#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuz n SER 2 N 0.00 -1.87 -2.29 1.61 3.41 -1.26 -4.92 113.62 108.30 2yuz n SER 2 Ca 0.00 0.79 -0.18 0.00 -0.26 0.00 0.00 58.87 59.21 2yuz n SER 2 Cb 0.00 -1.03 0.02 0.00 -0.26 0.00 0.00 64.21 62.94 2yuz n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yuz n SER 3 N 1.50 3.98 -4.00 4.04 2.88 -1.26 -4.94 113.62 115.82 2yuz n SER 3 Ca 0.11 -3.31 -0.43 0.00 -1.33 0.00 0.00 58.87 53.91 2yuz n SER 3 Cb 0.44 -0.40 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 2yuz n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuz n GLY 4 N -0.62 4.91 3.93 0.46 0.00 -1.26 -5.01 105.19 107.60 2yuz n GLY 4 Ca 0.33 -2.45 -0.25 0.00 0.00 0.00 0.00 46.02 43.65 2yuz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuz s SER 5 N -0.55 6.33 -0.21 1.61 0.15 -1.26 -5.09 113.70 114.68 2yuz s SER 5 Ca 0.34 0.55 -0.00 0.00 0.70 0.00 0.00 55.95 57.54 2yuz s SER 5 Cb 0.05 -2.08 0.06 0.00 -1.71 0.00 0.00 66.02 62.34 2yuz s SER 5 CO 0.06 -0.29 -0.03 -0.55 1.20 0.00 0.00 173.24 173.63 2yuz s SER 6 N -3.81 3.39 0.00 5.45 0.15 -1.26 -4.97 113.70 112.65 2yuz s SER 6 Ca 0.41 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2yuz s SER 6 Cb -0.10 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2yuz s SER 6 CO 0.35 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2yuz n GLY 7 N 4.81 0.05 3.76 9.45 0.00 -1.26 -5.14 105.19 116.86 2yuz n GLY 7 Ca -0.11 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2yuz n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yuz s LEU 8 N 0.00 4.48 -0.09 0.99 2.96 -1.26 -5.03 118.68 120.73 2yuz s LEU 8 Ca 0.00 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 2yuz s LEU 8 Cb 0.00 -3.73 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2yuz s LEU 8 CO 0.00 -0.20 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.00 2yuz s LYS 9 N -1.63 1.46 -0.88 1.98 2.47 -1.26 -5.00 119.74 116.89 2yuz s LYS 9 Ca 0.47 -0.27 -0.25 0.00 -1.56 0.00 0.00 55.97 54.36 2yuz s LYS 9 Cb -0.30 -1.43 0.04 0.00 -1.46 0.00 0.00 37.83 34.67 2yuz s LYS 9 CO 0.38 -0.17 1.40 0.42 0.16 0.00 0.00 175.35 177.55 2yuz s ILE 10 N 1.34 3.80 0.09 5.43 1.09 -1.26 -1.56 121.20 130.13 2yuz s ILE 10 Ca -0.02 -0.19 -0.21 0.00 -1.10 0.00 0.00 60.65 59.13 2yuz s ILE 10 Cb -0.14 -4.93 -0.10 0.00 -1.06 0.00 0.00 42.46 36.23 2yuz s ILE 10 CO -0.04 -1.84 1.63 -0.07 -0.10 0.00 0.00 174.94 174.53 2yuz h LEU 11 N 13.18 0.21 -7.08 2.97 3.38 -1.89 -3.38 115.31 122.72 2yuz h LEU 11 Ca -0.03 -0.15 -0.62 0.00 0.09 0.00 0.00 57.88 57.17 2yuz h LEU 11 Cb 1.03 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 41.32 2yuz h LEU 11 CO 1.35 0.31 -0.71 -0.89 0.09 0.00 0.00 178.44 178.59 2yuz s THR 12 N -5.59 1.70 0.64 0.22 2.01 -1.15 -4.97 115.64 108.50 2yuz s THR 12 Ca -0.14 -2.77 -0.16 0.00 0.31 0.00 0.00 61.69 58.94 2yuz s THR 12 Cb 0.07 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 2yuz s THR 12 CO 0.70 -0.88 1.11 -2.16 -0.69 0.00 0.00 174.62 172.70 2yuz s PRO 13 N 0.16 2.88 0.28 4.92 0.04 -1.26 -1.59 135.00 140.43 2yuz s PRO 13 Ca 0.18 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 2yuz s PRO 13 Cb -0.24 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 2yuz s PRO 13 CO -0.00 -1.19 1.63 -0.51 0.04 0.00 0.00 177.00 176.96 2yuz s LEU 14 N -4.72 4.35 0.30 -3.56 1.43 -1.26 -4.92 118.68 110.30 2yuz s LEU 14 Ca 0.68 2.96 0.08 0.00 -1.03 0.00 0.00 54.13 56.82 2yuz s LEU 14 Cb -0.21 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2yuz s LEU 14 CO 0.40 -0.94 0.18 0.42 0.23 0.00 0.00 176.35 176.63 2yuz s THR 15 N 0.21 3.64 0.26 5.49 -4.23 -1.26 -4.69 115.64 115.06 2yuz s THR 15 Ca 0.66 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 2yuz s THR 15 Cb -0.49 -3.14 -0.09 0.00 1.34 0.00 0.00 72.50 70.12 2yuz s THR 15 CO 0.45 -0.26 1.28 1.51 -0.54 0.00 0.00 174.62 177.07 2yuz s ASP 16 N -3.86 6.91 -0.02 3.99 -4.77 -1.26 -4.66 116.67 112.99 2yuz s ASP 16 Ca 0.36 2.48 0.01 0.00 -3.30 0.00 0.00 52.55 52.11 2yuz s ASP 16 Cb -0.06 -2.63 0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2yuz s ASP 16 CO 0.24 -0.47 -0.04 -1.10 0.70 0.00 0.00 175.17 174.49 2yuz s GLN 17 N -0.88 0.57 -0.08 2.11 -1.52 -0.98 -4.99 119.66 113.88 2yuz s GLN 17 Ca 0.52 -0.11 0.03 0.00 -1.95 0.00 0.00 55.36 53.85 2yuz s GLN 17 Cb -0.37 -0.60 0.01 0.00 -0.22 0.00 0.00 33.01 31.83 2yuz s GLN 17 CO 0.44 -0.00 -0.19 0.99 -0.25 0.00 0.00 175.29 176.28 2yuz s THR 18 N 0.47 1.65 -0.08 -0.19 2.01 -1.26 -3.35 115.64 114.89 2yuz s THR 18 Ca -0.05 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 2yuz s THR 18 Cb -0.09 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.00 2yuz s THR 18 CO -0.00 0.47 0.26 0.68 -0.69 0.00 0.00 174.62 175.34 2yuz s VAL 19 N 0.45 0.02 0.70 3.82 -7.23 -1.21 -5.02 120.40 111.93 2yuz s VAL 19 Ca -0.16 -0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 59.69 2yuz s VAL 19 Cb -0.17 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.36 2yuz s VAL 19 CO 0.06 -0.09 1.24 0.21 -0.31 0.00 0.00 175.10 176.22 2yuz s ASN 20 N -0.27 4.37 0.20 4.85 3.84 -1.26 -3.74 114.94 122.93 2yuz s ASN 20 Ca -0.04 2.46 -0.32 0.00 0.21 0.00 0.00 52.86 55.18 2yuz s ASN 20 Cb -0.03 -2.60 -0.15 0.00 -0.55 0.00 0.00 41.25 37.92 2yuz s ASN 20 CO 0.01 -2.15 1.22 -0.11 -2.79 0.00 0.00 177.10 173.28 2yuz n LEU 21 N -2.37 2.04 0.00 3.21 0.00 -1.18 -1.21 117.00 117.49 2yuz n LEU 21 Ca 0.14 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.30 2yuz n LEU 21 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2yuz n LEU 21 CO 0.47 -1.06 0.00 0.61 0.00 0.00 0.00 177.39 177.41 2yuz n GLY 22 N 1.98 2.91 3.43 -3.96 0.00 0.42 -4.89 105.19 105.08 2yuz n GLY 22 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2yuz n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuz n LYS 23 N -0.06 -0.87 -3.21 1.61 4.76 -0.35 -3.57 118.16 116.47 2yuz n LYS 23 Ca 0.00 -0.22 -0.46 0.00 -2.87 0.00 0.00 58.31 54.77 2yuz n LYS 23 Cb 0.00 -1.93 -0.04 0.00 -1.84 0.00 0.00 35.03 31.21 2yuz n LYS 23 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2yuz s GLU 24 N -3.83 3.14 0.41 1.97 2.12 -1.26 -0.55 118.70 120.71 2yuz s GLU 24 Ca 0.59 -1.67 -0.25 0.00 0.36 0.00 0.00 54.97 54.00 2yuz s GLU 24 Cb -0.20 -4.34 -0.08 0.00 0.26 0.00 0.00 34.13 29.77 2yuz s GLU 24 CO 0.65 -1.43 1.26 0.42 -0.54 0.00 0.00 175.26 175.62 2yuz s ILE 25 N 1.87 2.76 -0.13 -3.70 1.01 -1.09 -4.83 121.20 117.10 2yuz s ILE 25 Ca 0.10 0.66 -0.05 0.00 0.00 0.00 0.00 60.65 61.36 2yuz s ILE 25 Cb -0.23 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 38.92 2yuz s ILE 25 CO 0.02 0.08 0.28 0.00 0.00 0.00 0.00 174.94 175.31 2yuz s LEU 27 N 1.97 2.00 0.01 0.00 1.43 -0.29 -4.97 118.68 118.82 2yuz s LEU 27 Ca -0.03 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2yuz s LEU 27 Cb -0.11 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2yuz s LEU 27 CO -0.09 0.20 -0.06 -0.75 0.23 0.00 0.00 176.35 175.88 2yuz s LYS 28 N -0.30 0.47 -0.08 1.70 2.20 -1.26 -0.92 119.74 121.55 2yuz s LYS 28 Ca 0.04 -0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.18 2yuz s LYS 28 Cb -0.08 -0.39 0.02 0.00 -1.51 0.00 0.00 37.83 35.88 2yuz s LYS 28 CO -0.00 0.10 0.27 0.00 -0.36 0.00 0.00 175.35 175.35 2yuz s GLU 30 N -0.17 2.40 0.02 0.00 2.12 -0.62 -1.55 118.70 120.89 2yuz s GLU 30 Ca -0.03 -1.06 -0.07 0.00 0.36 0.00 0.00 54.97 54.17 2yuz s GLU 30 Cb -0.03 -2.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.98 2yuz s GLU 30 CO 0.01 0.47 0.13 0.96 -0.54 0.00 0.00 175.26 176.29 2yuz s ILE 31 N -1.62 0.10 -0.15 -3.70 -4.36 -0.71 -2.92 121.20 107.84 2yuz s ILE 31 Ca 0.27 -0.85 -0.05 0.00 -0.26 0.00 0.00 60.65 59.76 2yuz s ILE 31 Cb -0.10 -0.64 -0.13 0.00 1.25 0.00 0.00 42.46 42.85 2yuz s ILE 31 CO 0.18 -0.47 3.15 -1.20 0.24 0.00 0.00 174.94 176.84 2yuz n SER 32 N 1.14 5.67 -3.63 4.36 7.64 -0.60 -4.77 113.62 123.42 2yuz n SER 32 Ca -0.21 -2.71 -0.09 0.00 1.01 0.00 0.00 58.87 56.87 2yuz n SER 32 Cb 0.57 -1.32 -0.07 0.00 -1.01 0.00 0.00 64.21 62.38 2yuz n SER 32 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2yuz s GLU 33 N -0.01 0.47 -1.14 1.43 2.56 -1.26 -4.64 118.70 116.10 2yuz s GLU 33 Ca 0.57 0.45 -0.04 0.00 0.00 0.00 0.00 54.97 55.94 2yuz s GLU 33 Cb 0.30 0.23 0.26 0.00 2.00 0.00 0.00 34.13 36.92 2yuz s GLU 33 CO -0.06 -0.08 1.82 0.09 -0.56 0.00 0.00 175.26 176.46 2yuz n ASN 34 N 1.85 6.77 -4.13 -1.70 4.13 -1.26 -4.58 115.26 116.34 2yuz n ASN 34 Ca -0.12 -3.40 -0.20 0.00 1.68 0.00 0.00 54.58 52.54 2yuz n ASN 34 Cb 0.56 -1.29 -0.14 0.00 -1.54 0.00 0.00 39.78 37.38 2yuz n ASN 34 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2yuz s ILE 35 N -2.44 1.08 0.85 2.41 -5.25 -1.26 -5.01 121.20 111.58 2yuz s ILE 35 Ca 0.39 -0.90 -0.11 0.00 -0.99 0.00 0.00 60.65 59.03 2yuz s ILE 35 Cb 0.12 -0.97 0.10 0.00 2.95 0.00 0.00 42.46 44.67 2yuz s ILE 35 CO -0.02 0.06 1.09 -2.16 -1.79 0.00 0.00 174.94 172.12 2yuz s PRO 36 N -0.97 1.63 0.30 0.37 0.04 -1.26 -4.93 135.00 130.19 2yuz s PRO 36 Ca 0.02 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 2yuz s PRO 36 Cb -0.07 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2yuz s PRO 36 CO 0.01 -2.02 0.55 0.20 0.04 0.00 0.00 177.00 175.78 2yuz s GLY 37 N -3.41 0.78 0.05 0.56 0.00 -1.26 -2.54 107.32 101.50 2yuz s GLY 37 Ca 0.63 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 44.36 2yuz s GLY 37 CO 0.57 -0.66 -0.13 1.25 0.00 0.00 0.00 173.10 174.12 2yuz s LYS 38 N -3.40 0.83 0.38 2.90 2.47 -0.42 -4.89 119.74 117.61 2yuz s LYS 38 Ca 0.23 -0.84 0.05 0.00 -1.56 0.00 0.00 55.97 53.86 2yuz s LYS 38 Cb -0.02 -0.82 -0.00 0.00 -1.46 0.00 0.00 37.83 35.53 2yuz s LYS 38 CO 0.13 0.19 0.54 -1.58 0.16 0.00 0.00 175.35 174.79 2yuz s TRP 39 N -1.07 3.11 -0.13 4.03 0.52 -1.26 -0.90 118.94 123.23 2yuz s TRP 39 Ca -0.01 -0.12 -0.11 0.00 0.02 0.00 0.00 56.10 55.87 2yuz s TRP 39 Cb -0.09 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.14 2yuz s TRP 39 CO 0.02 -0.16 0.35 0.95 0.02 0.00 0.00 176.95 178.13 2yuz s THR 40 N -2.30 -0.01 -0.03 2.01 -4.23 0.15 -3.51 115.64 107.74 2yuz s THR 40 Ca 0.47 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 2yuz s THR 40 Cb -0.10 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 2yuz s THR 40 CO 0.33 0.01 -0.09 -0.75 -0.54 0.00 0.00 174.62 173.58 2yuz s LYS 41 N 0.38 2.58 -1.61 3.99 2.20 0.14 -1.37 119.74 126.04 2yuz s LYS 41 Ca -0.02 -0.68 -0.20 0.00 -0.36 0.00 0.00 55.97 54.71 2yuz s LYS 41 Cb -0.04 -2.49 0.20 0.00 -1.51 0.00 0.00 37.83 33.99 2yuz s LYS 41 CO -0.02 0.62 0.50 0.09 -0.36 0.00 0.00 175.35 176.19 2yuz n ASN 42 N 1.89 -1.52 -2.40 1.43 3.02 -1.09 0.15 115.26 116.74 2yuz n ASN 42 Ca -0.17 -1.07 -0.13 0.00 -0.03 0.00 0.00 54.58 53.19 2yuz n ASN 42 Cb 0.53 -1.37 0.05 0.00 -0.61 0.00 0.00 39.78 38.37 2yuz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuz n GLY 43 N -1.01 0.01 3.28 7.41 0.00 -1.26 -5.04 105.19 108.58 2yuz n GLY 43 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2yuz n GLY 43 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2yuz s LEU 44 N -4.72 0.70 -0.25 0.99 0.05 0.41 -5.12 118.68 110.73 2yuz s LEU 44 Ca 0.21 -0.11 -0.29 0.00 0.05 0.00 0.00 54.13 53.99 2yuz s LEU 44 Cb -0.09 1.49 -0.02 0.00 -2.05 0.00 0.00 46.19 45.52 2yuz s LEU 44 CO 0.44 -0.63 1.64 -2.16 -0.55 0.00 0.00 176.35 175.09 2yuz s PRO 45 N -2.49 3.69 0.38 1.48 0.04 -1.26 0.27 135.00 137.11 2yuz s PRO 45 Ca -0.05 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.28 2yuz s PRO 45 Cb -0.01 -4.07 -0.10 0.00 0.04 0.00 0.00 34.50 30.37 2yuz s PRO 45 CO -0.03 -1.42 1.36 0.08 0.04 0.00 0.00 177.00 177.03 2yuz s VAL 46 N 5.54 2.48 0.14 -0.36 1.01 -1.23 -4.87 120.40 123.11 2yuz s VAL 46 Ca 0.72 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 2yuz s VAL 46 Cb -0.24 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 2yuz s VAL 46 CO 0.30 0.09 0.50 -1.10 0.00 0.00 0.00 175.10 174.90 2yuz s GLN 47 N -2.07 3.89 -0.12 2.72 -1.52 -1.26 -4.99 119.66 116.31 2yuz s GLN 47 Ca 0.53 0.37 -0.05 0.00 -1.95 0.00 0.00 55.36 54.26 2yuz s GLN 47 Cb -0.41 -2.91 -0.04 0.00 -0.22 0.00 0.00 33.01 29.43 2yuz s GLN 47 CO 0.54 0.48 0.08 -1.21 -0.25 0.00 0.00 175.29 174.94 2yuz s GLU 48 N -2.06 3.39 0.21 2.91 2.02 -1.26 -4.91 118.70 119.00 2yuz s GLU 48 Ca 0.38 -0.25 -0.17 0.00 0.02 0.00 0.00 54.97 54.94 2yuz s GLU 48 Cb -0.14 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.04 2yuz s GLU 48 CO 0.19 0.67 0.53 -1.12 0.02 0.00 0.00 175.26 175.55 2yuz s SER 49 N -0.75 -0.23 0.32 -0.19 0.01 -0.86 -4.99 113.70 107.01 2yuz s SER 49 Ca 0.13 -0.56 0.08 0.00 1.31 0.00 0.00 55.95 56.90 2yuz s SER 49 Cb -0.12 0.59 0.93 0.00 0.21 0.00 0.00 66.02 67.63 2yuz s SER 49 CO 0.03 -1.09 1.51 0.47 0.41 0.00 0.00 173.24 174.56 2yuz n ASP 50 N -0.35 0.04 0.28 2.44 8.00 -1.26 -0.91 116.55 124.79 2yuz n ASP 50 Ca -0.08 1.62 -0.11 0.00 0.71 0.00 0.00 54.79 56.92 2yuz n ASP 50 Cb 0.62 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 2yuz n ASP 50 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2yuz h ARG 51 N 0.00 -0.72 -6.01 -1.24 2.47 -2.00 -3.42 114.38 103.47 2yuz h ARG 51 Ca 0.66 0.05 -0.59 0.00 -1.26 0.00 0.00 59.98 58.84 2yuz h ARG 51 Cb 1.53 0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 29.93 2yuz h ARG 51 CO -0.85 -0.48 0.62 -1.17 0.56 0.00 0.00 179.97 178.66 2yuz s LEU 52 N -8.71 4.03 -0.08 3.04 0.20 -0.09 -4.12 118.68 112.95 2yuz s LEU 52 Ca -0.11 0.95 0.02 0.00 0.69 0.00 0.00 54.13 55.67 2yuz s LEU 52 Cb 0.01 -3.32 0.02 0.00 -0.43 0.00 0.00 46.19 42.47 2yuz s LEU 52 CO 0.33 -0.70 -0.12 -0.75 -0.29 0.00 0.00 176.35 174.81 2yuz s LYS 53 N 3.22 1.79 -0.56 1.98 2.20 -1.26 -2.03 119.74 125.09 2yuz s LYS 53 Ca 0.39 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.40 2yuz s LYS 53 Cb -0.14 -1.54 0.10 0.00 -1.51 0.00 0.00 37.83 34.74 2yuz s LYS 53 CO 0.12 -0.04 0.62 0.08 -0.36 0.00 0.00 175.35 175.78 2yuz s VAL 54 N 0.90 4.95 -0.13 4.02 1.01 -1.26 -4.27 120.40 125.62 2yuz s VAL 54 Ca -0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.76 2yuz s VAL 54 Cb -0.15 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2yuz s VAL 54 CO 0.01 -0.99 0.12 -0.69 0.00 0.00 0.00 175.10 173.55 2yuz s VAL 55 N 2.35 5.31 -0.02 2.92 1.01 -0.95 -5.03 120.40 125.99 2yuz s VAL 55 Ca 0.09 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2yuz s VAL 55 Cb -0.25 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2yuz s VAL 55 CO 0.06 0.59 -0.18 -1.58 0.00 0.00 0.00 175.10 173.99 2yuz s GLN 56 N -0.77 1.56 -0.31 2.72 0.74 -1.26 -1.22 119.66 121.13 2yuz s GLN 56 Ca 0.13 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.91 2yuz s GLN 56 Cb -0.12 -1.46 0.10 0.00 1.10 0.00 0.00 33.01 32.62 2yuz s GLN 56 CO 0.03 0.35 0.07 0.15 -0.55 0.00 0.00 175.29 175.34 2yuz s LYS 57 N -0.30 0.94 3.43 1.67 -0.14 -0.25 -5.00 119.74 120.11 2yuz s LYS 57 Ca 0.04 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 53.42 2yuz s LYS 57 Cb -0.08 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 2yuz s LYS 57 CO 0.00 -0.94 0.00 0.41 -0.76 0.00 0.00 175.35 174.06 2yuz n GLY 58 N 4.71 0.26 1.17 -3.33 0.00 -1.26 -1.03 105.19 105.71 2yuz n GLY 58 Ca -0.02 0.67 -0.04 0.00 0.00 0.00 0.00 46.02 46.63 2yuz n GLY 58 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2yuz n ARG 59 N 0.00 2.16 -3.71 1.61 1.85 -1.26 -4.44 116.66 112.88 2yuz n ARG 59 Ca 0.00 -3.52 -0.25 0.00 -1.00 0.00 0.00 57.85 53.08 2yuz n ARG 59 Cb 0.00 -1.74 -0.17 0.00 -1.05 0.00 0.00 32.46 29.49 2yuz n ARG 59 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2yuz s ILE 60 N -3.52 0.25 -0.47 8.89 1.01 -0.20 -1.74 121.20 125.43 2yuz s ILE 60 Ca 0.42 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 2yuz s ILE 60 Cb 0.38 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 42.22 2yuz s ILE 60 CO -0.04 -0.04 0.71 -1.00 0.00 0.00 0.00 174.94 174.57 2yuz s HIS 61 N 2.00 3.01 -0.15 3.97 3.76 -0.60 -1.09 115.29 126.20 2yuz s HIS 61 Ca 0.02 -0.10 -0.06 0.00 -0.15 0.00 0.00 55.06 54.78 2yuz s HIS 61 Cb -0.15 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 29.97 2yuz s HIS 61 CO -0.07 -0.98 0.04 0.21 -0.85 0.00 0.00 174.74 173.09 2yuz s LYS 62 N 3.02 3.67 -0.16 1.40 2.20 -0.36 -2.78 119.74 126.73 2yuz s LYS 62 Ca 0.24 -0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.44 2yuz s LYS 62 Cb -0.14 -3.08 0.06 0.00 -1.51 0.00 0.00 37.83 33.15 2yuz s LYS 62 CO 0.18 0.42 0.09 -1.17 -0.36 0.00 0.00 175.35 174.52 2yuz s LEU 63 N -0.06 0.31 -0.03 5.43 0.20 -0.10 -2.23 118.68 122.21 2yuz s LEU 63 Ca 0.06 -0.54 0.07 0.00 0.69 0.00 0.00 54.13 54.41 2yuz s LEU 63 Cb -0.12 -0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.41 2yuz s LEU 63 CO 0.01 -0.34 -0.25 0.68 -0.29 0.00 0.00 176.35 176.17 2yuz s VAL 64 N 2.15 1.95 -0.11 1.68 -7.23 -1.26 -1.14 120.40 116.44 2yuz s VAL 64 Ca 0.02 -1.05 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2yuz s VAL 64 Cb -0.16 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2yuz s VAL 64 CO -0.09 0.55 0.13 -0.63 -0.31 0.00 0.00 175.10 174.75 2yuz s ILE 65 N -0.49 5.41 0.03 -0.62 1.01 0.98 -4.31 121.20 123.20 2yuz s ILE 65 Ca 0.07 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 2yuz s ILE 65 Cb -0.10 -3.36 -0.17 0.00 0.01 0.00 0.00 42.46 38.84 2yuz s ILE 65 CO -0.00 0.61 1.28 0.00 0.00 0.00 0.00 174.94 176.83 2yuz h ALA 66 N 4.96 -0.95 -3.05 9.38 0.00 -1.86 -2.88 119.26 124.86 2yuz h ALA 66 Ca -0.54 -0.22 -0.67 0.00 0.00 0.00 0.00 54.91 53.48 2yuz h ALA 66 Cb 1.23 0.37 -0.33 0.00 0.00 0.00 0.00 17.79 19.05 2yuz h ALA 66 CO 0.58 -0.93 -0.83 -0.80 0.00 0.00 0.00 179.25 177.28 2yuz s ASN 67 N -4.46 3.40 -0.70 0.00 -0.87 -1.26 -4.20 114.94 106.85 2yuz s ASN 67 Ca -0.16 -0.59 -0.26 0.00 -1.57 0.00 0.00 52.86 50.28 2yuz s ASN 67 Cb 0.02 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.25 39.71 2yuz s ASN 67 CO 0.50 -0.00 1.67 0.00 -2.57 0.00 0.00 177.10 176.70 2yuz s ALA 68 N 1.31 2.32 0.22 0.60 0.00 0.29 -4.81 121.76 121.69 2yuz s ALA 68 Ca 0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2yuz s ALA 68 Cb -0.13 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.61 2yuz s ALA 68 CO -0.10 -3.79 0.43 -0.51 0.00 0.00 0.00 175.76 171.78 2yuz s LEU 69 N 7.94 4.19 0.24 0.00 1.43 -1.26 -0.43 118.68 130.78 2yuz s LEU 69 Ca 0.56 0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 54.09 2yuz s LEU 69 Cb -0.10 -3.27 0.42 0.00 0.03 0.00 0.00 46.19 43.27 2yuz s LEU 69 CO 0.15 -0.07 1.64 0.00 0.23 0.00 0.00 176.35 178.30 2yuz h THR 70 N 1.56 0.34 -1.68 5.49 1.03 -1.97 0.41 112.91 118.09 2yuz h THR 70 Ca -0.48 -0.03 0.49 0.00 -0.01 0.00 0.00 66.41 66.38 2yuz h THR 70 Cb 1.19 0.24 -0.07 0.00 -1.07 0.00 0.00 68.15 68.44 2yuz h THR 70 CO 0.68 0.02 1.21 1.05 -0.01 0.00 0.00 175.52 178.46 2yuz h GLU 71 N 0.10 0.00 -0.81 0.00 4.11 -2.00 0.66 114.58 116.64 2yuz h GLU 71 Ca 0.40 -0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.92 2yuz h GLU 71 Cb 0.71 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 2yuz h GLU 71 CO -0.66 0.00 0.47 0.38 0.07 0.00 0.00 179.01 179.27 2yuz h ASP 72 N 0.00 0.68 -1.86 3.06 2.03 -0.56 -3.40 116.42 116.38 2yuz h ASP 72 Ca 0.80 0.04 -0.60 0.00 -0.73 0.00 0.00 57.03 56.54 2yuz h ASP 72 Cb 3.20 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 41.61 2yuz h ASP 72 CO -0.01 0.40 1.49 1.21 -1.03 0.00 0.00 179.24 181.30 2yuz n GLU 73 N -4.73 1.84 0.00 4.15 0.00 0.23 -4.56 120.64 117.57 2yuz n GLU 73 Ca 0.13 0.50 0.00 0.00 0.00 0.00 0.00 57.16 57.78 2yuz n GLU 73 Cb 0.25 -3.14 0.00 0.00 0.00 0.00 0.00 31.44 28.55 2yuz n GLU 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2yuz n GLY 74 N 5.89 -0.72 2.87 8.31 0.00 -1.26 -5.03 105.19 115.25 2yuz n GLY 74 Ca 0.32 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.84 2yuz n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuz s ASP 75 N 2.00 0.79 -0.19 1.61 1.01 -1.26 -4.30 116.67 116.32 2yuz s ASP 75 Ca 0.00 0.12 -0.17 0.00 0.71 0.00 0.00 52.55 53.21 2yuz s ASP 75 Cb 0.00 0.69 -0.04 0.00 1.01 0.00 0.00 42.92 44.58 2yuz s ASP 75 CO 0.00 -0.30 0.44 -0.31 0.21 0.00 0.00 175.17 175.21 2yuz s TYR 76 N 2.42 3.39 0.00 4.23 1.51 -0.49 -2.68 117.35 125.73 2yuz s TYR 76 Ca 0.07 0.69 0.04 0.00 -1.01 0.00 0.00 57.07 56.86 2yuz s TYR 76 Cb -0.15 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.12 2yuz s TYR 76 CO -0.12 -0.01 -0.13 0.08 -1.11 0.00 0.00 175.55 174.25 2yuz s VAL 77 N 1.31 1.03 -0.11 0.71 1.01 -0.47 -0.53 120.40 123.35 2yuz s VAL 77 Ca 0.21 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2yuz s VAL 77 Cb -0.15 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2yuz s VAL 77 CO 0.09 0.22 -0.14 0.12 0.00 0.00 0.00 175.10 175.38 2yuz s PHE 78 N -0.44 1.90 -0.09 5.22 5.36 -1.11 0.33 117.98 129.15 2yuz s PHE 78 Ca 0.04 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.11 2yuz s PHE 78 Cb -0.06 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 41.25 2yuz s PHE 78 CO -0.00 -0.49 -0.10 0.00 -1.46 0.00 0.00 175.22 173.16 2yuz s ALA 79 N 1.12 1.31 0.67 11.12 0.00 -0.08 -1.34 121.76 134.57 2yuz s ALA 79 Ca -0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 2yuz s ALA 79 Cb -0.14 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2yuz s ALA 79 CO -0.03 -0.15 1.11 -1.25 0.00 0.00 0.00 175.76 175.44 2yuz s PRO 80 N 1.17 2.77 -0.01 0.00 0.04 -1.26 -1.30 135.00 136.42 2yuz s PRO 80 Ca -0.05 1.37 0.12 0.00 0.04 0.00 0.00 61.00 62.48 2yuz s PRO 80 Cb -0.14 -1.95 0.36 0.00 0.04 0.00 0.00 34.50 32.81 2yuz s PRO 80 CO -0.02 -1.27 1.29 -0.25 0.04 0.00 0.00 177.00 176.78 2yuz n ASP 81 N -2.49 2.22 -0.00 6.66 8.00 -1.05 -3.86 116.55 126.02 2yuz n ASP 81 Ca 0.10 -2.03 -0.00 0.00 0.71 0.00 0.00 54.79 53.57 2yuz n ASP 81 Cb 0.52 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 2yuz n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuz n ALA 82 N 0.65 1.99 -2.61 2.24 0.00 -1.26 -5.07 120.51 116.45 2yuz n ALA 82 Ca 0.13 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 2yuz n ALA 82 Cb 0.36 0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 2yuz n ALA 82 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2yuz s TYR 83 N -2.03 1.86 -0.75 0.00 1.51 -1.25 -5.09 117.35 111.60 2yuz s TYR 83 Ca -0.00 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 54.97 2yuz s TYR 83 Cb 0.00 -1.36 0.28 0.00 -0.11 0.00 0.00 41.96 40.78 2yuz s TYR 83 CO 0.04 -0.05 1.02 -1.71 -1.11 0.00 0.00 175.55 173.74 2yuz n ASN 84 N -1.24 4.73 -4.22 2.29 2.85 -1.26 -4.40 115.26 114.01 2yuz n ASN 84 Ca -0.11 -3.51 -0.20 0.00 -0.11 0.00 0.00 54.58 50.65 2yuz n ASN 84 Cb 0.66 -0.81 -0.12 0.00 1.24 0.00 0.00 39.78 40.75 2yuz n ASN 84 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2yuz s VAL 85 N -3.08 1.36 -0.08 3.44 0.11 -1.26 -5.08 120.40 115.80 2yuz s VAL 85 Ca 0.40 -1.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 2yuz s VAL 85 Cb 0.16 -1.29 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2yuz s VAL 85 CO -0.02 -0.18 -0.09 0.42 -3.33 0.00 0.00 175.10 171.91 2yuz s THR 86 N -1.29 0.96 -0.51 5.04 -4.23 -1.26 -3.98 115.64 110.37 2yuz s THR 86 Ca 0.02 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 2yuz s THR 86 Cb -0.10 -0.95 0.08 0.00 1.34 0.00 0.00 72.50 72.88 2yuz s THR 86 CO 0.03 0.34 0.50 -0.76 -0.54 0.00 0.00 174.62 174.19 2yuz s LEU 87 N 1.19 5.56 0.41 4.79 1.02 -0.45 -4.87 118.68 126.34 2yuz s LEU 87 Ca -0.05 -1.33 -0.25 0.00 0.02 0.00 0.00 54.13 52.52 2yuz s LEU 87 Cb -0.14 -2.26 -0.08 0.00 0.02 0.00 0.00 46.19 43.73 2yuz s LEU 87 CO -0.02 -0.80 1.18 -2.16 0.02 0.00 0.00 176.35 174.57 2yuz s PRO 88 N 1.98 3.98 -0.16 1.29 0.04 -1.26 -2.75 135.00 138.12 2yuz s PRO 88 Ca 0.07 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 2yuz s PRO 88 Cb -0.24 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.73 2yuz s PRO 88 CO 0.07 -0.39 0.38 0.00 0.04 0.00 0.00 177.00 177.10 2yuz s ALA 89 N -1.43 -0.95 -0.16 8.56 0.00 0.31 -4.61 121.76 123.48 2yuz s ALA 89 Ca 0.59 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.88 2yuz s ALA 89 Cb -0.31 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2yuz s ALA 89 CO 0.39 -0.28 0.12 0.21 0.00 0.00 0.00 175.76 176.21 2yuz s LYS 90 N 1.43 3.81 0.08 0.00 2.47 -1.26 -1.39 119.74 124.88 2yuz s LYS 90 Ca -0.09 -0.20 0.04 0.00 -1.56 0.00 0.00 55.97 54.16 2yuz s LYS 90 Cb -0.09 -3.28 -0.03 0.00 -1.46 0.00 0.00 37.83 32.96 2yuz s LYS 90 CO -0.12 0.52 -0.10 0.14 0.16 0.00 0.00 175.35 175.95 2yuz s VAL 91 N -0.28 0.89 0.02 4.02 -7.23 -1.26 -2.32 120.40 114.24 2yuz s VAL 91 Ca 0.11 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2yuz s VAL 91 Cb -0.12 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 2yuz s VAL 91 CO 0.01 -0.49 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.00 2yuz s HIS 92 N -2.14 0.23 0.04 2.82 2.46 -1.21 -3.99 115.29 113.50 2yuz s HIS 92 Ca 0.02 -0.40 0.08 0.00 0.47 0.00 0.00 55.06 55.24 2yuz s HIS 92 Cb -0.05 -0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.21 2yuz s HIS 92 CO 0.00 -0.13 -0.23 0.54 -2.47 0.00 0.00 174.74 172.45 2yuz s VAL 93 N -1.09 2.40 -0.22 0.89 0.11 -1.26 -3.30 120.40 117.93 2yuz s VAL 93 Ca -0.11 -1.29 -0.14 0.00 -2.93 0.00 0.00 61.98 57.50 2yuz s VAL 93 Cb -0.08 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2yuz s VAL 93 CO -0.01 0.37 0.31 -0.63 -3.33 0.00 0.00 175.10 171.82 2yuz s ILE 94 N -0.84 5.25 0.01 7.04 -1.09 -1.25 -4.95 121.20 125.38 2yuz s ILE 94 Ca 0.13 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.09 2yuz s ILE 94 Cb -0.10 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2yuz s ILE 94 CO 0.03 0.28 -0.08 -0.94 -1.23 0.00 0.00 174.94 173.00 2yuz s SER 95 N 1.06 0.98 0.00 3.58 1.04 -1.26 -3.12 113.70 115.97 2yuz s SER 95 Ca 0.15 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2yuz s SER 95 Cb -0.14 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2yuz s SER 95 CO 0.07 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2yuz n GLY 96 N 2.52 5.55 3.55 7.32 0.00 -1.26 -5.08 105.19 117.80 2yuz n GLY 96 Ca -0.15 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 2yuz n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuz s PRO 97 N 0.94 2.61 0.18 1.61 0.04 -1.26 -4.87 135.00 134.25 2yuz s PRO 97 Ca 0.00 0.52 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 2yuz s PRO 97 Cb 0.00 -4.46 0.13 0.00 0.04 0.00 0.00 34.50 30.21 2yuz s PRO 97 CO 0.00 -2.81 1.34 0.45 0.04 0.00 0.00 177.00 176.02 2yuz n SER 98 N 12.91 -0.66 -4.77 6.66 2.88 -1.26 -4.34 113.62 125.04 2yuz n SER 98 Ca 0.23 1.52 -0.40 0.00 -1.33 0.00 0.00 58.87 58.89 2yuz n SER 98 Cb 0.52 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.67 2yuz n SER 98 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuz s SER 99 N -5.35 6.34 0.00 -3.46 0.01 -1.26 -5.31 113.70 104.68 2yuz s SER 99 Ca -0.11 2.66 0.00 0.00 1.31 0.00 0.00 55.95 59.81 2yuz s SER 99 Cb 0.15 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2yuz s SER 99 CO 0.59 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.03