 26 Ca 0.18 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2bny s ALA 26 Cb 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2bny s ALA 26 CO -0.09 -1.24 0.00 0.09 0.00 0.00 0.00 175.76 174.52 2bny n ASN 27 N 6.64 -3.04 0.00 0.00 3.02 -1.26 -2.96 115.26 117.66 2bny n ASN 27 Ca 0.16 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2bny n ASN 27 Cb 0.43 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.48 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 -1.22 1.28 3.46 7.41 0.00 -1.18 -4.96 105.19 109.98 2bny n GLY 28 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.19 4.52 0.31 1.61 1.01 -1.16 -4.72 120.40 118.79 2bny s VAL 29 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2bny s VAL 29 Cb 0.00 -4.54 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 2bny s VAL 29 CO 0.00 -1.20 1.12 0.00 0.00 0.00 0.00 175.10 175.02 2bny s ALA 30 N 3.54 3.34 0.01 5.51 0.00 -1.00 -3.82 121.76 129.34 2bny s ALA 30 Ca 0.21 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.11 2bny s ALA 30 Cb -0.17 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2bny s ALA 30 CO 0.12 -0.26 -0.08 -2.00 0.00 0.00 0.00 175.76 173.55 2bny s GLU 31 N -1.72 0.56 0.00 0.00 2.12 -0.38 -1.68 118.70 117.61 2bny s GLU 31 Ca 0.48 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.40 2bny s GLU 31 Cb -0.31 -0.49 -0.01 0.00 0.26 0.00 0.00 34.13 33.58 2bny s GLU 31 CO 0.40 0.12 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.55 2bny s TRP 32 N -0.61 1.04 0.04 5.30 0.51 0.53 -0.71 118.94 125.05 2bny s TRP 32 Ca -0.01 -0.23 -0.05 0.00 -2.12 0.00 0.00 56.10 53.68 2bny s TRP 32 Cb -0.05 -0.65 -0.01 0.00 -0.81 0.00 0.00 33.47 31.94 2bny s TRP 32 CO 0.00 -0.01 0.08 0.96 -0.51 0.00 0.00 176.95 177.47 2bny s ILE 33 N -0.41 0.14 0.80 2.03 -4.36 -0.25 -0.94 121.20 118.20 2bny s ILE 33 Ca 0.03 -1.15 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 2bny s ILE 33 Cb -0.05 -0.93 0.08 0.00 1.25 0.00 0.00 42.46 42.81 2bny s ILE 33 CO -0.00 -0.64 1.15 -0.94 0.24 0.00 0.00 174.94 174.76 2bny s SER 34 N -2.19 4.47 -1.36 4.36 1.04 -0.62 -1.99 113.70 117.41 2bny s SER 34 Ca -0.04 0.67 -0.16 0.00 0.48 0.00 0.00 55.95 56.91 2bny s SER 34 Cb -0.01 -1.17 0.07 0.00 0.10 0.00 0.00 66.02 65.02 2bny s SER 34 CO -0.05 -1.90 1.92 -0.24 0.98 0.00 0.00 173.24 173.95 2bny n SER 35 N -3.27 4.54 -3.30 7.02 2.88 -1.26 -4.75 113.62 115.49 2bny n SER 35 Ca 0.09 -2.90 -0.15 0.00 -1.33 0.00 0.00 58.87 54.57 2bny n SER 35 Cb 0.61 -1.69 -0.05 0.00 -0.75 0.00 0.00 64.21 62.33 2bny n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2bny s ASN 36 N 3.58 0.99 0.36 -3.46 0.01 -1.26 -5.06 114.94 110.09 2bny s ASN 36 Ca 0.50 -1.51 -0.26 0.00 -0.71 0.00 0.00 52.86 50.88 2bny s ASN 36 Cb 0.08 0.64 -0.09 0.00 0.41 0.00 0.00 41.25 42.29 2bny s ASN 36 CO 0.00 -1.25 1.11 -0.94 -1.51 0.00 0.00 177.10 174.52 2bny s SER 37 N -3.25 6.83 0.66 -1.22 1.04 -1.26 -4.74 113.70 111.76 2bny s SER 37 Ca 0.32 2.23 0.35 0.00 0.48 0.00 0.00 55.95 59.33 2bny s SER 37 Cb 0.00 -2.61 1.92 0.00 0.10 0.00 0.00 66.02 65.43 2bny s SER 37 CO 0.21 -0.45 2.11 0.03 0.98 0.00 0.00 173.24 176.11 2bny h ARG 38 N 2.96 0.00 0.00 4.02 3.08 -1.96 0.30 114.38 122.79 2bny h ARG 38 Ca -0.48 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.41 2bny h ARG 38 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2bny h ARG 38 CO 0.64 0.00 -0.74 0.66 -1.07 0.00 0.00 179.97 179.46 2bny h SER 39 N 0.00 0.00 -0.25 7.04 4.64 -1.98 -3.28 113.55 119.71 2bny h SER 39 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2bny h SER 39 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2bny h SER 39 CO -0.00 0.74 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 2bny n GLN 40 N -3.63 2.53 -2.09 4.77 6.02 0.82 -4.99 117.38 120.80 2bny n GLN 40 Ca -0.01 -1.83 -0.28 0.00 -0.01 0.00 0.00 57.00 54.87 2bny n GLN 40 Cb 0.73 -1.22 0.05 0.00 1.02 0.00 0.00 30.24 30.82 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 -0.97 3.02 -0.23 -1.58 0.00 0.17 -4.74 121.76 117.43 2bny s ALA 41 Ca 0.18 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 2bny s ALA 41 Cb 0.10 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2bny s ALA 41 CO 0.13 -1.14 0.26 0.71 0.00 0.00 0.00 175.76 175.71 2bny s TYR 42 N -3.26 3.33 0.01 0.00 1.51 -1.26 -4.37 117.35 113.31 2bny s TYR 42 Ca 0.58 0.37 0.08 0.00 -1.01 0.00 0.00 57.07 57.09 2bny s TYR 42 Cb -0.11 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 2bny s TYR 42 CO 0.48 0.01 -0.24 0.21 -1.11 0.00 0.00 175.55 174.90 2bny s LYS 43 N 1.23 2.01 -0.04 -0.62 2.20 -0.95 -1.59 119.74 121.98 2bny s LYS 43 Ca 0.12 -0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 54.73 2bny s LYS 43 Cb -0.14 -2.06 0.03 0.00 -1.51 0.00 0.00 37.83 34.15 2bny s LYS 43 CO 0.06 0.54 0.02 0.08 -0.36 0.00 0.00 175.35 175.69 2bny s VAL 44 N -0.73 0.10 0.15 4.02 1.01 -0.12 -1.00 120.40 123.84 2bny s VAL 44 Ca 0.11 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2bny s VAL 44 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2bny s VAL 44 CO 0.01 0.16 -0.16 0.42 0.00 0.00 0.00 175.10 175.54 2bny s THR 45 N 1.46 1.58 -0.27 3.92 -4.23 -0.37 -0.34 115.64 117.38 2bny s THR 45 Ca -0.04 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 2bny s THR 45 Cb -0.13 -1.75 0.08 0.00 1.34 0.00 0.00 72.50 72.04 2bny s THR 45 CO -0.03 -0.42 0.75 0.00 -0.54 0.00 0.00 174.62 174.38 2bny s SER 47 N 0.69 -0.05 -0.00 0.00 1.04 -0.70 -2.39 113.70 112.30 2bny s SER 47 Ca -0.02 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.86 2bny s SER 47 Cb -0.05 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2bny s SER 47 CO -0.05 -0.83 -0.08 -0.69 0.98 0.00 0.00 173.24 172.56 2bny s VAL 48 N -3.87 0.66 0.11 5.02 1.01 -1.26 -1.13 120.40 120.95 2bny s VAL 48 Ca 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2bny s VAL 48 Cb 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2bny s VAL 48 CO -0.08 0.13 0.31 0.00 0.00 0.00 0.00 175.10 175.46 2bny s ARG 49 N -0.34 0.99 -0.66 2.72 1.70 -1.06 -5.00 118.95 117.31 2bny s ARG 49 Ca 0.02 -0.84 -0.20 0.00 -0.47 0.00 0.00 55.73 54.24 2bny s ARG 49 Cb -0.04 0.41 0.10 0.00 -0.57 0.00 0.00 34.95 34.86 2bny s ARG 49 CO -0.00 -0.36 0.82 -1.14 -1.08 0.00 0.00 175.30 173.54 2bny s GLN 50 N -3.84 3.15 0.54 3.89 0.74 -1.26 -0.47 119.66 122.40 2bny s GLN 50 Ca 0.05 -1.30 0.20 0.00 0.05 0.00 0.00 55.36 54.35 2bny s GLN 50 Cb 0.03 -4.34 1.39 0.00 1.10 0.00 0.00 33.01 31.19 2bny s GLN 50 CO -0.11 -1.63 2.14 0.66 -0.55 0.00 0.00 175.29 175.81 2bny h SER 51 N 9.18 0.00 -5.11 6.67 4.64 -1.75 -3.46 113.55 123.71 2bny h SER 51 Ca -0.22 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2bny h SER 51 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2bny h SER 51 CO 1.11 0.00 0.36 -0.94 -0.87 0.00 0.00 176.83 176.48 2bny s SER 52 N -6.76 0.01 0.24 4.97 1.04 -1.11 -5.00 113.70 107.08 2bny s SER 52 Ca -0.05 -1.02 -0.16 0.00 0.48 0.00 0.00 55.95 55.20 2bny s SER 52 Cb 0.17 0.76 0.28 0.00 0.10 0.00 0.00 66.02 67.33 2bny s SER 52 CO 0.65 -1.51 1.55 0.00 0.98 0.00 0.00 173.24 174.92 2bny h ALA 53 N 2.00 0.26 -0.04 5.32 0.00 -2.04 -2.71 119.26 122.04 2bny h ALA 53 Ca -0.31 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2bny h ALA 53 Cb 1.24 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.97 2bny h ALA 53 CO 0.39 -0.58 -0.50 0.00 0.00 0.00 0.00 179.25 178.57 2bny n GLN 54 N -5.50 1.69 -3.84 0.00 -0.00 -1.26 -4.96 117.38 103.51 2bny n GLN 54 Ca 0.11 -3.35 -0.12 0.00 -0.00 0.00 0.00 57.00 53.64 2bny n GLN 54 Cb 0.42 -1.65 -0.13 0.00 -0.00 0.00 0.00 30.24 28.87 2bny n GLN 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2bny s ASN 55 N -3.24 -0.08 0.18 2.61 0.01 -1.02 -2.06 114.94 111.33 2bny s ASN 55 Ca 0.39 0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.78 2bny s ASN 55 Cb 0.37 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 42.15 2bny s ASN 55 CO -0.06 -0.04 -0.08 -0.13 -1.51 0.00 0.00 177.10 175.29 2bny s ARG 56 N 0.12 2.14 -0.09 -0.60 0.52 -0.10 -2.24 118.95 118.69 2bny s ARG 56 Ca -0.01 -1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 53.94 2bny s ARG 56 Cb -0.01 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.30 2bny s ARG 56 CO -0.00 0.44 0.19 0.21 0.02 0.00 0.00 175.30 176.16 2bny s LYS 57 N -2.83 0.07 -0.04 3.54 2.20 0.38 -0.76 119.74 122.32 2bny s LYS 57 Ca 0.25 0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 56.26 2bny s LYS 57 Cb -0.09 -0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 35.98 2bny s LYS 57 CO 0.16 -0.28 0.52 0.71 -0.36 0.00 0.00 175.35 176.10 2bny s TYR 58 N 2.15 3.64 -0.20 4.03 1.51 0.34 -2.55 117.35 126.27 2bny s TYR 58 Ca 0.01 1.06 0.01 0.00 -1.01 0.00 0.00 57.07 57.14 2bny s TYR 58 Cb -0.12 -2.52 0.03 0.00 -0.11 0.00 0.00 41.96 39.23 2bny s TYR 58 CO -0.07 0.36 -0.16 0.99 -1.11 0.00 0.00 175.55 175.56 2bny s THR 59 N -0.13 2.23 -0.05 -0.71 2.01 -0.29 -0.64 115.64 118.07 2bny s THR 59 Ca 0.28 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2bny s THR 59 Cb -0.17 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2bny s THR 59 CO 0.14 0.40 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 2bny s ILE 60 N 1.27 2.18 -0.01 1.82 1.01 0.13 -1.73 121.20 125.88 2bny s ILE 60 Ca 0.02 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.67 2bny s ILE 60 Cb -0.15 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 2bny s ILE 60 CO -0.10 0.57 -0.09 -0.54 0.00 0.00 0.00 174.94 174.78 2bny s LYS 61 N -0.30 0.76 0.01 2.79 1.02 -0.55 0.13 119.74 123.60 2bny s LYS 61 Ca 0.01 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.71 2bny s LYS 61 Cb -0.13 -0.73 -0.01 0.00 -0.52 0.00 0.00 37.83 36.44 2bny s LYS 61 CO 0.02 0.19 -0.11 0.08 -0.92 0.00 0.00 175.35 174.61 2bny s VAL 62 N -0.17 0.86 -0.11 3.17 1.01 0.28 -1.24 120.40 124.20 2bny s VAL 62 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2bny s VAL 62 Cb -0.04 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2bny s VAL 62 CO -0.00 0.10 -0.15 -1.61 0.00 0.00 0.00 175.10 173.44 2bny s GLU 63 N -0.62 2.16 -0.12 2.72 2.02 -0.17 0.26 118.70 124.95 2bny s GLU 63 Ca 0.02 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.50 2bny s GLU 63 Cb -0.06 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.33 2bny s GLU 63 CO 0.00 -0.08 -0.20 0.08 0.02 0.00 0.00 175.26 175.08 2bny s VAL 64 N 1.03 1.86 0.31 2.63 1.01 -0.25 -2.24 120.40 124.76 2bny s VAL 64 Ca -0.06 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 2bny s VAL 64 Cb -0.15 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 2bny s VAL 64 CO -0.02 0.51 1.05 -2.16 0.00 0.00 0.00 175.10 174.48 2bny s PRO 65 N 0.77 4.54 -0.09 2.72 0.04 -1.26 -0.70 135.00 141.02 2bny s PRO 65 Ca -0.09 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2bny s PRO 65 Cb -0.16 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2bny s PRO 65 CO 0.00 0.17 1.21 0.21 0.04 0.00 0.00 177.00 178.63 2bny s LYS 66 N -1.72 4.31 -0.20 4.56 2.20 -0.05 -4.92 119.74 123.93 2bny s LYS 66 Ca 0.48 1.66 0.13 0.00 -0.36 0.00 0.00 55.97 57.88 2bny s LYS 66 Cb -0.28 -3.62 -0.23 0.00 -1.51 0.00 0.00 37.83 32.19 2bny s LYS 66 CO 0.35 -0.53 0.07 0.28 -0.36 0.00 0.00 175.35 175.16 2bny n VAL 67 N 4.86 1.44 -1.69 4.02 0.31 -1.26 -4.65 118.33 121.36 2bny n VAL 67 Ca 0.12 -0.79 -0.44 0.00 -0.01 0.00 0.00 64.34 63.22 2bny n VAL 67 Cb 0.46 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 2bny n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bny n ALA 68 N -2.85 1.97 -1.29 3.52 0.00 -1.26 -1.24 120.51 119.36 2bny n ALA 68 Ca -0.34 0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2bny n ALA 68 Cb 1.11 -2.54 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 2bny n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bny n THR 69 N 4.51 0.00 -2.20 0.00 -2.24 -1.26 -4.98 114.28 108.10 2bny n THR 69 Ca 0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 2bny n THR 69 Cb 0.35 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2bny n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2bny s GLN 70 N -2.68 3.46 -0.36 -0.78 0.74 -0.37 -5.02 119.66 114.65 2bny s GLN 70 Ca 0.00 1.73 -0.01 0.00 0.05 0.00 0.00 55.36 57.13 2bny s GLN 70 Cb 0.00 -2.17 0.09 0.00 1.10 0.00 0.00 33.01 32.03 2bny s GLN 70 CO 0.00 -0.79 0.11 0.99 -0.55 0.00 0.00 175.29 175.04 2bny s THR 71 N -1.64 2.97 -0.11 -0.34 2.01 -1.26 -5.07 115.64 112.21 2bny s THR 71 Ca 0.70 -1.91 -0.37 0.00 0.31 0.00 0.00 61.69 60.42 2bny s THR 71 Cb -0.27 -2.96 -0.14 0.00 0.01 0.00 0.00 72.50 69.13 2bny s THR 71 CO 0.32 -0.49 1.72 0.52 -0.69 0.00 0.00 174.62 176.00 2bny n VAL 72 N 4.53 0.33 -0.95 3.82 0.31 -1.26 -0.52 118.33 124.59 2bny n VAL 72 Ca -0.04 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2bny n VAL 72 Cb 0.42 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2bny n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bny n GLY 73 N 3.95 0.58 3.95 2.92 0.00 -1.26 -5.01 105.19 110.31 2bny n GLY 73 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 2bny n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bny s GLY 74 N -2.00 1.72 -0.46 -0.02 0.00 0.32 -5.05 107.32 101.84 2bny s GLY 74 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 2bny s GLY 74 CO 0.00 -0.72 0.53 0.14 0.00 0.00 0.00 173.10 173.05 2bny s VAL 75 N -3.01 4.99 -0.27 1.40 1.01 -1.26 -4.99 120.40 118.27 2bny s VAL 75 Ca 0.58 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 2bny s VAL 75 Cb -0.11 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2bny s VAL 75 CO 0.42 -0.60 -0.05 -1.61 0.00 0.00 0.00 175.10 173.27 2bny s GLU 76 N 2.35 2.61 0.15 2.72 2.02 -1.26 -5.10 118.70 122.18 2bny s GLU 76 Ca 0.14 -1.13 0.10 0.00 0.02 0.00 0.00 54.97 54.09 2bny s GLU 76 Cb -0.18 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2bny s GLU 76 CO 0.13 -0.50 -0.21 -0.51 0.02 0.00 0.00 175.26 174.19 2bny s LEU 77 N 1.27 2.58 0.34 1.80 2.01 -1.26 -4.09 118.68 121.33 2bny s LEU 77 Ca -0.03 -0.68 -0.20 0.00 0.01 0.00 0.00 54.13 53.23 2bny s LEU 77 Cb -0.18 -1.39 -0.10 0.00 0.01 0.00 0.00 46.19 44.53 2bny s LEU 77 CO -0.03 0.16 0.85 -2.16 1.01 0.00 0.00 176.35 176.17 2bny s PRO 78 N -2.33 4.24 0.29 1.29 0.04 -1.26 -5.01 135.00 132.26 2bny s PRO 78 Ca 0.18 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2bny s PRO 78 Cb -0.10 -2.49 0.68 0.00 0.04 0.00 0.00 34.50 32.63 2bny s PRO 78 CO 0.10 0.16 1.78 0.28 0.04 0.00 0.00 177.00 179.35 2bny h VAL 79 N 2.20 0.73 0.00 -0.36 2.07 -2.00 -0.76 116.25 118.14 2bny h VAL 79 Ca -0.48 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2bny h VAL 79 Cb 1.18 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2bny h VAL 79 CO 0.64 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 178.36 2bny h ALA 80 N 1.62 1.28 0.00 1.67 0.00 -1.93 -1.87 119.26 120.03 2bny h ALA 80 Ca 0.55 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 2bny h ALA 80 Cb 0.81 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2bny h ALA 80 CO -0.37 0.01 -0.61 0.00 0.00 0.00 0.00 179.25 178.28 2bny h ALA 81 N 1.99 0.71 -0.48 0.00 0.00 -1.53 -3.34 119.26 116.62 2bny h ALA 81 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bny h ALA 81 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bny h ALA 81 CO 0.00 0.51 0.00 0.91 0.00 0.00 0.00 179.25 180.67 2bny n TRP 82 N -3.10 1.02 -3.83 0.00 7.02 -0.71 -4.92 117.44 112.93 2bny n TRP 82 Ca 0.00 -0.62 -0.12 0.00 -1.02 0.00 0.00 57.50 55.74 2bny n TRP 82 Cb 0.70 -0.17 -0.11 0.00 -2.42 0.00 0.00 31.31 29.31 2bny n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2bny s ARG 83 N -1.73 0.36 -0.04 -0.99 0.52 -1.15 -0.87 118.95 115.05 2bny s ARG 83 Ca 0.40 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 2bny s ARG 83 Cb 0.26 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.86 2bny s ARG 83 CO 0.19 -0.07 -0.11 -1.12 0.02 0.00 0.00 175.30 174.21 2bny s SER 84 N -0.57 4.34 -0.10 0.23 0.01 0.13 -4.90 113.70 112.85 2bny s SER 84 Ca -0.07 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.08 2bny s SER 84 Cb -0.04 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.21 2bny s SER 84 CO 0.01 0.33 -0.20 -0.31 0.41 0.00 0.00 173.24 173.48 2bny s TYR 85 N -0.82 2.27 -0.09 2.43 1.51 -1.26 -1.09 117.35 120.29 2bny s TYR 85 Ca 0.13 -0.95 0.01 0.00 -1.01 0.00 0.00 57.07 55.25 2bny s TYR 85 Cb -0.11 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 2bny s TYR 85 CO 0.03 -0.41 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.75 2bny s LEU 86 N 0.52 2.74 -0.17 -1.29 2.96 0.14 -4.99 118.68 118.59 2bny s LEU 86 Ca -0.16 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2bny s LEU 86 Cb -0.17 -1.59 0.05 0.00 0.50 0.00 0.00 46.19 44.98 2bny s LEU 86 CO 0.06 0.25 0.03 0.00 -1.32 0.00 0.00 176.35 175.37 2bny s ALA 87 N -0.14 0.91 -0.06 5.97 0.00 -1.26 -0.55 121.76 126.63 2bny s ALA 87 Ca -0.01 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.40 2bny s ALA 87 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2bny s ALA 87 CO 0.03 -1.04 -0.10 -1.64 0.00 0.00 0.00 175.76 173.01 2bny s MET 88 N 1.90 2.65 -0.10 0.00 -1.94 0.12 -4.99 119.30 116.93 2bny s MET 88 Ca 0.00 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2bny s MET 88 Cb -0.16 -2.50 0.02 0.00 2.01 0.00 0.00 34.83 34.19 2bny s MET 88 CO -0.08 0.64 -0.13 -1.21 -0.01 0.00 0.00 175.02 174.24 2bny s GLU 89 N -0.77 1.91 -0.23 2.03 2.02 -1.26 -0.69 118.70 121.71 2bny s GLU 89 Ca 0.12 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.68 2bny s GLU 89 Cb -0.11 -1.69 0.04 0.00 0.10 0.00 0.00 34.13 32.48 2bny s GLU 89 CO 0.01 -0.09 -0.14 -1.17 0.02 0.00 0.00 175.26 173.88 2bny s LEU 90 N 1.08 2.94 -0.26 1.80 2.96 0.19 -4.98 118.68 122.42 2bny s LEU 90 Ca -0.06 -1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 52.65 2bny s LEU 90 Cb -0.15 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2bny s LEU 90 CO -0.02 -0.12 0.16 -0.89 -1.32 0.00 0.00 176.35 174.17 2bny s THR 91 N 1.18 5.21 -0.12 3.68 2.01 -1.26 -0.50 115.64 125.83 2bny s THR 91 Ca -0.03 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2bny s THR 91 Cb -0.17 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2bny s THR 91 CO -0.08 0.30 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.41 2bny s ILE 92 N 1.46 1.24 0.52 1.82 1.01 0.06 -4.97 121.20 122.34 2bny s ILE 92 Ca 0.07 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 2bny s ILE 92 Cb -0.15 -1.20 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 2bny s ILE 92 CO 0.08 0.40 1.33 -2.65 0.00 0.00 0.00 174.94 174.09 2bny n PRO 93 N 4.74 1.75 0.00 2.79 -0.02 -1.26 -0.92 135.00 142.08 2bny n PRO 93 Ca -0.15 0.64 0.02 0.00 -2.02 0.00 0.00 63.50 61.98 2bny n PRO 93 Cb 0.50 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.54 2bny n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bny n ILE 94 N -0.84 1.15 0.53 4.25 -5.35 -0.87 -1.68 119.36 116.54 2bny n ILE 94 Ca 0.09 0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.98 2bny n ILE 94 Cb 0.43 -1.23 0.15 0.00 -1.74 0.00 0.00 39.64 37.26 2bny n ILE 94 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2bny h PHE 95 N 0.00 0.00 -2.57 4.28 0.04 -1.88 -3.46 116.94 113.34 2bny h PHE 95 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 2bny h PHE 95 Cb 0.03 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.22 2bny h PHE 95 CO 0.00 0.00 1.09 0.00 -0.60 0.00 0.00 178.31 178.80 2bny s ALA 96 N -3.18 3.72 0.87 2.45 0.00 -0.68 -5.00 121.76 119.94 2bny s ALA 96 Ca 0.06 1.35 -0.08 0.00 0.00 0.00 0.00 51.96 53.28 2bny s ALA 96 Cb 0.13 -3.75 0.17 0.00 0.00 0.00 0.00 23.12 19.67 2bny s ALA 96 CO 0.73 -1.23 1.04 0.25 0.00 0.00 0.00 175.76 176.55 2bny n THR 97 N 4.83 0.00 -0.20 0.00 -2.24 -1.26 -4.84 114.28 110.57 2bny n THR 97 Ca 0.17 -1.09 -0.05 0.00 -2.27 0.00 0.00 64.05 60.81 2bny n THR 97 Cb 0.39 -1.30 0.12 0.00 -2.10 0.00 0.00 70.33 67.45 2bny n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2bny h ASN 98 N -1.09 0.93 -0.07 3.42 4.21 -1.98 -1.14 115.58 119.86 2bny h ASN 98 Ca -0.34 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 56.99 2bny h ASN 98 Cb 1.05 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 38.01 2bny h ASN 98 CO 0.29 0.89 0.04 0.28 -1.29 0.00 0.00 177.43 177.63 2bny h SER 99 N 0.95 0.09 -0.65 5.81 0.02 -1.99 0.21 113.55 117.99 2bny h SER 99 Ca 0.21 -0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.16 2bny h SER 99 Cb 0.32 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.76 2bny h SER 99 CO -0.00 0.16 0.25 0.44 -1.14 0.00 0.00 176.83 176.53 2bny h ASP 100 N 0.01 0.25 -0.28 3.07 3.32 -1.82 -1.43 116.42 119.54 2bny h ASP 100 Ca 0.02 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2bny h ASP 100 Cb 0.09 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2bny h ASP 100 CO -0.00 0.14 -0.10 0.00 -1.72 0.00 0.00 179.24 177.55 2bny h GLU 102 N 0.62 0.95 -0.28 0.00 5.08 0.43 -1.41 114.58 119.97 2bny h GLU 102 Ca 0.11 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2bny h GLU 102 Cb 0.54 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2bny h GLU 102 CO 0.03 0.69 -0.13 1.25 -1.00 0.00 0.00 179.01 179.85 2bny h LEU 103 N 0.96 0.59 -1.18 1.33 6.46 -0.89 -1.90 115.31 120.69 2bny h LEU 103 Ca 0.25 -0.40 0.09 0.00 -0.12 0.00 0.00 57.88 57.70 2bny h LEU 103 Cb 0.00 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 39.70 2bny h LEU 103 CO -0.04 0.87 0.58 0.40 -0.62 0.00 0.00 178.44 179.63 2bny h ILE 104 N 0.32 0.98 -0.20 4.05 2.04 -0.84 0.14 117.51 124.00 2bny h ILE 104 Ca 0.06 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2bny h ILE 104 Cb 0.64 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2bny h ILE 104 CO 0.04 0.17 -0.03 0.58 0.00 0.00 0.00 178.15 178.91 2bny h VAL 105 N 0.92 1.27 -0.81 1.67 2.07 -1.04 -2.55 116.25 117.79 2bny h VAL 105 Ca 0.42 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 67.06 2bny h VAL 105 Cb 0.38 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 2bny h VAL 105 CO -0.18 0.29 0.47 0.11 0.02 0.00 0.00 177.57 178.28 2bny h LYS 106 N 0.11 0.79 -0.88 1.57 1.57 -0.42 0.60 116.57 119.91 2bny h LYS 106 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2bny h LYS 106 Cb 0.45 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2bny h LYS 106 CO 0.02 0.52 0.52 0.00 -0.57 0.00 0.00 179.45 179.94 2bny h ALA 107 N 1.43 1.26 -0.48 3.86 0.00 -0.90 0.29 119.26 124.72 2bny h ALA 107 Ca 0.38 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2bny h ALA 107 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2bny h ALA 107 CO -0.22 0.63 -0.21 0.52 0.00 0.00 0.00 179.25 179.97 2bny h MET 108 N 1.22 0.98 -0.47 0.00 2.86 -0.74 0.23 114.93 119.01 2bny h MET 108 Ca 0.32 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2bny h MET 108 Cb -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2bny h MET 108 CO -0.06 1.09 0.13 1.96 1.06 0.00 0.00 176.91 181.09 2bny h GLN 109 N 0.83 0.74 -0.26 1.72 4.20 -0.32 -2.76 115.11 119.26 2bny h GLN 109 Ca 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2bny h GLN 109 Cb 0.78 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2bny h GLN 109 CO 0.06 0.72 0.14 0.78 -0.67 0.00 0.00 178.83 179.86 2bny h GLY 110 N 0.62 0.39 -0.23 3.46 0.00 -0.27 -0.79 103.07 106.25 2bny h GLY 110 Ca 0.15 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.43 2bny h GLY 110 CO -0.00 0.17 -0.13 -2.00 0.00 0.00 0.00 176.54 174.58 2bny h LEU 111 N 0.30 -0.53 -1.70 3.11 5.85 -0.79 -1.29 115.31 120.26 2bny h LEU 111 Ca 0.09 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2bny h LEU 111 Cb 0.08 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2bny h LEU 111 CO -0.01 -0.19 0.00 0.18 -0.34 0.00 0.00 178.44 178.07 2bny n LEU 112 N -5.41 2.48 -4.74 2.25 4.77 -1.06 -4.51 117.00 110.80 2bny n LEU 112 Ca 0.08 -1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 54.47 2bny n LEU 112 Cb 0.33 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2bny n LEU 112 CO 0.06 0.60 0.96 1.17 -1.33 0.00 0.00 177.39 178.85 2bny n LYS 113 N 0.85 1.56 -1.68 3.23 4.81 -0.32 -4.82 118.16 121.79 2bny n LYS 113 Ca 0.16 0.58 -0.45 0.00 -0.87 0.00 0.00 58.31 57.74 2bny n LYS 113 Cb 0.41 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.86 2bny n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bny n ASP 114 N -1.17 3.25 0.00 3.14 2.03 -1.26 -2.14 116.55 120.40 2bny n ASP 114 Ca 0.12 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.52 2bny n ASP 114 Cb 0.45 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2bny n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bny n GLY 115 N 3.17 0.98 3.90 0.27 0.00 -1.26 -5.05 105.19 107.20 2bny n GLY 115 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.03 6.17 0.04 1.61 0.01 -0.91 -4.91 114.94 113.92 2bny s ASN 116 Ca 0.00 0.95 -0.07 0.00 -0.71 0.00 0.00 52.86 53.02 2bny s ASN 116 Cb 0.00 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 2bny s ASN 116 CO 0.00 -0.67 1.13 -0.65 -1.51 0.00 0.00 177.10 175.40 2bny h PRO 117 N 0.12 -0.01 0.05 -0.60 0.11 -1.89 -1.88 132.00 127.90 2bny h PRO 117 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2bny h PRO 117 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2bny h PRO 117 CO 0.62 -0.01 -0.47 0.82 -0.21 0.00 0.00 178.00 178.75 2bny h ILE 118 N -0.01 0.00 -0.23 4.15 1.08 -1.95 -0.00 117.51 120.55 2bny h ILE 118 Ca 0.04 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 2bny h ILE 118 Cb 0.10 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 2bny h ILE 118 CO -0.21 0.00 0.17 1.55 -0.69 0.00 0.00 178.15 178.96 2bny h PRO 119 N -0.62 0.00 -0.19 2.37 0.13 -1.78 -1.64 132.00 130.27 2bny h PRO 119 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2bny h PRO 119 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2bny h PRO 119 CO -0.28 0.00 -0.47 0.77 -0.23 0.00 0.00 178.00 177.79 2bny h SER 120 N 0.00 0.75 0.23 1.44 0.02 -0.57 -1.77 113.55 113.64 2bny h SER 120 Ca 0.11 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2bny h SER 120 Cb 0.44 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2bny h SER 120 CO -0.00 1.18 -0.15 0.00 -1.14 0.00 0.00 176.83 176.72 2bny h ALA 121 N 0.59 -0.36 -0.10 3.77 0.00 -0.14 -2.64 119.26 120.37 2bny h ALA 121 Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2bny h ALA 121 Cb 1.08 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2bny h ALA 121 CO 0.10 -0.71 -0.13 0.82 0.00 0.00 0.00 179.25 179.33 2bny h ILE 122 N -0.37 0.65 0.00 0.00 2.04 -1.38 0.29 117.51 118.73 2bny h ILE 122 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2bny h ILE 122 Cb 0.31 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2bny h ILE 122 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 2bny n ALA 123 N -2.50 1.04 -1.46 1.87 0.00 -0.67 -1.97 120.51 116.81 2bny n ALA 123 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2bny n ALA 123 Cb 0.19 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.51 2.79 -3.81 0.00 0.00 -0.61 -4.96 120.51 112.42 2bny n ALA 124 Ca 0.00 -2.73 -0.30 0.00 0.00 0.00 0.00 53.44 50.41 2bny n ALA 124 Cb 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.05 -3.53 -4.80 0.00 3.02 -0.83 -4.92 115.26 103.16 2bny n ASN 125 Ca 0.15 -0.70 -0.31 0.00 -0.03 0.00 0.00 54.58 53.69 2bny n ASN 125 Cb 0.70 -2.90 -0.06 0.00 -0.61 0.00 0.00 39.78 36.91 2bny n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bny s SER 126 N -3.01 4.25 0.00 6.41 0.01 -0.01 -5.04 113.70 116.31 2bny s SER 126 Ca 0.58 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2bny s SER 126 Cb -0.31 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2bny s SER 126 CO 0.72 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2bny n GLY 127 N -1.38 7.31 3.86 3.44 0.00 -1.26 -4.33 105.19 112.83 2bny n GLY 127 Ca -0.15 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 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 0.59 5.14 0.00 -0.61 -1.09 -1.26 -4.80 121.20 119.17 2bny s ILE 128 Ca 0.00 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 2bny s ILE 128 Cb 0.00 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2bny s ILE 128 CO 0.00 0.40 0.00 0.00 -1.23 0.00 0.00 174.94 174.11