#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuz s SER 2 N 0.00 5.90 -0.50 1.61 0.15 -1.26 -4.89 113.70 114.72 2yuz s SER 2 Ca 0.00 1.36 -0.27 0.00 0.70 0.00 0.00 55.95 57.74 2yuz s SER 2 Cb 0.00 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 2yuz s SER 2 CO 0.00 -1.69 2.41 -1.20 1.20 0.00 0.00 173.24 173.96 2yuz n SER 3 N 10.22 2.26 0.00 5.45 7.64 -1.26 -4.55 113.62 133.38 2yuz n SER 3 Ca 0.23 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2yuz n SER 3 Cb 0.46 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 2yuz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuz n GLY 4 N 6.04 0.26 3.54 0.23 0.00 -1.26 -5.04 105.19 108.96 2yuz n GLY 4 Ca 0.39 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 -4.00 -0.53 -1.16 1.61 0.15 -1.26 -5.08 113.70 103.43 2yuz s SER 5 Ca 0.00 0.54 -0.21 0.00 0.70 0.00 0.00 55.95 56.98 2yuz s SER 5 Cb 0.00 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.78 2yuz s SER 5 CO 0.00 -0.51 1.70 -0.55 1.20 0.00 0.00 173.24 175.07 2yuz s SER 6 N -1.26 6.32 -0.45 5.45 0.15 -1.26 -4.77 113.70 117.87 2yuz s SER 6 Ca -0.06 -1.86 0.07 0.00 0.70 0.00 0.00 55.95 54.80 2yuz s SER 6 Cb -0.00 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.91 2yuz s SER 6 CO 0.05 -1.70 0.63 -0.83 1.20 0.00 0.00 173.24 172.59 2yuz s GLY 7 N 5.14 -1.00 0.24 9.45 0.00 -1.26 -5.14 107.32 114.76 2yuz s GLY 7 Ca 0.55 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.65 2yuz s GLY 7 CO 0.02 3.48 1.31 -2.27 0.00 0.00 0.00 173.10 175.64 2yuz s LEU 8 N 1.30 4.43 -0.21 0.66 2.96 -1.26 -5.02 118.68 121.54 2yuz s LEU 8 Ca 0.23 2.49 0.01 0.00 -0.22 0.00 0.00 54.13 56.64 2yuz s LEU 8 Cb -0.03 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.08 2yuz s LEU 8 CO -0.06 -0.52 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.77 2yuz s LYS 9 N -0.64 2.40 -0.34 1.98 -0.14 -1.26 -5.01 119.74 116.72 2yuz s LYS 9 Ca 0.54 -0.96 -0.29 0.00 -1.36 0.00 0.00 55.97 53.90 2yuz s LYS 9 Cb -0.38 -2.57 0.01 0.00 -1.68 0.00 0.00 37.83 33.21 2yuz s LYS 9 CO 0.42 -0.39 1.22 0.42 -0.76 0.00 0.00 175.35 176.26 2yuz s ILE 10 N 1.29 4.24 -0.14 2.17 1.01 -1.26 -1.55 121.20 126.96 2yuz s ILE 10 Ca -0.01 1.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.88 2yuz s ILE 10 Cb -0.16 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.88 2yuz s ILE 10 CO -0.09 -0.59 0.23 -0.07 0.00 0.00 0.00 174.94 174.42 2yuz h LEU 11 N 10.81 0.00 -7.34 2.97 3.38 -1.71 -3.43 115.31 119.98 2yuz h LEU 11 Ca -0.24 -0.38 -0.64 0.00 0.09 0.00 0.00 57.88 56.71 2yuz h LEU 11 Cb 1.08 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.42 2yuz h LEU 11 CO 1.05 0.87 -0.66 -0.89 0.09 0.00 0.00 178.44 178.90 2yuz s THR 12 N -2.02 2.31 0.16 0.22 2.01 -0.87 -4.98 115.64 112.47 2yuz s THR 12 Ca -0.13 -3.04 -0.30 0.00 0.31 0.00 0.00 61.69 58.52 2yuz s THR 12 Cb 0.01 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.82 2yuz s THR 12 CO 0.35 -0.79 1.33 -2.16 -0.69 0.00 0.00 174.62 172.65 2yuz s PRO 13 N -0.01 4.37 0.29 4.92 0.04 -1.26 -1.99 135.00 141.36 2yuz s PRO 13 Ca 0.16 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 2yuz s PRO 13 Cb -0.25 -3.22 -0.14 0.00 0.04 0.00 0.00 34.50 30.93 2yuz s PRO 13 CO -0.01 -0.31 0.17 1.28 0.04 0.00 0.00 177.00 178.17 2yuz n LEU 14 N 3.15 -2.05 -4.53 -3.56 4.77 -1.26 -4.97 117.00 108.55 2yuz n LEU 14 Ca 0.08 0.76 -0.24 0.00 -0.03 0.00 0.00 56.01 56.58 2yuz n LEU 14 Cb 0.43 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 2yuz n LEU 14 CO 0.58 -3.27 -0.41 0.42 -1.33 0.00 0.00 177.39 173.37 2yuz s THR 15 N -1.26 2.59 0.10 -5.08 -4.23 -1.26 -4.79 115.64 101.71 2yuz s THR 15 Ca 0.51 -2.24 -0.32 0.00 -1.18 0.00 0.00 61.69 58.47 2yuz s THR 15 Cb -0.61 -2.52 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 2yuz s THR 15 CO 0.52 -0.33 1.80 -0.90 -0.54 0.00 0.00 174.62 175.17 2yuz n ASP 16 N -0.74 3.81 -4.14 3.99 5.75 -1.26 -4.62 116.55 119.35 2yuz n ASP 16 Ca -0.05 1.00 -0.33 0.00 -0.01 0.00 0.00 54.79 55.40 2yuz n ASP 16 Cb 0.61 -1.50 -0.16 0.00 -1.03 0.00 0.00 41.12 39.04 2yuz n ASP 16 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2yuz s GLN 17 N 2.62 3.02 -0.13 0.11 -1.52 -0.82 -4.99 119.66 117.96 2yuz s GLN 17 Ca 0.83 -0.81 0.03 0.00 -1.95 0.00 0.00 55.36 53.45 2yuz s GLN 17 Cb -0.54 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 29.65 2yuz s GLN 17 CO 0.39 -0.21 -0.21 0.99 -0.25 0.00 0.00 175.29 176.01 2yuz s THR 18 N 1.30 1.94 0.30 -0.19 2.01 -1.26 -3.15 115.64 116.60 2yuz s THR 18 Ca 0.05 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2yuz s THR 18 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 2yuz s THR 18 CO -0.12 0.53 0.30 0.68 -0.69 0.00 0.00 174.62 175.32 2yuz s VAL 19 N 0.78 0.00 0.20 3.82 -7.23 -1.16 -5.02 120.40 111.79 2yuz s VAL 19 Ca -0.09 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2yuz s VAL 19 Cb -0.16 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 2yuz s VAL 19 CO -0.00 0.00 0.45 0.21 -0.31 0.00 0.00 175.10 175.44 2yuz s ASN 20 N -3.28 6.49 0.17 4.85 3.84 -1.26 -2.63 114.94 123.12 2yuz s ASN 20 Ca 0.37 0.64 -0.33 0.00 0.21 0.00 0.00 52.86 53.76 2yuz s ASN 20 Cb 0.03 -2.11 -0.13 0.00 -0.55 0.00 0.00 41.25 38.49 2yuz s ASN 20 CO 0.22 -0.04 1.68 -0.11 -2.79 0.00 0.00 177.10 176.06 2yuz n LEU 21 N -0.28 3.59 0.00 3.21 0.00 -1.16 -1.87 117.00 120.49 2yuz n LEU 21 Ca -0.02 1.06 0.00 0.00 0.00 0.00 0.00 56.01 57.05 2yuz n LEU 21 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 43.42 42.45 2yuz n LEU 21 CO 0.48 -0.03 0.00 0.61 0.00 0.00 0.00 177.39 178.45 2yuz n GLY 22 N 3.77 2.54 3.54 -3.96 0.00 -0.35 -4.91 105.19 105.83 2yuz n GLY 22 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2yuz n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuz s LYS 23 N -0.27 -1.05 -0.45 1.61 1.02 -0.78 -4.01 119.74 115.81 2yuz s LYS 23 Ca 0.00 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.13 2yuz s LYS 23 Cb 0.00 -1.58 0.05 0.00 -0.52 0.00 0.00 37.83 35.77 2yuz s LYS 23 CO 0.00 -3.67 0.44 -2.00 -0.92 0.00 0.00 175.35 169.20 2yuz s GLU 24 N -5.02 3.04 0.81 1.68 2.12 -1.26 0.14 118.70 120.21 2yuz s GLU 24 Ca 0.68 -1.02 -0.14 0.00 0.36 0.00 0.00 54.97 54.85 2yuz s GLU 24 Cb -0.16 -4.05 0.03 0.00 0.26 0.00 0.00 34.13 30.21 2yuz s GLU 24 CO 0.59 -0.97 0.77 -0.89 -0.54 0.00 0.00 175.26 174.21 2yuz n ILE 25 N 5.36 1.44 -3.68 -3.70 2.08 -0.97 -4.73 119.36 115.16 2yuz n ILE 25 Ca -0.09 -0.27 -0.11 0.00 0.56 0.00 0.00 62.75 62.84 2yuz n ILE 25 Cb 0.46 -0.89 -0.09 0.00 -0.75 0.00 0.00 39.64 38.36 2yuz n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yuz s LEU 27 N 0.94 -0.68 0.03 0.00 1.43 0.95 -4.96 118.68 116.38 2yuz s LEU 27 Ca -0.05 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2yuz s LEU 27 Cb -0.05 1.19 -0.03 0.00 0.03 0.00 0.00 46.19 47.32 2yuz s LEU 27 CO -0.08 -0.29 -0.13 -0.75 0.23 0.00 0.00 176.35 175.32 2yuz s LYS 28 N 2.57 2.28 0.04 1.70 2.20 -1.26 -0.68 119.74 126.59 2yuz s LYS 28 Ca 0.13 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 2yuz s LYS 28 Cb -0.15 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2yuz s LYS 28 CO -0.16 0.57 -0.04 0.00 -0.36 0.00 0.00 175.35 175.36 2yuz s GLU 30 N -2.64 1.36 0.32 0.00 2.12 -0.84 -1.10 118.70 117.93 2yuz s GLU 30 Ca -0.04 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.67 2yuz s GLU 30 Cb -0.02 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.00 2yuz s GLU 30 CO -0.05 0.36 0.30 0.96 -0.54 0.00 0.00 175.26 176.29 2yuz s ILE 31 N -0.49 0.00 -0.63 -3.70 -4.36 -1.06 -2.02 121.20 108.94 2yuz s ILE 31 Ca 0.06 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 2yuz s ILE 31 Cb -0.07 -2.52 0.41 0.00 1.25 0.00 0.00 42.46 41.53 2yuz s ILE 31 CO -0.00 0.00 1.70 -1.20 0.24 0.00 0.00 174.94 175.68 2yuz n SER 32 N -1.39 6.57 -3.45 4.36 7.64 -0.60 -4.78 113.62 121.98 2yuz n SER 32 Ca 0.06 -3.79 0.01 0.00 1.01 0.00 0.00 58.87 56.16 2yuz n SER 32 Cb 0.63 -0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 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 -3.82 0.30 -1.01 1.43 2.56 -1.26 -4.69 118.70 112.20 2yuz s GLU 33 Ca 0.54 0.70 -0.23 0.00 0.00 0.00 0.00 54.97 55.98 2yuz s GLU 33 Cb 0.44 0.36 0.05 0.00 2.00 0.00 0.00 34.13 36.99 2yuz s GLU 33 CO -0.19 -0.09 1.44 1.21 -0.56 0.00 0.00 175.26 177.06 2yuz s ASN 34 N 2.21 6.50 -0.05 -1.70 3.84 -1.26 -4.62 114.94 119.86 2yuz s ASN 34 Ca -0.04 -1.47 -0.13 0.00 0.21 0.00 0.00 52.86 51.43 2yuz s ASN 34 Cb -0.05 -2.56 0.03 0.00 -0.55 0.00 0.00 41.25 38.11 2yuz s ASN 34 CO -0.17 -1.49 0.31 0.27 -2.79 0.00 0.00 177.10 173.22 2yuz s ILE 35 N 4.90 0.04 0.64 -5.21 -5.25 -1.26 -4.97 121.20 110.08 2yuz s ILE 35 Ca 0.45 -0.31 -0.16 0.00 -0.99 0.00 0.00 60.65 59.64 2yuz s ILE 35 Cb -0.00 -0.55 -0.01 0.00 2.95 0.00 0.00 42.46 44.85 2yuz s ILE 35 CO -0.10 -0.17 1.11 -2.16 -1.79 0.00 0.00 174.94 171.83 2yuz s PRO 36 N -0.79 2.89 0.18 0.37 0.04 -1.26 -4.91 135.00 131.52 2yuz s PRO 36 Ca -0.09 1.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.38 2yuz s PRO 36 Cb -0.04 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2yuz s PRO 36 CO 0.03 -1.18 0.23 0.41 0.04 0.00 0.00 177.00 176.52 2yuz n GLY 37 N -0.41 2.78 3.09 0.56 0.00 -1.26 -2.18 105.19 107.76 2yuz n GLY 37 Ca 0.11 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 2yuz n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yuz s LYS 38 N -2.45 0.60 0.15 1.61 -2.85 0.11 -4.87 119.74 112.04 2yuz s LYS 38 Ca 0.16 -0.94 0.04 0.00 -1.00 0.00 0.00 55.97 54.23 2yuz s LYS 38 Cb -0.00 -0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 2yuz s LYS 38 CO 0.11 0.01 0.14 -1.58 0.10 0.00 0.00 175.35 174.13 2yuz s TRP 39 N -2.23 3.19 -0.07 1.78 0.52 -1.26 -0.41 118.94 120.47 2yuz s TRP 39 Ca -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.06 2yuz s TRP 39 Cb -0.04 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.76 2yuz s TRP 39 CO -0.02 0.52 0.16 0.95 0.02 0.00 0.00 176.95 178.58 2yuz s THR 40 N -1.69 -0.03 -0.00 2.01 -4.23 0.17 -2.28 115.64 109.60 2yuz s THR 40 Ca 0.31 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 2yuz s THR 40 Cb -0.11 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 2yuz s THR 40 CO 0.24 0.04 -0.12 -0.75 -0.54 0.00 0.00 174.62 173.49 2yuz s LYS 41 N 0.72 2.41 -1.75 3.99 2.36 0.71 -0.05 119.74 128.13 2yuz s LYS 41 Ca -0.05 -0.78 -0.22 0.00 -2.55 0.00 0.00 55.97 52.37 2yuz s LYS 41 Cb -0.07 -2.38 0.21 0.00 -1.05 0.00 0.00 37.83 34.54 2yuz s LYS 41 CO -0.04 0.59 0.60 0.09 1.55 0.00 0.00 175.35 178.14 2yuz n ASN 42 N 1.77 -2.04 -2.55 1.43 3.02 -0.84 0.73 115.26 116.77 2yuz n ASN 42 Ca -0.16 -1.11 -0.14 0.00 -0.03 0.00 0.00 54.58 53.14 2yuz n ASN 42 Cb 0.52 -1.76 0.05 0.00 -0.61 0.00 0.00 39.78 37.99 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 -1.08 -0.05 3.19 7.41 0.00 -1.26 -5.04 105.19 108.37 2yuz n GLY 43 Ca 0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2yuz n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yuz s LEU 44 N -5.02 1.01 -0.13 0.99 1.43 0.22 -5.13 118.68 112.05 2yuz s LEU 44 Ca 0.23 0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 2yuz s LEU 44 Cb -0.10 1.06 -0.04 0.00 0.03 0.00 0.00 46.19 47.15 2yuz s LEU 44 CO 0.48 -0.33 1.55 -2.16 0.23 0.00 0.00 176.35 176.11 2yuz s PRO 45 N -0.92 4.07 0.03 1.29 0.04 -1.26 -0.21 135.00 138.05 2yuz s PRO 45 Ca -0.10 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2yuz s PRO 45 Cb -0.05 -3.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.48 2yuz s PRO 45 CO 0.03 -0.95 1.47 0.08 0.04 0.00 0.00 177.00 177.66 2yuz s VAL 46 N 4.27 3.49 -0.21 -0.36 1.01 -0.96 -4.90 120.40 122.74 2yuz s VAL 46 Ca 0.68 0.91 -0.24 0.00 0.00 0.00 0.00 61.98 63.34 2yuz s VAL 46 Cb -0.28 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2yuz s VAL 46 CO 0.26 0.00 0.78 -1.10 0.00 0.00 0.00 175.10 175.04 2yuz s GLN 47 N 2.35 4.22 0.43 2.72 -0.21 -1.26 -4.89 119.66 123.01 2yuz s GLN 47 Ca 0.67 0.88 -0.22 0.00 0.02 0.00 0.00 55.36 56.70 2yuz s GLN 47 Cb -0.34 -3.61 -0.09 0.00 1.00 0.00 0.00 33.01 29.97 2yuz s GLN 47 CO 0.28 -0.39 1.02 -1.21 -2.12 0.00 0.00 175.29 172.87 2yuz s GLU 48 N 2.41 4.09 0.12 2.91 2.02 -1.26 -4.90 118.70 124.08 2yuz s GLU 48 Ca 0.34 1.38 -0.25 0.00 0.02 0.00 0.00 54.97 56.47 2yuz s GLU 48 Cb -0.16 -2.35 0.08 0.00 0.10 0.00 0.00 34.13 31.80 2yuz s GLU 48 CO 0.10 -0.19 0.69 0.45 0.02 0.00 0.00 175.26 176.33 2yuz s SER 49 N -1.81 -0.50 0.57 -0.19 0.15 -1.17 -4.95 113.70 105.80 2yuz s SER 49 Ca 0.61 -0.02 0.41 0.00 0.70 0.00 0.00 55.95 57.65 2yuz s SER 49 Cb -0.18 0.54 1.46 0.00 -1.71 0.00 0.00 66.02 66.13 2yuz s SER 49 CO 0.22 -0.88 1.52 0.44 1.20 0.00 0.00 173.24 175.75 2yuz h ASP 50 N 2.00 0.00 0.13 5.45 5.19 -2.04 0.98 116.42 128.13 2yuz h ASP 50 Ca -0.30 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.92 2yuz h ASP 50 Cb 1.29 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.82 2yuz h ASP 50 CO 0.35 0.00 -0.82 0.03 -3.12 0.00 0.00 179.24 175.68 2yuz h ARG 51 N 0.00 0.28 -4.98 3.56 3.08 -1.98 -3.43 114.38 110.91 2yuz h ARG 51 Ca 0.74 -0.48 -0.68 0.00 0.07 0.00 0.00 59.98 59.62 2yuz h ARG 51 Cb 3.29 0.18 -0.18 0.00 0.08 0.00 0.00 29.97 33.34 2yuz h ARG 51 CO -0.01 1.23 0.02 -1.17 -1.07 0.00 0.00 179.97 178.97 2yuz s LEU 52 N -7.87 4.92 -0.20 3.04 0.20 0.34 -1.86 118.68 117.25 2yuz s LEU 52 Ca -0.14 -0.83 -0.07 0.00 0.69 0.00 0.00 54.13 53.78 2yuz s LEU 52 Cb 0.01 -2.46 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 2yuz s LEU 52 CO 0.82 -0.84 0.05 -0.75 -0.29 0.00 0.00 176.35 175.34 2yuz s LYS 53 N 2.56 3.81 -0.42 1.98 2.20 -1.14 -3.07 119.74 125.66 2yuz s LYS 53 Ca 0.15 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.28 2yuz s LYS 53 Cb -0.19 -3.21 0.10 0.00 -1.51 0.00 0.00 37.83 33.02 2yuz s LYS 53 CO 0.13 0.09 0.24 0.08 -0.36 0.00 0.00 175.35 175.53 2yuz s VAL 54 N 0.84 3.80 0.10 4.02 1.01 -1.26 -2.74 120.40 126.17 2yuz s VAL 54 Ca 0.03 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.11 2yuz s VAL 54 Cb -0.14 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2yuz s VAL 54 CO 0.02 -0.60 0.58 -0.69 0.00 0.00 0.00 175.10 174.42 2yuz s VAL 55 N 1.30 4.74 -0.08 2.92 1.01 -0.64 -4.99 120.40 124.65 2yuz s VAL 55 Ca 0.05 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.21 2yuz s VAL 55 Cb -0.23 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2yuz s VAL 55 CO -0.01 0.46 -0.17 -1.58 0.00 0.00 0.00 175.10 173.80 2yuz s GLN 56 N -1.36 2.81 0.10 2.72 0.74 -1.26 -1.47 119.66 121.94 2yuz s GLN 56 Ca 0.32 -0.75 0.05 0.00 0.05 0.00 0.00 55.36 55.03 2yuz s GLN 56 Cb -0.18 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 2yuz s GLN 56 CO 0.19 0.42 -0.13 0.15 -0.55 0.00 0.00 175.29 175.38 2yuz s LYS 57 N -0.22 0.91 -0.47 1.67 1.02 0.39 -4.98 119.74 118.05 2yuz s LYS 57 Ca -0.00 -1.15 -0.46 0.00 0.02 0.00 0.00 55.97 54.38 2yuz s LYS 57 Cb -0.13 -0.75 -0.19 0.00 -0.52 0.00 0.00 37.83 36.23 2yuz s LYS 57 CO 0.03 0.14 1.64 0.41 -0.92 0.00 0.00 175.35 176.65 2yuz n GLY 58 N 0.71 0.25 3.93 -3.33 0.00 -1.26 0.98 105.19 106.47 2yuz n GLY 58 Ca -0.17 1.01 -0.31 0.00 0.00 0.00 0.00 46.02 46.54 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 4.32 -2.61 -3.67 1.61 1.85 -1.26 -4.90 116.66 112.00 2yuz n ARG 59 Ca 0.32 0.31 -0.13 0.00 -1.00 0.00 0.00 57.85 57.34 2yuz n ARG 59 Cb -0.04 -4.98 -0.08 0.00 -1.05 0.00 0.00 32.46 26.31 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 -3.06 -0.00 -0.17 8.89 1.01 0.27 -2.56 121.20 125.58 2yuz s ILE 60 Ca 0.62 0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2yuz s ILE 60 Cb -0.34 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.31 2yuz s ILE 60 CO 0.76 0.00 -0.20 -1.00 0.00 0.00 0.00 174.94 174.51 2yuz s HIS 61 N 0.50 2.68 -0.02 3.97 3.76 -0.26 -0.46 115.29 125.45 2yuz s HIS 61 Ca -0.01 -1.54 0.06 0.00 -0.15 0.00 0.00 55.06 53.41 2yuz s HIS 61 Cb -0.04 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 2yuz s HIS 61 CO -0.02 -0.76 -0.19 0.21 -0.85 0.00 0.00 174.74 173.13 2yuz s LYS 62 N 1.24 2.28 -0.09 1.40 2.20 -0.54 -0.60 119.74 125.63 2yuz s LYS 62 Ca 0.03 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 54.77 2yuz s LYS 62 Cb -0.13 -2.22 0.04 0.00 -1.51 0.00 0.00 37.83 34.01 2yuz s LYS 62 CO -0.11 0.59 0.20 -1.17 -0.36 0.00 0.00 175.35 174.49 2yuz s LEU 63 N -0.82 0.41 0.08 5.43 0.20 0.14 -1.63 118.68 122.50 2yuz s LEU 63 Ca 0.12 0.41 0.04 0.00 0.69 0.00 0.00 54.13 55.39 2yuz s LEU 63 Cb -0.10 0.52 -0.03 0.00 -0.43 0.00 0.00 46.19 46.14 2yuz s LEU 63 CO 0.01 -0.18 -0.11 0.68 -0.29 0.00 0.00 176.35 176.46 2yuz s VAL 64 N 1.46 0.95 -0.04 1.68 -7.23 -1.11 -0.04 120.40 116.08 2yuz s VAL 64 Ca -0.07 -1.47 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2yuz s VAL 64 Cb -0.11 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2yuz s VAL 64 CO -0.07 -0.44 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.52 2yuz s ILE 65 N -1.96 3.16 0.08 -0.62 1.01 -0.97 -2.89 121.20 119.01 2yuz s ILE 65 Ca 0.01 -0.75 -0.35 0.00 0.00 0.00 0.00 60.65 59.57 2yuz s ILE 65 Cb -0.06 -2.27 -0.17 0.00 0.01 0.00 0.00 42.46 39.97 2yuz s ILE 65 CO 0.01 0.55 1.54 0.00 0.00 0.00 0.00 174.94 177.04 2yuz h ALA 66 N 5.17 -1.16 -3.27 9.38 0.00 -1.69 -2.57 119.26 125.11 2yuz h ALA 66 Ca -0.47 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 2yuz h ALA 66 Cb 1.16 0.70 -0.37 0.00 0.00 0.00 0.00 17.79 19.28 2yuz h ALA 66 CO 0.51 -1.18 -0.81 -0.80 0.00 0.00 0.00 179.25 176.96 2yuz s ASN 67 N -4.25 2.78 -0.58 0.00 -0.87 -1.26 -4.27 114.94 106.50 2yuz s ASN 67 Ca -0.17 -0.60 -0.26 0.00 -1.57 0.00 0.00 52.86 50.26 2yuz s ASN 67 Cb 0.04 -1.03 -0.06 0.00 -0.02 0.00 0.00 41.25 40.18 2yuz s ASN 67 CO 0.58 -0.13 2.22 0.00 -2.57 0.00 0.00 177.10 177.20 2yuz s ALA 68 N 1.56 1.68 0.22 0.60 0.00 0.12 -4.78 121.76 121.16 2yuz s ALA 68 Ca 0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 2yuz s ALA 68 Cb -0.14 -4.37 -0.07 0.00 0.00 0.00 0.00 23.12 18.54 2yuz s ALA 68 CO -0.09 -4.48 0.51 -0.51 0.00 0.00 0.00 175.76 171.19 2yuz s LEU 69 N 11.47 4.17 0.36 0.00 1.43 -1.26 -1.21 118.68 133.64 2yuz s LEU 69 Ca 0.86 0.82 0.17 0.00 -1.03 0.00 0.00 54.13 54.95 2yuz s LEU 69 Cb -0.15 -3.58 1.16 0.00 0.03 0.00 0.00 46.19 43.65 2yuz s LEU 69 CO 0.21 -0.06 1.65 0.74 0.23 0.00 0.00 176.35 179.12 2yuz h THR 70 N 1.92 0.24 -0.97 5.49 2.02 -1.95 0.71 112.91 120.37 2yuz h THR 70 Ca -0.47 -0.09 0.18 0.00 0.77 0.00 0.00 66.41 66.81 2yuz h THR 70 Cb 1.17 -0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 2yuz h THR 70 CO 0.69 0.05 0.61 1.05 0.37 0.00 0.00 175.52 178.29 2yuz h GLU 71 N 0.26 0.68 -1.02 6.66 -0.00 -1.99 0.11 114.58 119.28 2yuz h GLU 71 Ca 0.76 -0.04 0.30 0.00 -0.00 0.00 0.00 59.36 60.37 2yuz h GLU 71 Cb 1.83 -0.15 -0.04 0.00 -0.00 0.00 0.00 28.75 30.39 2yuz h GLU 71 CO -0.61 0.45 0.86 0.38 -0.00 0.00 0.00 179.01 180.09 2yuz h ASP 72 N 0.70 0.00 -2.83 3.06 3.04 0.06 -3.40 116.42 117.06 2yuz h ASP 72 Ca 0.53 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.80 2yuz h ASP 72 Cb 0.91 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 39.24 2yuz h ASP 72 CO -0.30 0.00 0.88 -0.70 -2.04 0.00 0.00 179.24 177.08 2yuz s GLU 73 N -4.76 4.21 0.00 4.15 2.12 0.38 -4.67 118.70 120.13 2yuz s GLU 73 Ca -0.04 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.66 2yuz s GLU 73 Cb 0.20 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2yuz s GLU 73 CO 0.68 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 2yuz n GLY 74 N 3.73 -0.47 3.02 -1.50 0.00 -1.26 -5.02 105.19 103.68 2yuz n GLY 74 Ca 0.14 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 2yuz n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2yuz s ASP 75 N -4.00 0.31 -0.07 1.61 -4.77 -1.26 -3.76 116.67 104.74 2yuz s ASP 75 Ca 0.00 0.51 -0.19 0.00 -3.30 0.00 0.00 52.55 49.57 2yuz s ASP 75 Cb 0.00 0.90 -0.05 0.00 -1.09 0.00 0.00 42.92 42.69 2yuz s ASP 75 CO 0.00 -0.26 0.54 -0.31 0.70 0.00 0.00 175.17 175.84 2yuz s TYR 76 N 2.48 3.59 -0.02 2.11 1.51 -0.42 -1.99 117.35 124.61 2yuz s TYR 76 Ca 0.04 1.04 0.02 0.00 -1.01 0.00 0.00 57.07 57.16 2yuz s TYR 76 Cb -0.13 -2.58 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 2yuz s TYR 76 CO -0.11 0.25 -0.07 0.08 -1.11 0.00 0.00 175.55 174.58 2yuz s VAL 77 N 0.26 0.64 0.08 0.71 1.01 0.93 -0.52 120.40 123.51 2yuz s VAL 77 Ca 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2yuz s VAL 77 Cb -0.17 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2yuz s VAL 77 CO 0.14 0.21 0.19 0.12 0.00 0.00 0.00 175.10 175.75 2yuz s PHE 78 N 0.20 3.43 -0.24 5.22 5.36 -1.12 0.44 117.98 131.28 2yuz s PHE 78 Ca -0.03 0.18 -0.03 0.00 -0.96 0.00 0.00 56.93 56.10 2yuz s PHE 78 Cb -0.08 -1.71 0.12 0.00 -0.34 0.00 0.00 43.02 41.02 2yuz s PHE 78 CO 0.00 0.56 0.34 0.00 -1.46 0.00 0.00 175.22 174.66 2yuz s ALA 79 N -1.53 -0.89 0.46 11.12 0.00 0.45 -2.80 121.76 128.58 2yuz s ALA 79 Ca 0.34 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 2yuz s ALA 79 Cb -0.12 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 2yuz s ALA 79 CO 0.27 -1.27 1.16 -1.25 0.00 0.00 0.00 175.76 174.67 2yuz s PRO 80 N 2.49 3.76 -0.01 0.00 0.04 -1.26 -0.71 135.00 139.31 2yuz s PRO 80 Ca 0.11 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.94 2yuz s PRO 80 Cb -0.15 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.03 2yuz s PRO 80 CO -0.16 -0.55 0.91 -0.25 0.04 0.00 0.00 177.00 176.99 2yuz n ASP 81 N -0.49 0.60 -0.00 6.66 9.92 -0.93 -3.24 116.55 129.07 2yuz n ASP 81 Ca 0.07 -2.02 -0.00 0.00 -0.53 0.00 0.00 54.79 52.31 2yuz n ASP 81 Cb 0.48 -0.18 -0.00 0.00 -0.64 0.00 0.00 41.12 40.78 2yuz n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yuz n ALA 82 N -0.23 1.99 -2.43 2.24 0.00 -1.26 -5.06 120.51 115.76 2yuz n ALA 82 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 2yuz n ALA 82 Cb 0.13 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.02 1.77 -0.48 0.00 1.51 -1.20 -5.06 117.35 111.88 2yuz s TYR 83 Ca -0.00 -1.17 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 2yuz s TYR 83 Cb 0.00 -1.11 0.48 0.00 -0.11 0.00 0.00 41.96 41.22 2yuz s TYR 83 CO 0.03 -0.23 1.66 0.27 -1.11 0.00 0.00 175.55 176.16 2yuz n ASN 84 N -0.89 5.81 -4.91 2.29 6.94 -1.26 -4.24 115.26 119.00 2yuz n ASN 84 Ca -0.03 -3.77 -0.27 0.00 -0.02 0.00 0.00 54.58 50.49 2yuz n ASN 84 Cb 0.66 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 2yuz n ASN 84 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2yuz s VAL 85 N -4.45 4.72 -0.04 3.53 0.11 -1.26 -5.06 120.40 117.95 2yuz s VAL 85 Ca 0.57 0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 59.80 2yuz s VAL 85 Cb 0.46 -3.81 0.03 0.00 -1.53 0.00 0.00 36.38 31.54 2yuz s VAL 85 CO 0.02 -0.81 0.07 0.42 -3.33 0.00 0.00 175.10 171.46 2yuz s THR 86 N -2.80 -0.11 -0.46 5.04 -4.23 -1.26 -4.37 115.64 107.45 2yuz s THR 86 Ca 0.49 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 61.25 2yuz s THR 86 Cb -0.10 -0.15 0.09 0.00 1.34 0.00 0.00 72.50 73.67 2yuz s THR 86 CO 0.45 0.16 0.35 -0.76 -0.54 0.00 0.00 174.62 174.28 2yuz s LEU 87 N 1.96 5.54 0.31 4.79 1.02 -1.12 -4.91 118.68 126.27 2yuz s LEU 87 Ca 0.02 -1.55 -0.29 0.00 0.02 0.00 0.00 54.13 52.33 2yuz s LEU 87 Cb -0.12 -2.09 -0.10 0.00 0.02 0.00 0.00 46.19 43.90 2yuz s LEU 87 CO -0.03 -0.64 1.23 -2.16 0.02 0.00 0.00 176.35 174.76 2yuz s PRO 88 N 1.51 4.46 -0.09 1.29 0.04 -1.26 -2.79 135.00 138.17 2yuz s PRO 88 Ca 0.04 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 2yuz s PRO 88 Cb -0.25 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2yuz s PRO 88 CO 0.03 -0.04 0.21 0.00 0.04 0.00 0.00 177.00 177.24 2yuz s ALA 89 N -1.08 -0.47 0.23 8.56 0.00 0.32 -4.71 121.76 124.60 2yuz s ALA 89 Ca 0.48 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 53.08 2yuz s ALA 89 Cb -0.37 -0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 2yuz s ALA 89 CO 0.48 -0.15 0.60 0.15 0.00 0.00 0.00 175.76 176.84 2yuz s LYS 90 N 0.81 3.92 0.05 0.00 1.02 -1.26 -1.30 119.74 122.99 2yuz s LYS 90 Ca -0.06 0.46 -0.03 0.00 0.02 0.00 0.00 55.97 56.36 2yuz s LYS 90 Cb -0.07 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2yuz s LYS 90 CO -0.05 0.33 0.03 0.14 -0.92 0.00 0.00 175.35 174.89 2yuz s VAL 91 N -1.73 0.19 -0.21 3.17 -7.23 -1.25 -1.95 120.40 111.39 2yuz s VAL 91 Ca 0.46 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.94 2yuz s VAL 91 Cb -0.12 -1.33 0.06 0.00 0.56 0.00 0.00 36.38 35.55 2yuz s VAL 91 CO 0.20 -0.85 0.53 -2.28 -0.31 0.00 0.00 175.10 172.38 2yuz s HIS 92 N -3.60 -0.70 -0.11 2.82 5.04 -1.19 -4.27 115.29 113.29 2yuz s HIS 92 Ca 0.04 1.54 0.01 0.00 -1.54 0.00 0.00 55.06 55.11 2yuz s HIS 92 Cb 0.05 0.33 -0.02 0.00 0.04 0.00 0.00 32.58 32.98 2yuz s HIS 92 CO -0.09 -0.36 -0.15 0.54 -2.34 0.00 0.00 174.74 172.34 2yuz s VAL 93 N 1.00 2.90 0.15 0.89 0.11 -1.26 -2.97 120.40 121.21 2yuz s VAL 93 Ca -0.06 -0.73 -0.23 0.00 -2.93 0.00 0.00 61.98 58.03 2yuz s VAL 93 Cb -0.06 -2.18 -0.08 0.00 -1.53 0.00 0.00 36.38 32.53 2yuz s VAL 93 CO -0.09 0.54 0.71 -0.63 -3.33 0.00 0.00 175.10 172.31 2yuz s ILE 94 N 0.11 4.49 0.38 7.04 1.01 -1.08 -4.93 121.20 128.22 2yuz s ILE 94 Ca -0.07 1.52 0.08 0.00 0.00 0.00 0.00 60.65 62.18 2yuz s ILE 94 Cb -0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2yuz s ILE 94 CO 0.05 0.49 0.32 -0.94 0.00 0.00 0.00 174.94 174.86 2yuz s SER 95 N -1.20 5.11 0.00 3.58 1.04 -1.26 -3.01 113.70 117.96 2yuz s SER 95 Ca 0.35 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2yuz s SER 95 Cb -0.21 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2yuz s SER 95 CO 0.24 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2yuz n GLY 96 N -1.44 2.47 3.67 7.32 0.00 -1.26 -5.01 105.19 110.94 2yuz n GLY 96 Ca 0.01 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 4.22 -0.59 1.61 0.04 -1.26 -4.98 135.00 132.04 2yuz s PRO 97 Ca 0.00 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 2yuz s PRO 97 Cb 0.00 -3.80 0.15 0.00 0.04 0.00 0.00 34.50 30.89 2yuz s PRO 97 CO 0.00 -0.73 0.54 -1.12 0.04 0.00 0.00 177.00 175.72 2yuz s SER 98 N 2.57 6.24 -0.04 6.66 0.01 -1.26 -4.92 113.70 122.96 2yuz s SER 98 Ca 0.66 -1.99 -0.25 0.00 1.31 0.00 0.00 55.95 55.68 2yuz s SER 98 Cb -0.30 -2.18 -0.21 0.00 0.21 0.00 0.00 66.02 63.53 2yuz s SER 98 CO 0.25 -0.78 1.13 0.28 0.41 0.00 0.00 173.24 174.54 2yuz h SER 99 N 8.60 0.12 -0.00 2.44 0.02 -2.07 -3.57 113.55 119.08 2yuz h SER 99 Ca -0.21 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2yuz h SER 99 Cb 1.08 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2yuz h SER 99 CO 0.96 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 178.01