#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weu s SER 2 N 0.00 -0.02 0.20 1.61 1.04 -1.26 -5.20 113.70 110.08 1weu s SER 2 Ca 0.00 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.96 1weu s SER 2 Cb 0.00 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1weu s SER 2 CO 0.00 -0.41 1.00 -0.94 0.98 0.00 0.00 173.24 173.88 1weu s SER 3 N -3.48 -0.02 -0.03 7.02 1.04 -1.26 -5.19 113.70 111.78 1weu s SER 3 Ca 0.23 -0.68 -0.24 0.00 0.48 0.00 0.00 55.95 55.73 1weu s SER 3 Cb 0.01 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.74 1weu s SER 3 CO -0.01 -1.05 1.10 0.61 0.98 0.00 0.00 173.24 174.87 1weu n GLY 4 N -0.65 0.25 3.63 7.32 0.00 -1.26 -5.19 105.19 109.29 1weu n GLY 4 Ca -0.04 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 1weu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 5 N -3.43 -0.09 0.05 1.61 0.15 -1.26 -5.19 113.70 105.53 1weu s SER 5 Ca 0.26 -0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.49 1weu s SER 5 Cb -0.01 0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.60 1weu s SER 5 CO -0.01 -0.37 1.20 -0.94 1.20 0.00 0.00 173.24 174.33 1weu s SER 6 N -2.85 -0.02 0.00 5.45 1.04 -1.26 -5.19 113.70 110.86 1weu s SER 6 Ca 0.13 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1weu s SER 6 Cb 0.03 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1weu s SER 6 CO -0.03 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1weu n GLY 7 N -0.72 2.43 3.43 7.32 0.00 -1.26 -5.16 105.19 111.23 1weu n GLY 7 Ca -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.25 1weu n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weu s SER 8 N 0.00 -0.63 1.10 1.61 0.01 -1.26 -5.18 113.70 109.35 1weu s SER 8 Ca 0.00 0.87 -0.08 0.00 1.31 0.00 0.00 55.95 58.05 1weu s SER 8 Cb 0.00 1.71 0.12 0.00 0.21 0.00 0.00 66.02 68.06 1weu s SER 8 CO 0.00 -0.12 0.44 -0.81 0.41 0.00 0.00 173.24 173.16 1weu n PRO 9 N 4.99 -1.88 -3.98 12.44 -0.04 -1.26 -5.10 135.00 140.17 1weu n PRO 9 Ca -0.10 -0.71 -0.11 0.00 -0.04 0.00 0.00 63.50 62.54 1weu n PRO 9 Cb 0.52 -0.66 -0.02 0.00 -0.04 0.00 0.00 33.50 33.30 1weu n PRO 9 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1weu s GLU 10 N -4.01 1.91 0.20 0.54 -1.05 -1.26 -5.19 118.70 109.85 1weu s GLU 10 Ca 0.29 -1.50 -0.23 0.00 -0.15 0.00 0.00 54.97 53.38 1weu s GLU 10 Cb -0.03 0.51 0.06 0.00 -0.44 0.00 0.00 34.13 34.24 1weu s GLU 10 CO 0.22 -0.83 0.94 0.71 0.95 0.00 0.00 175.26 177.25 1weu s TYR 11 N -3.12 -0.04 0.00 4.83 2.02 -1.26 -5.19 117.35 114.59 1weu s TYR 11 Ca 0.23 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1weu s TYR 11 Cb -0.02 0.69 0.00 0.00 -0.40 0.00 0.00 41.96 42.23 1weu s TYR 11 CO 0.14 -0.99 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 1weu n GLY 12 N -0.55 5.86 3.62 0.71 0.00 -1.26 -5.18 105.19 108.39 1weu n GLY 12 Ca -0.05 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 1weu n GLY 12 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1weu s MET 13 N 1.35 0.73 0.58 1.61 -1.94 -1.26 -5.18 119.30 115.19 1weu s MET 13 Ca 0.00 0.71 -0.10 0.00 -1.71 0.00 0.00 55.69 54.59 1weu s MET 13 Cb 0.00 0.35 0.14 0.00 2.01 0.00 0.00 34.83 37.34 1weu s MET 13 CO 0.00 -0.12 0.51 -0.35 -0.01 0.00 0.00 175.02 175.05 1weu n PRO 14 N 2.16 -2.03 -4.51 2.03 -0.04 -1.26 -5.10 135.00 126.26 1weu n PRO 14 Ca -0.14 -0.82 -0.25 0.00 -0.04 0.00 0.00 63.50 62.25 1weu n PRO 14 Cb 0.56 -0.77 -0.08 0.00 -0.04 0.00 0.00 33.50 33.16 1weu n PRO 14 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1weu s SER 15 N -2.89 2.74 0.14 3.54 0.01 -1.26 -5.18 113.70 110.81 1weu s SER 15 Ca 0.33 -1.63 0.01 0.00 1.31 0.00 0.00 55.95 55.98 1weu s SER 15 Cb -0.03 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1weu s SER 15 CO 0.26 -0.88 -0.01 0.68 0.41 0.00 0.00 173.24 173.69 1weu s VAL 16 N -3.22 0.60 0.40 3.43 -7.23 -1.26 -5.17 120.40 107.95 1weu s VAL 16 Ca 0.25 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 1weu s VAL 16 Cb 0.03 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 1weu s VAL 16 CO 0.14 -0.60 0.46 0.42 -0.31 0.00 0.00 175.10 175.21 1weu s THR 17 N -3.70 3.06 0.01 5.32 -4.23 -1.26 -5.14 115.64 109.70 1weu s THR 17 Ca 0.20 -1.17 -0.28 0.00 -1.18 0.00 0.00 61.69 59.27 1weu s THR 17 Cb 0.06 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.92 1weu s THR 17 CO 0.01 -0.04 0.77 0.72 -0.54 0.00 0.00 174.62 175.54 1weu s PHE 18 N -2.37 -0.48 0.13 3.99 -0.12 -1.26 -5.19 117.98 112.68 1weu s PHE 18 Ca 0.50 0.54 -0.24 0.00 -0.05 0.00 0.00 56.93 57.67 1weu s PHE 18 Cb -0.07 0.50 0.08 0.00 -0.63 0.00 0.00 43.02 42.89 1weu s PHE 18 CO 0.30 -0.62 0.65 0.20 -0.05 0.00 0.00 175.22 175.71 1weu s GLY 19 N -2.02 -0.59 -0.12 1.99 0.00 -1.26 -5.18 107.32 100.13 1weu s GLY 19 Ca -0.01 0.60 -0.30 0.00 0.00 0.00 0.00 44.72 45.01 1weu s GLY 19 CO -0.04 0.21 0.93 -0.45 0.00 0.00 0.00 173.10 173.75 1weu s SER 20 N -2.65 -0.42 0.03 1.64 0.15 -1.26 -5.18 113.70 106.00 1weu s SER 20 Ca 0.01 0.42 -0.05 0.00 0.70 0.00 0.00 55.95 57.03 1weu s SER 20 Cb -0.01 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 1weu s SER 20 CO -0.12 -0.42 0.09 0.54 1.20 0.00 0.00 173.24 174.53 1weu s VAL 21 N -1.35 0.12 -0.16 4.45 0.11 -1.26 -5.15 120.40 117.16 1weu s VAL 21 Ca -0.03 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.02 1weu s VAL 21 Cb -0.00 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1weu s VAL 21 CO 0.02 -0.55 -0.12 -1.38 -3.33 0.00 0.00 175.10 169.73 1weu s HIS 22 N -2.25 2.83 0.74 1.54 -3.43 -1.26 -5.12 115.29 108.35 1weu s HIS 22 Ca -0.08 -0.91 -0.12 0.00 -0.80 0.00 0.00 55.06 53.15 1weu s HIS 22 Cb -0.03 -1.92 0.04 0.00 -1.43 0.00 0.00 32.58 29.24 1weu s HIS 22 CO -0.03 -0.41 1.10 -1.25 -2.00 0.00 0.00 174.74 172.14 1weu s PRO 23 N 0.81 2.40 1.21 -0.38 0.04 -1.26 -5.02 135.00 132.81 1weu s PRO 23 Ca -0.04 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 1weu s PRO 23 Cb -0.15 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 32.72 1weu s PRO 23 CO 0.00 -1.54 0.60 -1.13 0.04 0.00 0.00 177.00 174.97 1weu n SER 24 N -3.22 -2.53 -3.51 6.66 3.41 -1.26 -5.06 113.62 108.12 1weu n SER 24 Ca 0.09 -0.31 0.01 0.00 -0.26 0.00 0.00 58.87 58.40 1weu n SER 24 Cb 0.53 -1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 1weu n SER 24 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1weu s ASP 25 N -2.27 -0.37 -0.15 4.04 -4.77 -1.26 -5.16 116.67 106.73 1weu s ASP 25 Ca 0.62 0.55 -0.04 0.00 -3.30 0.00 0.00 52.55 50.37 1weu s ASP 25 Cb -0.17 1.28 0.07 0.00 -1.09 0.00 0.00 42.92 43.01 1weu s ASP 25 CO 0.62 -0.08 0.25 0.68 0.70 0.00 0.00 175.17 177.34 1weu s VAL 26 N 1.71 -0.40 0.72 2.11 -7.23 -1.26 -5.16 120.40 110.89 1weu s VAL 26 Ca -0.06 0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1weu s VAL 26 Cb -0.04 -0.50 0.09 0.00 0.56 0.00 0.00 36.38 36.50 1weu s VAL 26 CO -0.15 0.05 1.02 -1.48 -0.31 0.00 0.00 175.10 174.23 1weu s LEU 27 N 2.40 2.91 -0.30 1.32 2.34 -1.26 -5.11 118.68 120.99 1weu s LEU 27 Ca 0.03 0.13 -0.02 0.00 0.06 0.00 0.00 54.13 54.34 1weu s LEU 27 Cb -0.13 -2.65 0.19 0.00 -0.56 0.00 0.00 46.19 43.04 1weu s LEU 27 CO -0.09 -1.77 0.64 1.51 -1.06 0.00 0.00 176.35 175.58 1weu s ASP 28 N -4.62 -1.32 -0.44 1.48 -4.77 -1.26 -5.11 116.67 100.63 1weu s ASP 28 Ca 0.63 0.80 -0.41 0.00 -3.30 0.00 0.00 52.55 50.27 1weu s ASP 28 Cb -0.08 2.09 -0.17 0.00 -1.09 0.00 0.00 42.92 43.67 1weu s ASP 28 CO 0.45 -0.25 1.53 0.80 0.70 0.00 0.00 175.17 178.40 1weu n MET 29 N 5.43 0.00 -1.15 2.11 0.00 -1.26 -4.89 117.12 117.37 1weu n MET 29 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.40 1weu n MET 29 Cb 0.51 -1.32 0.19 0.00 0.00 0.00 0.00 33.22 32.61 1weu n MET 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1weu s PRO 30 N 3.33 0.01 0.80 2.12 0.04 -1.26 -4.95 135.00 135.10 1weu s PRO 30 Ca 0.96 0.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 1weu s PRO 30 Cb -1.32 -1.70 -0.15 0.00 0.04 0.00 0.00 34.50 31.37 1weu s PRO 30 CO 0.68 -2.98 -0.54 1.55 0.04 0.00 0.00 177.00 175.75 1weu n VAL 31 N -4.32 0.00 -4.19 -0.36 3.14 -1.26 -5.00 118.33 106.33 1weu n VAL 31 Ca 0.06 -0.49 -0.15 0.00 -2.96 0.00 0.00 64.34 60.80 1weu n VAL 31 Cb 0.58 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.25 1weu n VAL 31 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1weu s ASP 32 N -0.99 1.59 0.00 6.55 1.11 -1.26 -5.02 116.67 118.65 1weu s ASP 32 Ca 0.46 -0.81 0.07 0.00 0.18 0.00 0.00 52.55 52.45 1weu s ASP 32 Cb -0.30 -0.01 0.42 0.00 1.07 0.00 0.00 42.92 44.10 1weu s ASP 32 CO 0.76 -0.23 0.87 -0.81 1.18 0.00 0.00 175.17 176.93 1weu n PRO 33 N 0.56 0.49 -0.68 8.23 -0.04 -1.26 -4.08 135.00 138.21 1weu n PRO 33 Ca -0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.24 1weu n PRO 33 Cb 0.57 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.72 1weu n PRO 33 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1weu n ASN 34 N -0.72 4.44 -4.25 3.54 4.13 -1.26 -4.80 115.26 116.34 1weu n ASN 34 Ca 0.05 -2.27 -0.14 0.00 1.68 0.00 0.00 54.58 53.90 1weu n ASN 34 Cb 0.02 -1.10 -0.10 0.00 -1.54 0.00 0.00 39.78 37.06 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1weu s GLU 35 N 0.94 1.06 0.11 3.52 0.41 -1.26 -5.13 118.70 118.35 1weu s GLU 35 Ca 0.35 -1.44 -0.31 0.00 -0.41 0.00 0.00 54.97 53.16 1weu s GLU 35 Cb 0.17 -0.63 -0.08 0.00 -1.78 0.00 0.00 34.13 31.81 1weu s GLU 35 CO 0.00 0.08 1.37 -1.25 -0.49 0.00 0.00 175.26 174.96 1weu s PRO 36 N -3.69 4.33 -0.06 0.39 0.04 -1.26 -4.85 135.00 129.90 1weu s PRO 36 Ca 0.16 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1weu s PRO 36 Cb 0.02 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1weu s PRO 36 CO 0.01 -0.42 -0.15 0.95 0.04 0.00 0.00 177.00 177.43 1weu s THR 37 N 1.11 3.00 0.02 1.26 -4.23 -1.26 -4.23 115.64 111.31 1weu s THR 37 Ca 0.64 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1weu s THR 37 Cb -0.36 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 1weu s THR 37 CO 0.30 0.58 -0.07 -1.22 -0.54 0.00 0.00 174.62 173.67 1weu n TYR 38 N 2.57 0.00 -0.91 3.99 4.02 -1.23 -4.84 117.16 120.76 1weu n TYR 38 Ca -0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.42 1weu n TYR 38 Cb 0.52 -0.13 0.02 0.00 -0.02 0.00 0.00 39.34 39.73 1weu n TYR 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1weu h LEU 40 N -0.28 0.21 -0.27 0.00 3.38 -1.97 0.50 115.31 116.90 1weu h LEU 40 Ca -0.33 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1weu h LEU 40 Cb 1.10 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1weu h LEU 40 CO 0.28 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1weu n HIS 42 N -1.65 -1.66 -4.25 0.00 8.25 0.18 -5.04 115.22 111.06 1weu n HIS 42 Ca 0.00 0.71 -0.23 0.00 -0.26 0.00 0.00 57.72 57.94 1weu n HIS 42 Cb 0.03 -4.34 -0.07 0.00 1.12 0.00 0.00 29.99 26.72 1weu n HIS 42 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1weu s GLN 43 N -5.03 2.27 0.03 -0.41 -0.21 -1.26 -4.82 119.66 110.23 1weu s GLN 43 Ca 0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 55.36 53.55 1weu s GLN 43 Cb -0.00 -2.11 -0.06 0.00 1.00 0.00 0.00 33.01 31.84 1weu s GLN 43 CO 0.55 0.24 1.29 0.54 -2.12 0.00 0.00 175.29 175.80 1weu s VAL 44 N -2.39 3.85 0.17 1.09 0.11 -1.26 -3.50 120.40 118.46 1weu s VAL 44 Ca 0.34 1.28 -0.32 0.00 -2.93 0.00 0.00 61.98 60.35 1weu s VAL 44 Cb -0.04 -3.82 -0.11 0.00 -1.53 0.00 0.00 36.38 30.88 1weu s VAL 44 CO 0.21 0.05 1.73 -0.94 -3.33 0.00 0.00 175.10 172.82 1weu s SER 45 N 1.39 6.42 0.00 3.54 1.04 -1.26 -4.88 113.70 119.96 1weu s SER 45 Ca 0.61 2.79 0.12 0.00 0.48 0.00 0.00 55.95 59.95 1weu s SER 45 Cb -0.30 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.21 1weu s SER 45 CO 0.27 -0.96 0.69 0.00 0.98 0.00 0.00 173.24 174.22 1weu n TYR 46 N 4.53 0.00 0.00 5.02 0.18 -1.26 -5.04 117.16 120.59 1weu n TYR 46 Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 1weu n TYR 46 Cb 0.37 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.33 1weu n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1weu n GLY 47 N 1.01 2.01 3.51 -7.48 0.00 -1.26 -5.06 105.19 97.92 1weu n GLY 47 Ca 0.05 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1weu n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1weu n GLU 48 N 0.00 0.20 -3.87 1.61 0.28 -1.26 -4.82 120.64 112.77 1weu n GLU 48 Ca 0.00 -0.03 -0.09 0.00 -0.16 0.00 0.00 57.16 56.88 1weu n GLU 48 Cb 0.00 -1.85 -0.05 0.00 1.43 0.00 0.00 31.44 30.96 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1weu s MET 49 N 8.64 1.35 0.00 3.44 -1.94 -1.26 -4.16 119.30 125.37 1weu s MET 49 Ca 1.27 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.20 1weu s MET 49 Cb -0.98 0.46 0.00 0.00 2.01 0.00 0.00 34.83 36.32 1weu s MET 49 CO 0.45 -0.55 0.00 0.44 -0.01 0.00 0.00 175.02 175.35 1weu n ILE 50 N -0.31 0.00 -2.22 2.53 -0.00 -1.24 -4.78 119.36 113.34 1weu n ILE 50 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1weu n ILE 50 Cb 0.62 -0.41 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 1weu n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1weu n GLY 51 N 2.56 -5.20 3.52 3.28 0.00 -1.26 -4.78 105.19 103.30 1weu n GLY 51 Ca 0.00 -0.03 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 1weu n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weu h ASP 53 N 2.61 0.00 -2.85 0.00 3.58 -1.72 -3.42 116.42 114.62 1weu h ASP 53 Ca -0.41 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.48 1weu h ASP 53 Cb 1.39 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.40 1weu h ASP 53 CO 0.65 0.09 0.94 0.21 -2.88 0.00 0.00 179.24 178.26 1weu s ASN 54 N -6.51 6.88 0.42 2.28 2.47 -1.26 -4.90 114.94 114.32 1weu s ASN 54 Ca -0.04 1.82 0.21 0.00 0.42 0.00 0.00 52.86 55.28 1weu s ASN 54 Cb 0.15 -2.54 0.92 0.00 -1.45 0.00 0.00 41.25 38.33 1weu s ASN 54 CO 0.62 -0.79 1.84 1.55 -3.72 0.00 0.00 177.10 176.60 1weu h PRO 55 N 8.48 0.00 -0.20 0.43 0.13 -2.00 -3.01 132.00 135.83 1weu h PRO 55 Ca -0.30 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.66 1weu h PRO 55 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1weu h PRO 55 CO 0.96 0.28 -0.59 0.22 -0.23 0.00 0.00 178.00 178.65 1weu h ASP 56 N 0.00 0.74 -1.33 1.44 1.82 -1.95 -3.45 116.42 113.69 1weu h ASP 56 Ca -0.00 -0.41 -0.78 0.00 -0.39 0.00 0.00 57.03 55.45 1weu h ASP 56 Cb 0.70 -0.21 0.03 0.00 0.68 0.00 0.00 39.33 40.53 1weu h ASP 56 CO 0.04 1.16 0.62 0.00 -1.61 0.00 0.00 179.24 179.44 1weu h SER 58 N 5.38 0.37 0.16 0.00 0.87 -1.90 -3.28 113.55 115.15 1weu h SER 58 Ca -0.47 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 59.87 1weu h SER 58 Cb 1.35 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1weu h SER 58 CO 0.88 0.49 -0.07 0.40 -0.53 0.00 0.00 176.83 177.99 1weu h ILE 59 N 0.22 0.90 -5.97 2.23 2.04 -1.92 -3.46 117.51 111.55 1weu h ILE 59 Ca 0.08 -1.12 -0.42 0.00 1.00 0.00 0.00 64.86 64.40 1weu h ILE 59 Cb 0.26 1.49 -0.24 0.00 -0.74 0.00 0.00 36.82 37.60 1weu h ILE 59 CO -0.00 0.23 -0.62 -1.84 0.00 0.00 0.00 178.15 175.91 1weu n GLU 60 N -4.93 -0.84 -3.64 2.37 0.28 -1.24 -4.83 120.64 107.82 1weu n GLU 60 Ca -0.08 0.09 -0.06 0.00 -0.16 0.00 0.00 57.16 56.95 1weu n GLU 60 Cb 0.27 -3.02 -0.07 0.00 1.43 0.00 0.00 31.44 30.05 1weu n GLU 60 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1weu s TRP 61 N -2.84 -0.76 0.38 -1.84 0.52 -1.26 -3.18 118.94 109.95 1weu s TRP 61 Ca 0.44 1.58 -0.16 0.00 0.02 0.00 0.00 56.10 57.98 1weu s TRP 61 Cb -0.26 0.45 0.05 0.00 -1.15 0.00 0.00 33.47 32.56 1weu s TRP 61 CO 0.69 -0.37 0.78 -0.06 0.02 0.00 0.00 176.95 178.00 1weu s PHE 62 N 1.20 0.12 0.56 -1.98 0.08 -1.26 -2.99 117.98 113.71 1weu s PHE 62 Ca -0.07 -0.77 0.06 0.00 0.12 0.00 0.00 56.93 56.27 1weu s PHE 62 Cb -0.04 0.81 0.05 0.00 -0.57 0.00 0.00 43.02 43.27 1weu s PHE 62 CO -0.14 -1.54 0.51 -1.01 -0.10 0.00 0.00 175.22 172.94 1weu s HIS 63 N -2.44 1.52 -0.17 0.36 3.76 -1.26 -3.66 115.29 113.39 1weu s HIS 63 Ca 0.16 -0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 54.16 1weu s HIS 63 Cb -0.05 -1.98 -0.22 0.00 1.11 0.00 0.00 32.58 31.43 1weu s HIS 63 CO 0.11 -0.68 0.18 1.19 -0.85 0.00 0.00 174.74 174.69 1weu n PHE 64 N -1.90 0.89 0.83 1.40 3.72 -1.26 -4.12 117.46 117.01 1weu n PHE 64 Ca 0.03 0.22 -0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1weu n PHE 64 Cb 0.64 -1.11 0.03 0.00 -0.94 0.00 0.00 39.48 38.09 1weu n PHE 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1weu n ALA 65 N -3.19 2.67 0.00 4.37 0.00 -1.26 -0.53 120.51 122.57 1weu n ALA 65 Ca -0.36 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1weu n ALA 65 Cb 0.97 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1weu n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1weu n VAL 67 N -1.24 0.00 0.00 0.00 0.24 -1.16 -5.03 118.33 111.14 1weu n VAL 67 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1weu n VAL 67 Cb 0.00 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1weu n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1weu n GLY 68 N 1.51 0.55 2.37 7.63 0.00 0.31 -5.09 105.19 112.47 1weu n GLY 68 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1weu n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1weu n LEU 69 N 0.00 1.73 -0.11 0.99 4.77 -0.79 -4.97 117.00 118.63 1weu n LEU 69 Ca 0.00 -5.17 0.05 0.00 -0.03 0.00 0.00 56.01 50.86 1weu n LEU 69 Cb 0.00 0.39 0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1weu n LEU 69 CO 0.00 2.30 0.26 1.07 -1.33 0.00 0.00 177.39 179.68 1weu n THR 70 N 0.20 -0.13 -4.13 -5.08 5.66 -1.26 -4.14 114.28 105.40 1weu n THR 70 Ca 0.26 0.69 -0.16 0.00 -3.05 0.00 0.00 64.05 61.79 1weu n THR 70 Cb 0.59 -1.01 -0.12 0.00 -1.55 0.00 0.00 70.33 68.24 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1weu s THR 71 N -5.02 0.83 0.00 1.09 -4.23 -1.26 -5.03 115.64 102.02 1weu s THR 71 Ca -0.04 -1.17 -0.32 0.00 -1.18 0.00 0.00 61.69 58.98 1weu s THR 71 Cb 0.09 -0.84 -0.10 0.00 1.34 0.00 0.00 72.50 72.99 1weu s THR 71 CO 0.25 -0.28 1.92 1.17 -0.54 0.00 0.00 174.62 177.13 1weu n LYS 72 N 1.42 2.60 0.24 3.99 4.81 -1.26 -4.86 118.16 125.10 1weu n LYS 72 Ca -0.22 0.95 0.11 0.00 -0.87 0.00 0.00 58.31 58.29 1weu n LYS 72 Cb 0.54 -2.86 0.55 0.00 0.02 0.00 0.00 35.03 33.28 1weu n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1weu h PRO 73 N 9.81 0.00 -4.12 1.64 0.13 -1.90 -3.46 132.00 134.10 1weu h PRO 73 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1weu h PRO 73 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1weu h PRO 73 CO 0.94 0.18 -0.13 2.89 -0.23 0.00 0.00 178.00 181.65 1weu n ARG 74 N -3.41 -1.99 0.00 0.86 -4.01 -1.26 -4.62 116.66 102.22 1weu n ARG 74 Ca -0.00 0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 1weu n ARG 74 Cb 0.37 -3.02 0.00 0.00 -3.04 0.00 0.00 32.46 26.78 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1weu n GLY 75 N -0.45 1.51 2.46 2.89 0.00 -1.26 -5.05 105.19 105.29 1weu n GLY 75 Ca 0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1weu n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1weu n LYS 76 N 0.00 1.98 -3.37 1.61 4.76 -1.26 -4.95 118.16 116.92 1weu n LYS 76 Ca 0.00 -4.12 -0.40 0.00 -2.87 0.00 0.00 58.31 50.92 1weu n LYS 76 Cb 0.00 -1.90 -0.09 0.00 -1.84 0.00 0.00 35.03 31.20 1weu n LYS 76 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1weu s TRP 77 N -2.44 3.22 -0.21 2.13 -0.00 -1.26 -4.99 118.94 115.38 1weu s TRP 77 Ca 0.41 0.16 -0.04 0.00 -0.00 0.00 0.00 56.10 56.63 1weu s TRP 77 Cb 0.23 -2.68 -0.02 0.00 -0.00 0.00 0.00 33.47 31.01 1weu s TRP 77 CO -0.08 -0.38 -0.03 -0.06 -0.00 0.00 0.00 176.95 176.41 1weu s PHE 78 N 2.10 2.99 0.72 5.86 0.40 -1.26 -2.07 117.98 126.72 1weu s PHE 78 Ca 0.14 -0.69 -0.17 0.00 -0.60 0.00 0.00 56.93 55.61 1weu s PHE 78 Cb -0.16 -2.08 -0.10 0.00 0.51 0.00 0.00 43.02 41.18 1weu s PHE 78 CO 0.11 -0.39 -0.03 0.00 0.70 0.00 0.00 175.22 175.62 1weu n PRO 80 N 0.80 0.48 -0.03 0.00 -0.04 -1.26 -2.10 135.00 132.85 1weu n PRO 80 Ca 0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1weu n PRO 80 Cb 0.50 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 1weu n PRO 80 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1weu n ARG 81 N -0.60 1.40 -0.08 0.54 1.74 -1.26 -4.62 116.66 113.78 1weu n ARG 81 Ca 0.02 -0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1weu n ARG 81 Cb 0.01 -1.29 -0.12 0.00 -1.02 0.00 0.00 32.46 30.04 1weu n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1weu n SER 83 N -4.11 -0.20 -0.30 0.00 2.88 -1.01 0.48 113.62 111.35 1weu n SER 83 Ca -0.35 1.67 0.21 0.00 -1.33 0.00 0.00 58.87 59.08 1weu n SER 83 Cb 0.81 -0.57 0.39 0.00 -0.75 0.00 0.00 64.21 64.10 1weu n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1weu n GLN 84 N -5.52 -0.06 -3.66 -1.46 1.13 -1.26 -2.41 117.38 104.14 1weu n GLN 84 Ca 0.20 1.30 -0.28 0.00 -1.94 0.00 0.00 57.00 56.28 1weu n GLN 84 Cb 0.66 -2.19 -0.11 0.00 0.11 0.00 0.00 30.24 28.71 1weu n GLN 84 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1weu s GLU 85 N -5.63 1.69 0.49 -1.09 -1.05 0.18 -5.10 118.70 108.20 1weu s GLU 85 Ca -0.10 -2.72 0.03 0.00 -0.15 0.00 0.00 54.97 52.03 1weu s GLU 85 Cb 0.28 -2.45 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 1weu s GLU 85 CO 0.70 -1.33 0.04 -1.12 0.95 0.00 0.00 175.26 174.50 1weu s SER 86 N -0.68 4.14 0.46 0.83 0.01 -1.01 -4.96 113.70 112.49 1weu s SER 86 Ca 0.28 -1.57 -0.25 0.00 1.31 0.00 0.00 55.95 55.73 1weu s SER 86 Cb -0.01 0.35 -0.08 0.00 0.21 0.00 0.00 66.02 66.48 1weu s SER 86 CO -0.17 -0.80 1.40 -0.83 0.41 0.00 0.00 173.24 173.25 1weu s GLY 87 N -3.88 2.91 -0.81 3.44 0.00 -1.26 -4.87 107.32 102.85 1weu s GLY 87 Ca 0.13 1.42 -0.25 0.00 0.00 0.00 0.00 44.72 46.02 1weu s GLY 87 CO 0.07 2.01 1.92 2.56 0.00 0.00 0.00 173.10 179.66 1weu s PRO 88 N -2.50 2.57 -0.96 2.90 0.04 -1.26 -4.89 135.00 130.89 1weu s PRO 88 Ca 0.62 -0.00 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 1weu s PRO 88 Cb -0.42 -4.85 -0.10 0.00 0.04 0.00 0.00 34.50 29.16 1weu s PRO 88 CO 0.54 -3.18 2.08 -1.54 0.04 0.00 0.00 177.00 174.94 1weu s SER 89 N 8.07 4.57 -0.37 6.66 1.04 -1.26 -4.90 113.70 127.51 1weu s SER 89 Ca 0.69 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 1weu s SER 89 Cb -0.09 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.50 1weu s SER 89 CO 0.06 -3.39 0.19 -0.44 0.98 0.00 0.00 173.24 170.64 1weu s SER 90 N 8.45 5.63 0.00 7.02 0.01 -1.26 -5.30 113.70 128.25 1weu s SER 90 Ca 0.77 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1weu s SER 90 Cb -0.07 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1weu s SER 90 CO 0.07 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.94