#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 4.66 -0.98 1.61 0.01 -1.26 -4.88 113.70 112.87 2yuz s SER 2 Ca 0.00 0.99 -0.24 0.00 1.31 0.00 0.00 55.95 58.02 2yuz s SER 2 Cb 0.00 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.76 2yuz s SER 2 CO 0.00 -2.72 1.49 -0.55 0.41 0.00 0.00 173.24 171.87 2yuz s SER 3 N 11.14 6.31 0.00 2.44 0.15 -1.26 -4.78 113.70 127.71 2yuz s SER 3 Ca 0.92 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2yuz s SER 3 Cb -0.17 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2yuz s SER 3 CO 0.26 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.63 2yuz n GLY 4 N 6.73 3.18 3.88 9.45 0.00 -1.26 -5.16 105.19 122.01 2yuz n GLY 4 Ca 0.31 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 1.00 5.47 0.00 1.61 0.15 -1.26 -5.03 113.70 115.64 2yuz s SER 5 Ca 0.00 -0.40 0.16 0.00 0.70 0.00 0.00 55.95 56.41 2yuz s SER 5 Cb 0.00 -1.09 -0.15 0.00 -1.71 0.00 0.00 66.02 63.08 2yuz s SER 5 CO 0.00 -0.33 0.72 -1.54 1.20 0.00 0.00 173.24 173.29 2yuz n SER 6 N -1.41 0.91 0.00 5.45 3.41 -1.26 -5.07 113.62 115.66 2yuz n SER 6 Ca -0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 2yuz n SER 6 Cb 0.59 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 2yuz n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuz n GLY 7 N 1.35 -1.05 3.28 5.00 0.00 -1.26 -5.13 105.19 107.38 2yuz n GLY 7 Ca 0.04 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 3.00 -0.43 0.99 2.96 -1.26 -4.98 118.68 118.96 2yuz s LEU 8 Ca 0.00 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 2yuz s LEU 8 Cb 0.00 -1.73 0.10 0.00 0.50 0.00 0.00 46.19 45.06 2yuz s LEU 8 CO 0.00 -0.06 0.26 -0.75 -1.32 0.00 0.00 176.35 174.49 2yuz s LYS 9 N 1.44 2.42 0.08 1.98 2.20 -1.26 -5.01 119.74 121.59 2yuz s LYS 9 Ca 0.04 -1.63 -0.31 0.00 -0.36 0.00 0.00 55.97 53.71 2yuz s LYS 9 Cb -0.15 -3.76 -0.10 0.00 -1.51 0.00 0.00 37.83 32.31 2yuz s LYS 9 CO -0.03 -1.05 1.90 -0.89 -0.36 0.00 0.00 175.35 174.92 2yuz n ILE 10 N 4.83 0.54 -0.09 5.43 5.41 -1.26 -2.94 119.36 131.28 2yuz n ILE 10 Ca -0.08 -0.10 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 2yuz n ILE 10 Cb 0.42 -2.20 -0.08 0.00 -0.71 0.00 0.00 39.64 37.07 2yuz n ILE 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2yuz h LEU 11 N 9.44 0.00 -7.19 1.39 3.38 -1.77 -3.45 115.31 117.12 2yuz h LEU 11 Ca -0.48 -0.32 -0.63 0.00 0.09 0.00 0.00 57.88 56.55 2yuz h LEU 11 Cb 1.23 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.58 2yuz h LEU 11 CO 0.94 1.21 -0.69 -0.89 0.09 0.00 0.00 178.44 179.10 2yuz s THR 12 N -2.31 1.97 0.47 0.22 2.01 -0.80 -4.94 115.64 112.26 2yuz s THR 12 Ca -0.23 -2.90 -0.23 0.00 0.31 0.00 0.00 61.69 58.64 2yuz s THR 12 Cb 0.04 -2.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.10 2yuz s THR 12 CO 0.45 -0.84 1.16 -2.16 -0.69 0.00 0.00 174.62 172.54 2yuz s PRO 13 N 0.07 3.71 0.70 4.92 0.04 -1.26 -1.12 135.00 142.06 2yuz s PRO 13 Ca 0.17 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 2yuz s PRO 13 Cb -0.25 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 2yuz s PRO 13 CO -0.00 -0.59 0.85 1.28 0.04 0.00 0.00 177.00 178.58 2yuz n LEU 14 N -0.58 2.84 -4.55 -3.56 4.77 -1.26 -4.94 117.00 109.72 2yuz n LEU 14 Ca 0.08 0.67 -0.26 0.00 -0.03 0.00 0.00 56.01 56.47 2yuz n LEU 14 Cb 0.48 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.11 2yuz n LEU 14 CO 0.47 -2.30 -0.33 0.42 -1.33 0.00 0.00 177.39 174.32 2yuz s THR 15 N -1.79 1.97 -0.09 -5.08 -4.23 -1.26 -4.90 115.64 100.26 2yuz s THR 15 Ca 0.72 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 2yuz s THR 15 Cb -0.36 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 2yuz s THR 15 CO 0.52 -0.12 1.07 1.51 -0.54 0.00 0.00 174.62 177.06 2yuz s ASP 16 N -3.62 7.18 -0.06 3.99 1.47 -1.26 -4.63 116.67 119.74 2yuz s ASP 16 Ca 0.33 1.63 0.04 0.00 1.18 0.00 0.00 52.55 55.74 2yuz s ASP 16 Cb 0.06 -2.56 -0.00 0.00 -0.34 0.00 0.00 42.92 40.08 2yuz s ASP 16 CO 0.16 -0.49 -0.19 -1.10 0.68 0.00 0.00 175.17 174.23 2yuz s GLN 17 N 2.07 2.23 -0.16 2.11 1.11 -1.09 -5.02 119.66 120.91 2yuz s GLN 17 Ca 0.51 -0.69 0.00 0.00 0.01 0.00 0.00 55.36 55.19 2yuz s GLN 17 Cb -0.20 -1.82 0.03 0.00 -1.01 0.00 0.00 33.01 30.00 2yuz s GLN 17 CO 0.19 0.21 -0.13 0.99 0.01 0.00 0.00 175.29 176.57 2yuz s THR 18 N 0.20 1.55 0.16 -0.19 2.01 -1.26 -3.42 115.64 114.68 2yuz s THR 18 Ca -0.10 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2yuz s THR 18 Cb -0.14 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2yuz s THR 18 CO 0.04 0.37 -0.05 0.68 -0.69 0.00 0.00 174.62 174.98 2yuz s VAL 19 N 1.48 0.90 0.66 3.82 -7.23 -1.16 -5.01 120.40 113.86 2yuz s VAL 19 Ca 0.03 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 2yuz s VAL 19 Cb -0.14 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 2yuz s VAL 19 CO -0.10 -0.62 1.05 0.20 -0.31 0.00 0.00 175.10 175.32 2yuz s ASN 20 N -3.17 5.67 0.22 4.85 -0.87 -1.26 -2.58 114.94 117.80 2yuz s ASN 20 Ca 0.20 1.58 -0.32 0.00 -1.57 0.00 0.00 52.86 52.75 2yuz s ASN 20 Cb 0.05 -2.49 -0.13 0.00 -0.02 0.00 0.00 41.25 38.66 2yuz s ASN 20 CO 0.02 -1.25 1.58 -0.11 -2.57 0.00 0.00 177.10 174.77 2yuz n LEU 21 N -2.90 3.66 0.00 0.60 7.94 -0.63 -1.53 117.00 124.15 2yuz n LEU 21 Ca 0.07 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2yuz n LEU 21 Cb 0.54 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.98 2yuz n LEU 21 CO 0.55 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 2yuz n GLY 22 N 2.96 3.10 3.13 -3.96 0.00 0.72 -4.90 105.19 106.23 2yuz n GLY 22 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.89 -3.06 -3.64 1.61 4.76 -0.58 -3.68 118.16 112.67 2yuz n LYS 23 Ca 0.00 -0.90 -0.39 0.00 -2.87 0.00 0.00 58.31 54.15 2yuz n LYS 23 Cb 0.00 -1.67 -0.09 0.00 -1.84 0.00 0.00 35.03 31.43 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 -4.02 2.53 0.33 1.97 2.12 -1.26 -0.98 118.70 119.39 2yuz s GLU 24 Ca 0.49 -2.14 -0.29 0.00 0.36 0.00 0.00 54.97 53.39 2yuz s GLU 24 Cb -0.10 -3.83 -0.10 0.00 0.26 0.00 0.00 34.13 30.36 2yuz s GLU 24 CO 0.45 -1.17 1.30 0.42 -0.54 0.00 0.00 175.26 175.72 2yuz s ILE 25 N 0.64 2.74 -0.04 -3.70 1.01 -0.92 -4.81 121.20 116.13 2yuz s ILE 25 Ca 0.12 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.50 2yuz s ILE 25 Cb -0.21 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2yuz s ILE 25 CO -0.03 0.18 0.08 0.00 0.00 0.00 0.00 174.94 175.16 2yuz s LEU 27 N 0.76 1.29 -0.01 0.00 1.43 -0.65 -4.96 118.68 116.53 2yuz s LEU 27 Ca -0.06 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2yuz s LEU 27 Cb -0.08 -0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 2yuz s LEU 27 CO -0.03 -0.10 -0.09 -0.75 0.23 0.00 0.00 176.35 175.61 2yuz s LYS 28 N 0.80 0.78 0.01 1.70 2.20 -1.26 -0.42 119.74 123.55 2yuz s LYS 28 Ca -0.07 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2yuz s LYS 28 Cb -0.09 -0.75 -0.01 0.00 -1.51 0.00 0.00 37.83 35.47 2yuz s LYS 28 CO -0.02 0.20 -0.02 0.00 -0.36 0.00 0.00 175.35 175.14 2yuz s GLU 30 N -0.63 2.28 0.08 0.00 2.12 -0.28 -1.89 118.70 120.39 2yuz s GLU 30 Ca -0.06 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.41 2yuz s GLU 30 Cb -0.04 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 2yuz s GLU 30 CO -0.00 0.56 -0.06 0.96 -0.54 0.00 0.00 175.26 176.18 2yuz s ILE 31 N -0.97 0.58 -0.55 -3.70 -4.36 -1.13 -1.91 121.20 109.17 2yuz s ILE 31 Ca 0.16 -1.76 -0.03 0.00 -0.26 0.00 0.00 60.65 58.77 2yuz s ILE 31 Cb -0.11 -1.46 0.22 0.00 1.25 0.00 0.00 42.46 42.36 2yuz s ILE 31 CO 0.07 -0.81 2.34 -0.24 0.24 0.00 0.00 174.94 176.53 2yuz n SER 32 N 0.25 6.90 -3.64 4.36 2.88 -1.15 -4.83 113.62 118.39 2yuz n SER 32 Ca -0.14 -3.41 -0.04 0.00 -1.33 0.00 0.00 58.87 53.95 2yuz n SER 32 Cb 0.60 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.87 2yuz n SER 32 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2yuz s GLU 33 N -2.59 0.40 -1.14 -1.46 2.56 -1.26 -4.69 118.70 110.52 2yuz s GLU 33 Ca 0.52 0.63 -0.16 0.00 0.00 0.00 0.00 54.97 55.97 2yuz s GLU 33 Cb 0.39 0.11 0.15 0.00 2.00 0.00 0.00 34.13 36.78 2yuz s GLU 33 CO -0.19 -0.07 1.39 1.21 -0.56 0.00 0.00 175.26 177.03 2yuz s ASN 34 N 1.06 6.92 0.02 -1.70 3.84 -1.26 -4.73 114.94 119.09 2yuz s ASN 34 Ca -0.06 -2.66 -0.01 0.00 0.21 0.00 0.00 52.86 50.35 2yuz s ASN 34 Cb -0.04 -2.42 -0.02 0.00 -0.55 0.00 0.00 41.25 38.21 2yuz s ASN 34 CO -0.13 -0.89 -0.02 0.27 -2.79 0.00 0.00 177.10 173.54 2yuz s ILE 35 N 2.22 0.13 0.58 -5.21 -4.36 -1.26 -5.04 121.20 108.26 2yuz s ILE 35 Ca 0.41 -1.06 -0.18 0.00 -0.26 0.00 0.00 60.65 59.57 2yuz s ILE 35 Cb -0.03 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.16 2yuz s ILE 35 CO -0.02 -0.58 1.12 -2.16 0.24 0.00 0.00 174.94 173.54 2yuz s PRO 36 N -1.89 3.17 0.03 0.37 0.04 -1.26 -4.88 135.00 130.57 2yuz s PRO 36 Ca -0.12 1.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 2yuz s PRO 36 Cb -0.07 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2yuz s PRO 36 CO -0.02 -0.98 0.30 0.20 0.04 0.00 0.00 177.00 176.54 2yuz s GLY 37 N -2.05 -0.12 0.03 0.56 0.00 -1.26 -0.20 107.32 104.27 2yuz s GLY 37 Ca 0.71 0.08 0.08 0.00 0.00 0.00 0.00 44.72 45.59 2yuz s GLY 37 CO 0.32 -0.13 -0.23 0.54 0.00 0.00 0.00 173.10 173.59 2yuz s LYS 38 N -2.24 1.65 0.24 2.90 1.02 -0.59 -4.91 119.74 117.81 2yuz s LYS 38 Ca -0.07 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 54.92 2yuz s LYS 38 Cb -0.02 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 2yuz s LYS 38 CO -0.01 0.45 0.47 -1.58 -0.92 0.00 0.00 175.35 173.76 2yuz s TRP 39 N -0.73 3.48 -0.02 3.18 0.52 -1.26 -1.98 118.94 122.13 2yuz s TRP 39 Ca 0.09 0.49 -0.01 0.00 0.02 0.00 0.00 56.10 56.69 2yuz s TRP 39 Cb -0.09 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 2yuz s TRP 39 CO 0.01 0.28 0.04 0.95 0.02 0.00 0.00 176.95 178.25 2yuz s THR 40 N -1.97 -0.01 -0.00 2.01 -4.23 0.11 -2.88 115.64 108.67 2yuz s THR 40 Ca 0.41 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 2yuz s THR 40 Cb -0.11 -0.07 -0.03 0.00 1.34 0.00 0.00 72.50 73.63 2yuz s THR 40 CO 0.29 0.01 -0.10 -0.75 -0.54 0.00 0.00 174.62 173.54 2yuz s LYS 41 N 0.17 2.47 -1.45 3.99 2.20 0.14 -0.93 119.74 126.34 2yuz s LYS 41 Ca -0.01 -0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 54.71 2yuz s LYS 41 Cb -0.02 -2.43 0.14 0.00 -1.51 0.00 0.00 37.83 34.01 2yuz s LYS 41 CO -0.00 0.60 0.35 0.09 -0.36 0.00 0.00 175.35 176.03 2yuz n ASN 42 N 1.71 -0.87 -2.68 1.43 4.13 -0.84 0.15 115.26 118.29 2yuz n ASN 42 Ca -0.16 -1.01 -0.14 0.00 1.68 0.00 0.00 54.58 54.95 2yuz n ASN 42 Cb 0.52 -1.29 0.06 0.00 -1.54 0.00 0.00 39.78 37.54 2yuz n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuz n GLY 43 N -1.31 -0.11 3.28 7.41 0.00 -1.26 -5.04 105.19 108.17 2yuz n GLY 43 Ca -0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.20 0.62 -0.54 0.99 1.43 0.39 -5.11 118.68 111.26 2yuz s LEU 44 Ca 0.18 0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 2yuz s LEU 44 Cb -0.08 1.46 -0.02 0.00 0.03 0.00 0.00 46.19 47.59 2yuz s LEU 44 CO 0.51 -0.47 1.82 -2.16 0.23 0.00 0.00 176.35 176.28 2yuz s PRO 45 N -1.29 2.84 0.26 1.29 0.04 -1.26 0.27 135.00 137.15 2yuz s PRO 45 Ca -0.13 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 2yuz s PRO 45 Cb -0.04 -4.32 -0.15 0.00 0.04 0.00 0.00 34.50 30.03 2yuz s PRO 45 CO 0.05 -2.47 0.99 0.28 0.04 0.00 0.00 177.00 175.88 2yuz n VAL 46 N 7.25 1.82 -3.52 -0.36 0.31 -1.14 -4.91 118.33 117.78 2yuz n VAL 46 Ca 0.21 -0.45 -0.38 0.00 -0.01 0.00 0.00 64.34 63.71 2yuz n VAL 46 Cb 0.51 -0.87 -0.09 0.00 -0.91 0.00 0.00 33.84 32.47 2yuz n VAL 46 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2yuz s GLN 47 N -1.31 4.07 0.15 5.55 0.74 -1.26 -4.98 119.66 122.62 2yuz s GLN 47 Ca 0.61 -0.09 -0.30 0.00 0.05 0.00 0.00 55.36 55.63 2yuz s GLN 47 Cb -0.75 -3.58 -0.07 0.00 1.10 0.00 0.00 33.01 29.71 2yuz s GLN 47 CO 0.58 -0.07 1.02 -1.21 -0.55 0.00 0.00 175.29 175.06 2yuz s GLU 48 N 1.45 4.66 0.23 1.67 2.02 -1.26 -4.88 118.70 122.60 2yuz s GLU 48 Ca 0.12 1.56 -0.04 0.00 0.02 0.00 0.00 54.97 56.63 2yuz s GLU 48 Cb -0.15 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2yuz s GLU 48 CO 0.08 0.17 0.27 -1.12 0.02 0.00 0.00 175.26 174.68 2yuz s SER 49 N -0.11 0.22 0.33 -0.19 0.01 -0.19 -4.96 113.70 108.81 2yuz s SER 49 Ca 0.48 -1.28 0.10 0.00 1.31 0.00 0.00 55.95 56.56 2yuz s SER 49 Cb -0.26 0.48 0.98 0.00 0.21 0.00 0.00 66.02 67.43 2yuz s SER 49 CO 0.32 -0.98 1.63 0.44 0.41 0.00 0.00 173.24 175.06 2yuz h ASP 50 N 2.44 0.20 0.06 2.44 3.32 -2.03 -0.37 116.42 122.48 2yuz h ASP 50 Ca -0.32 0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2yuz h ASP 50 Cb 1.25 0.24 0.01 0.00 0.22 0.00 0.00 39.33 41.05 2yuz h ASP 50 CO 0.45 -0.22 -0.38 0.08 -1.72 0.00 0.00 179.24 177.45 2yuz h ARG 51 N 0.19 0.12 -5.70 3.56 0.11 -1.97 -3.42 114.38 107.28 2yuz h ARG 51 Ca 0.68 -0.21 -0.61 0.00 0.10 0.00 0.00 59.98 59.94 2yuz h ARG 51 Cb 1.55 0.08 -0.13 0.00 1.11 0.00 0.00 29.97 32.59 2yuz h ARG 51 CO -0.69 1.10 0.78 -1.17 0.10 0.00 0.00 179.97 180.09 2yuz s LEU 52 N -8.07 4.05 -0.12 0.08 0.20 -0.15 -3.36 118.68 111.32 2yuz s LEU 52 Ca -0.17 -0.98 0.01 0.00 0.69 0.00 0.00 54.13 53.68 2yuz s LEU 52 Cb -0.01 -2.47 -0.01 0.00 -0.43 0.00 0.00 46.19 43.27 2yuz s LEU 52 CO 0.75 -1.52 -0.15 -0.75 -0.29 0.00 0.00 176.35 174.39 2yuz s LYS 53 N 4.46 3.30 -0.48 1.98 2.47 -1.25 -1.02 119.74 129.20 2yuz s LYS 53 Ca 0.28 -0.72 -0.13 0.00 -1.56 0.00 0.00 55.97 53.85 2yuz s LYS 53 Cb -0.12 -2.57 0.10 0.00 -1.46 0.00 0.00 37.83 33.78 2yuz s LYS 53 CO 0.08 0.23 0.39 0.08 0.16 0.00 0.00 175.35 176.29 2yuz s VAL 54 N 0.30 4.77 -0.12 4.02 1.01 -1.26 -4.04 120.40 125.08 2yuz s VAL 54 Ca -0.11 -1.45 -0.09 0.00 0.00 0.00 0.00 61.98 60.33 2yuz s VAL 54 Cb -0.16 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2yuz s VAL 54 CO 0.06 -0.70 0.17 -0.69 0.00 0.00 0.00 175.10 173.94 2yuz s VAL 55 N 1.52 5.43 -0.06 2.92 1.01 -0.81 -5.01 120.40 125.40 2yuz s VAL 55 Ca 0.04 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2yuz s VAL 55 Cb -0.26 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 2yuz s VAL 55 CO 0.03 0.58 -0.20 -1.58 0.00 0.00 0.00 175.10 173.92 2yuz s GLN 56 N -0.76 2.17 -0.42 2.72 0.74 -1.26 -1.18 119.66 121.67 2yuz s GLN 56 Ca 0.15 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.87 2yuz s GLN 56 Cb -0.12 -1.82 0.12 0.00 1.10 0.00 0.00 33.01 32.28 2yuz s GLN 56 CO 0.04 0.26 0.16 0.15 -0.55 0.00 0.00 175.29 175.36 2yuz s LYS 57 N 0.05 1.60 2.12 1.67 -0.14 0.64 -4.98 119.74 120.70 2yuz s LYS 57 Ca -0.06 -2.14 0.00 0.00 -1.36 0.00 0.00 55.97 52.41 2yuz s LYS 57 Cb -0.13 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 2yuz s LYS 57 CO 0.04 -1.04 0.00 0.41 -0.76 0.00 0.00 175.35 174.00 2yuz n GLY 58 N 3.75 0.37 2.42 -3.33 0.00 -1.26 -0.97 105.19 106.18 2yuz n GLY 58 Ca 0.04 0.64 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 2yuz n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuz n ARG 59 N 0.00 3.15 -3.71 1.61 1.74 -1.26 -4.46 116.66 113.72 2yuz n ARG 59 Ca 0.00 -3.90 -0.12 0.00 -0.77 0.00 0.00 57.85 53.06 2yuz n ARG 59 Cb 0.00 -2.27 -0.10 0.00 -1.02 0.00 0.00 32.46 29.07 2yuz n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2yuz s ILE 60 N -5.01 -0.01 -0.29 0.55 1.01 -0.15 -2.82 121.20 114.48 2yuz s ILE 60 Ca 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 61.23 2yuz s ILE 60 Cb 0.44 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 42.34 2yuz s ILE 60 CO -0.14 0.02 -0.03 -1.00 0.00 0.00 0.00 174.94 173.79 2yuz s HIS 61 N 0.84 3.27 -0.14 3.97 3.76 -0.79 -0.26 115.29 125.94 2yuz s HIS 61 Ca -0.05 -2.01 -0.04 0.00 -0.15 0.00 0.00 55.06 52.81 2yuz s HIS 61 Cb -0.06 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2yuz s HIS 61 CO -0.06 -0.83 -0.01 0.21 -0.85 0.00 0.00 174.74 173.19 2yuz s LYS 62 N 1.21 3.52 -0.22 1.40 2.20 -0.32 -2.45 119.74 125.08 2yuz s LYS 62 Ca -0.06 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 2yuz s LYS 62 Cb -0.20 -2.92 0.08 0.00 -1.51 0.00 0.00 37.83 33.28 2yuz s LYS 62 CO -0.02 0.38 0.10 -1.17 -0.36 0.00 0.00 175.35 174.27 2yuz s LEU 63 N 0.01 0.63 -0.07 5.43 0.20 0.44 -1.92 118.68 123.40 2yuz s LEU 63 Ca 0.02 -0.92 0.05 0.00 0.69 0.00 0.00 54.13 53.97 2yuz s LEU 63 Cb -0.13 -0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 2yuz s LEU 63 CO 0.02 -0.38 -0.24 0.68 -0.29 0.00 0.00 176.35 176.15 2yuz s VAL 64 N 2.06 1.99 0.02 1.68 -7.23 -1.26 -1.64 120.40 116.02 2yuz s VAL 64 Ca 0.04 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.09 2yuz s VAL 64 Cb -0.16 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 2yuz s VAL 64 CO -0.19 0.55 0.36 -0.63 -0.31 0.00 0.00 175.10 174.88 2yuz s ILE 65 N 0.01 5.14 -0.04 -0.62 1.01 0.26 -4.13 121.20 122.84 2yuz s ILE 65 Ca -0.08 0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.90 2yuz s ILE 65 Cb -0.15 -3.63 -0.13 0.00 0.01 0.00 0.00 42.46 38.56 2yuz s ILE 65 CO 0.05 0.44 0.81 0.00 0.00 0.00 0.00 174.94 176.23 2yuz h ALA 66 N 4.23 -0.39 -3.67 9.38 0.00 -1.84 -2.44 119.26 124.53 2yuz h ALA 66 Ca -0.51 -0.18 -0.67 0.00 0.00 0.00 0.00 54.91 53.55 2yuz h ALA 66 Cb 1.21 0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.79 2yuz h ALA 66 CO 0.64 -0.43 -0.73 -0.80 0.00 0.00 0.00 179.25 177.93 2yuz s ASN 67 N -5.18 4.71 -0.40 0.00 0.01 -1.26 -3.99 114.94 108.84 2yuz s ASN 67 Ca -0.11 -1.57 -0.28 0.00 -0.71 0.00 0.00 52.86 50.19 2yuz s ASN 67 Cb 0.01 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 40.01 2yuz s ASN 67 CO 0.38 -0.28 1.88 0.00 -1.51 0.00 0.00 177.10 177.57 2yuz s ALA 68 N 1.11 2.62 -0.07 0.60 0.00 -0.15 -4.78 121.76 121.09 2yuz s ALA 68 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 2yuz s ALA 68 Cb -0.20 -4.11 -0.04 0.00 0.00 0.00 0.00 23.12 18.78 2yuz s ALA 68 CO -0.04 -3.05 0.11 -0.51 0.00 0.00 0.00 175.76 172.27 2yuz s LEU 69 N 7.83 4.16 0.29 0.00 1.43 -1.26 -0.20 118.68 130.92 2yuz s LEU 69 Ca 0.79 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2yuz s LEU 69 Cb -0.20 -2.18 0.64 0.00 0.03 0.00 0.00 46.19 44.47 2yuz s LEU 69 CO 0.30 0.35 1.49 0.41 0.23 0.00 0.00 176.35 179.13 2yuz n THR 70 N 1.63 -0.40 -0.32 5.49 -1.04 -1.26 0.84 114.28 119.22 2yuz n THR 70 Ca -0.16 2.12 0.16 0.00 -2.04 0.00 0.00 64.05 64.13 2yuz n THR 70 Cb 0.54 -3.04 0.34 0.00 -1.82 0.00 0.00 70.33 66.34 2yuz n THR 70 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2yuz h GLU 71 N 0.00 0.11 -0.91 -2.82 4.39 -2.00 0.97 114.58 114.31 2yuz h GLU 71 Ca 0.54 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.38 2yuz h GLU 71 Cb 1.04 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.59 2yuz h GLU 71 CO -0.92 0.07 0.58 -0.44 -1.16 0.00 0.00 179.01 177.14 2yuz h ASP 72 N 0.11 0.70 -2.03 1.42 5.19 0.04 -3.42 116.42 118.42 2yuz h ASP 72 Ca 0.61 0.04 -0.64 0.00 -0.62 0.00 0.00 57.03 56.43 2yuz h ASP 72 Cb 1.32 -0.09 0.09 0.00 0.18 0.00 0.00 39.33 40.83 2yuz h ASP 72 CO -0.76 0.35 0.24 1.21 -3.12 0.00 0.00 179.24 177.15 2yuz n GLU 73 N -4.58 1.19 0.00 3.56 2.13 0.33 -4.56 120.64 118.73 2yuz n GLU 73 Ca 0.18 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2yuz n GLU 73 Cb 0.46 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.28 2yuz n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yuz n GLY 74 N 1.88 0.07 3.01 8.31 0.00 -1.24 -5.05 105.19 112.17 2yuz n GLY 74 Ca 0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.00 -0.18 -0.01 1.61 1.01 -1.26 -3.63 116.67 110.20 2yuz s ASP 75 Ca 0.00 0.39 0.04 0.00 0.71 0.00 0.00 52.55 53.69 2yuz s ASP 75 Cb 0.00 0.32 -0.03 0.00 1.01 0.00 0.00 42.92 44.22 2yuz s ASP 75 CO 0.00 -0.12 -0.11 -0.31 0.21 0.00 0.00 175.17 174.84 2yuz s TYR 76 N 0.80 2.79 -0.03 4.23 1.51 0.10 -1.99 117.35 124.77 2yuz s TYR 76 Ca -0.06 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2yuz s TYR 76 Cb -0.07 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 2yuz s TYR 76 CO -0.04 0.30 0.07 0.08 -1.11 0.00 0.00 175.55 174.84 2yuz s VAL 77 N -0.89 -0.02 -0.02 0.71 1.01 -0.11 0.12 120.40 121.21 2yuz s VAL 77 Ca 0.15 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2yuz s VAL 77 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2yuz s VAL 77 CO 0.05 0.02 -0.13 0.12 0.00 0.00 0.00 175.10 175.16 2yuz s PHE 78 N 0.36 2.73 -0.04 5.22 2.19 -1.03 0.05 117.98 127.45 2yuz s PHE 78 Ca -0.03 -0.14 -0.02 0.00 0.33 0.00 0.00 56.93 57.08 2yuz s PHE 78 Cb -0.04 -1.59 0.03 0.00 -1.31 0.00 0.00 43.02 40.11 2yuz s PHE 78 CO -0.01 0.26 0.09 0.00 1.83 0.00 0.00 175.22 177.38 2yuz s ALA 79 N -0.85 -0.11 0.58 11.12 0.00 -0.84 -1.98 121.76 129.68 2yuz s ALA 79 Ca 0.14 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 2yuz s ALA 79 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2yuz s ALA 79 CO 0.03 -0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.55 2yuz s PRO 80 N 0.96 3.20 -0.01 0.00 0.04 -1.26 -1.53 135.00 136.40 2yuz s PRO 80 Ca -0.08 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.56 2yuz s PRO 80 Cb -0.10 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.59 2yuz s PRO 80 CO -0.04 -0.96 1.08 -3.47 0.04 0.00 0.00 177.00 173.65 2yuz n ASP 81 N -1.62 1.00 0.00 6.66 2.03 0.72 -3.64 116.55 121.70 2yuz n ASP 81 Ca 0.11 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.40 2yuz n ASP 81 Cb 0.51 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2yuz n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yuz n ALA 82 N -0.00 1.53 -2.65 -1.67 0.00 -1.26 -5.00 120.51 111.46 2yuz n ALA 82 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 2yuz n ALA 82 Cb 0.17 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.53 1.99 -1.26 0.00 2.02 -1.24 -5.04 117.35 112.29 2yuz s TYR 83 Ca 0.00 -0.86 0.15 0.00 -0.37 0.00 0.00 57.07 55.99 2yuz s TYR 83 Cb 0.00 -1.72 0.45 0.00 -0.40 0.00 0.00 41.96 40.30 2yuz s TYR 83 CO 0.00 0.15 1.38 -1.71 -1.57 0.00 0.00 175.55 173.80 2yuz n ASN 84 N -1.30 3.42 -4.68 2.29 2.85 -1.26 -4.20 115.26 112.38 2yuz n ASN 84 Ca -0.13 -2.06 -0.37 0.00 -0.11 0.00 0.00 54.58 51.91 2yuz n ASN 84 Cb 0.66 -0.35 0.06 0.00 1.24 0.00 0.00 39.78 41.39 2yuz n ASN 84 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2yuz n VAL 85 N 0.89 4.41 -3.81 3.44 0.31 -1.26 -4.96 118.33 117.35 2yuz n VAL 85 Ca 0.17 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.82 2yuz n VAL 85 Cb 0.54 -1.36 -0.17 0.00 -0.91 0.00 0.00 33.84 31.94 2yuz n VAL 85 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2yuz s THR 86 N -1.43 0.07 -0.36 2.52 -4.23 -1.26 -4.11 115.64 106.83 2yuz s THR 86 Ca 0.79 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.49 2yuz s THR 86 Cb -0.40 -0.22 0.09 0.00 1.34 0.00 0.00 72.50 73.31 2yuz s THR 86 CO 0.43 0.15 0.12 -0.76 -0.54 0.00 0.00 174.62 174.02 2yuz s LEU 87 N 1.43 4.73 0.67 4.79 1.02 -0.84 -4.94 118.68 125.54 2yuz s LEU 87 Ca -0.04 -1.76 -0.14 0.00 0.02 0.00 0.00 54.13 52.20 2yuz s LEU 87 Cb -0.13 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.32 2yuz s LEU 87 CO -0.03 -0.43 1.11 -2.16 0.02 0.00 0.00 176.35 174.86 2yuz s PRO 88 N 1.16 2.74 -0.22 1.29 0.04 -1.26 -2.47 135.00 136.28 2yuz s PRO 88 Ca 0.04 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 2yuz s PRO 88 Cb -0.21 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.47 2yuz s PRO 88 CO -0.03 -1.29 0.51 0.00 0.04 0.00 0.00 177.00 176.23 2yuz s ALA 89 N -2.40 -1.42 -0.05 8.56 0.00 0.12 -4.72 121.76 121.84 2yuz s ALA 89 Ca 0.66 1.85 -0.13 0.00 0.00 0.00 0.00 51.96 54.34 2yuz s ALA 89 Cb -0.20 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2yuz s ALA 89 CO 0.43 -0.53 0.34 0.15 0.00 0.00 0.00 175.76 176.15 2yuz s LYS 90 N 2.03 3.90 0.05 0.00 1.02 -1.26 -0.72 119.74 124.76 2yuz s LYS 90 Ca -0.07 0.26 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 2yuz s LYS 90 Cb -0.09 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2yuz s LYS 90 CO -0.15 0.61 0.04 0.14 -0.92 0.00 0.00 175.35 175.07 2yuz s VAL 91 N -0.73 0.17 0.05 3.17 -7.23 -1.24 -2.65 120.40 111.94 2yuz s VAL 91 Ca 0.21 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.83 2yuz s VAL 91 Cb -0.15 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.62 2yuz s VAL 91 CO 0.10 -0.78 0.32 -1.00 -0.31 0.00 0.00 175.10 173.43 2yuz s HIS 92 N -3.29 -0.12 0.04 2.82 3.76 -1.22 -3.68 115.29 113.59 2yuz s HIS 92 Ca 0.01 -0.01 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 2yuz s HIS 92 Cb 0.03 0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.80 2yuz s HIS 92 CO -0.08 -0.52 -0.24 0.54 -0.85 0.00 0.00 174.74 173.60 2yuz s VAL 93 N -2.58 1.93 -0.21 -0.90 0.11 -1.26 -2.99 120.40 114.49 2yuz s VAL 93 Ca -0.05 -1.26 -0.08 0.00 -2.93 0.00 0.00 61.98 57.66 2yuz s VAL 93 Cb -0.01 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 2yuz s VAL 93 CO -0.03 0.33 0.08 -0.63 -3.33 0.00 0.00 175.10 171.52 2yuz s ILE 94 N -0.76 4.72 -0.46 7.04 1.01 -1.07 -4.90 121.20 126.78 2yuz s ILE 94 Ca 0.10 -0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 2yuz s ILE 94 Cb -0.09 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.24 2yuz s ILE 94 CO 0.02 0.40 1.06 -0.94 0.00 0.00 0.00 174.94 175.48 2yuz s SER 95 N 0.92 6.60 0.00 3.58 1.04 -1.26 -1.60 113.70 122.99 2yuz s SER 95 Ca 0.04 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2yuz s SER 95 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2yuz s SER 95 CO 0.03 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.69 2yuz n GLY 96 N 4.82 2.87 0.25 7.32 0.00 -1.26 -5.03 105.19 114.17 2yuz n GLY 96 Ca 0.10 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2yuz n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuz h PRO 97 N 0.00 0.80 -6.58 1.61 0.13 -1.99 -3.45 132.00 122.51 2yuz h PRO 97 Ca 0.00 -0.42 -0.59 0.00 -0.87 0.00 0.00 66.00 64.12 2yuz h PRO 97 Cb 0.00 0.02 0.12 0.00 0.13 0.00 0.00 31.00 31.27 2yuz h PRO 97 CO 0.00 1.05 0.19 0.43 -0.23 0.00 0.00 178.00 179.44 2yuz n SER 98 N -4.04 1.45 -3.24 1.44 7.64 -1.26 -4.99 113.62 110.61 2yuz n SER 98 Ca -0.02 1.11 0.03 0.00 1.01 0.00 0.00 58.87 61.01 2yuz n SER 98 Cb 0.54 -1.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 2yuz n SER 98 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yuz s SER 99 N -0.61 -1.08 0.00 6.43 1.04 -1.26 -5.11 113.70 113.12 2yuz s SER 99 Ca 0.60 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.87 2yuz s SER 99 Cb -0.61 1.97 0.00 0.00 0.10 0.00 0.00 66.02 67.47 2yuz s SER 99 CO 0.59 -0.20 0.37 0.61 0.98 0.00 0.00 173.24 175.59