#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 -0.15 0.05 1.61 0.15 -1.26 -5.19 113.70 108.91 1weu s SER 2 Ca 0.00 -0.04 -0.27 0.00 0.70 0.00 0.00 55.95 56.35 1weu s SER 2 Cb 0.00 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 1weu s SER 2 CO 0.00 -0.31 1.20 -0.55 1.20 0.00 0.00 173.24 174.78 1weu s SER 3 N -2.38 -0.01 -0.05 5.45 0.15 -1.26 -5.20 113.70 110.40 1weu s SER 3 Ca 0.10 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.10 1weu s SER 3 Cb 0.00 0.27 0.11 0.00 -1.71 0.00 0.00 66.02 64.69 1weu s SER 3 CO -0.05 -0.53 1.34 -0.83 1.20 0.00 0.00 173.24 174.37 1weu s GLY 4 N -3.56 -0.25 0.09 9.45 0.00 -1.26 -5.19 107.32 106.61 1weu s GLY 4 Ca 0.25 0.29 -0.25 0.00 0.00 0.00 0.00 44.72 45.01 1weu s GLY 4 CO 0.01 4.52 1.15 -1.35 0.00 0.00 0.00 173.10 177.43 1weu s SER 5 N -3.63 -0.01 0.14 1.64 1.04 -1.26 -5.20 113.70 106.43 1weu s SER 5 Ca 0.26 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 56.01 1weu s SER 5 Cb 0.02 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.56 1weu s SER 5 CO -0.03 -0.68 1.08 -0.94 0.98 0.00 0.00 173.24 173.65 1weu s SER 6 N -3.50 -0.03 0.00 7.02 1.04 -1.26 -5.18 113.70 111.79 1weu s SER 6 Ca 0.24 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1weu s SER 6 Cb -0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1weu s SER 6 CO 0.02 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1weu n GLY 7 N -0.67 4.67 3.41 7.32 0.00 -1.26 -5.16 105.19 113.50 1weu n GLY 7 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 45.04 1weu n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 8 N 0.00 -0.66 1.17 1.61 1.04 -1.26 -5.18 113.70 110.42 1weu s SER 8 Ca 0.00 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.10 1weu s SER 8 Cb 0.00 1.73 0.27 0.00 0.10 0.00 0.00 66.02 68.12 1weu s SER 8 CO 0.00 -0.13 1.11 -2.16 0.98 0.00 0.00 173.24 173.04 1weu s PRO 9 N 2.55 -0.95 -0.28 4.02 0.04 -1.26 -5.09 135.00 134.02 1weu s PRO 9 Ca -0.02 0.03 -0.24 0.00 0.04 0.00 0.00 61.00 60.81 1weu s PRO 9 Cb -0.07 -1.62 0.12 0.00 0.04 0.00 0.00 34.50 32.97 1weu s PRO 9 CO -0.17 -3.55 0.99 -2.00 0.04 0.00 0.00 177.00 172.30 1weu s GLU 10 N -5.33 0.53 0.09 4.56 2.12 -1.26 -5.18 118.70 114.23 1weu s GLU 10 Ca 0.70 0.66 -0.14 0.00 0.36 0.00 0.00 54.97 56.55 1weu s GLU 10 Cb -0.11 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.54 1weu s GLU 10 CO 0.56 -0.07 0.33 0.71 -0.54 0.00 0.00 175.26 176.26 1weu s TYR 11 N 0.38 -0.11 0.15 5.30 2.02 -1.26 -5.18 117.35 118.66 1weu s TYR 11 Ca 0.01 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.49 1weu s TYR 11 Cb -0.05 0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.64 1weu s TYR 11 CO -0.07 -0.60 0.22 0.20 -1.57 0.00 0.00 175.55 173.73 1weu s GLY 12 N -2.54 0.59 -0.29 0.71 0.00 -1.26 -5.17 107.32 99.36 1weu s GLY 12 Ca 0.01 -1.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.52 1weu s GLY 12 CO -0.09 -0.97 1.06 -0.29 0.00 0.00 0.00 173.10 172.81 1weu s MET 13 N -3.98 0.33 1.19 2.90 1.75 -1.26 -5.18 119.30 115.05 1weu s MET 13 Ca 0.18 0.52 -0.19 0.00 -1.25 0.00 0.00 55.69 54.96 1weu s MET 13 Cb 0.04 0.09 0.28 0.00 2.84 0.00 0.00 34.83 38.09 1weu s MET 13 CO -0.00 -0.06 1.11 -1.25 -0.65 0.00 0.00 175.02 174.17 1weu s PRO 14 N 1.01 -1.11 0.18 4.11 0.04 -1.26 -5.10 135.00 132.88 1weu s PRO 14 Ca -0.06 -0.03 -0.01 0.00 0.04 0.00 0.00 61.00 60.95 1weu s PRO 14 Cb -0.04 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 1weu s PRO 14 CO -0.13 -3.64 0.09 -1.54 0.04 0.00 0.00 177.00 171.82 1weu s SER 15 N -3.86 0.35 -0.01 6.66 1.04 -1.26 -5.17 113.70 111.44 1weu s SER 15 Ca 0.71 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1weu s SER 15 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1weu s SER 15 CO 0.56 -0.78 -0.03 -0.69 0.98 0.00 0.00 173.24 173.29 1weu s VAL 16 N -4.06 0.26 0.01 5.02 1.01 -1.26 -5.15 120.40 116.23 1weu s VAL 16 Ca 0.33 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1weu s VAL 16 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1weu s VAL 16 CO 0.08 0.10 -0.13 0.28 0.00 0.00 0.00 175.10 175.42 1weu s THR 17 N 0.19 1.03 0.42 3.92 -1.32 -1.26 -5.15 115.64 113.48 1weu s THR 17 Ca -0.02 -0.75 -0.05 0.00 -1.21 0.00 0.00 61.69 59.66 1weu s THR 17 Cb -0.04 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1weu s THR 17 CO -0.00 0.14 0.71 0.72 -2.21 0.00 0.00 174.62 173.98 1weu s PHE 18 N -0.56 3.52 0.00 9.09 -0.12 -1.26 -5.08 117.98 123.57 1weu s PHE 18 Ca 0.03 0.76 0.00 0.00 -0.05 0.00 0.00 56.93 57.67 1weu s PHE 18 Cb -0.06 -2.24 0.00 0.00 -0.63 0.00 0.00 43.02 40.09 1weu s PHE 18 CO 0.00 -0.12 0.00 0.41 -0.05 0.00 0.00 175.22 175.46 1weu n GLY 19 N -1.82 0.35 3.83 1.99 0.00 -1.26 -5.19 105.19 103.09 1weu n GLY 19 Ca -0.00 0.68 -0.06 0.00 0.00 0.00 0.00 46.02 46.64 1weu n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weu s SER 20 N 0.00 -0.04 -0.06 1.61 0.01 -1.26 -5.17 113.70 108.78 1weu s SER 20 Ca 0.00 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1weu s SER 20 Cb 0.00 0.70 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 1weu s SER 20 CO 0.00 -1.37 -0.05 0.54 0.41 0.00 0.00 173.24 172.77 1weu s VAL 21 N -2.55 3.85 -0.15 3.43 0.11 -1.26 -5.11 120.40 118.72 1weu s VAL 21 Ca 0.16 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.72 1weu s VAL 21 Cb -0.04 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1weu s VAL 21 CO 0.08 0.58 -0.03 -2.28 -3.33 0.00 0.00 175.10 170.12 1weu s HIS 22 N -0.85 3.04 -0.98 1.54 5.04 -1.26 -5.04 115.29 116.78 1weu s HIS 22 Ca 0.13 -0.22 -0.24 0.00 -1.54 0.00 0.00 55.06 53.19 1weu s HIS 22 Cb -0.11 -1.94 -0.06 0.00 0.04 0.00 0.00 32.58 30.51 1weu s HIS 22 CO 0.02 0.03 1.94 -1.25 -2.34 0.00 0.00 174.74 173.15 1weu s PRO 23 N 0.22 2.54 0.18 2.88 0.04 -1.26 -4.95 135.00 134.65 1weu s PRO 23 Ca -0.02 -0.54 0.04 0.00 0.04 0.00 0.00 61.00 60.53 1weu s PRO 23 Cb -0.14 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.25 1weu s PRO 23 CO 0.03 -3.55 0.23 -1.12 0.04 0.00 0.00 177.00 172.63 1weu s SER 24 N 7.60 5.94 -0.83 6.66 0.01 -1.26 -5.07 113.70 126.76 1weu s SER 24 Ca 0.70 -0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.92 1weu s SER 24 Cb -0.05 -1.67 0.21 0.00 0.21 0.00 0.00 66.02 64.71 1weu s SER 24 CO 0.03 0.03 0.70 1.51 0.41 0.00 0.00 173.24 175.92 1weu s ASP 25 N -3.38 5.89 -0.04 2.44 -4.77 -1.26 -5.02 116.67 110.52 1weu s ASP 25 Ca 0.33 -3.43 0.00 0.00 -3.30 0.00 0.00 52.55 46.15 1weu s ASP 25 Cb -0.10 -1.92 0.03 0.00 -1.09 0.00 0.00 42.92 39.83 1weu s ASP 25 CO 0.26 -0.26 -0.02 0.68 0.70 0.00 0.00 175.17 176.54 1weu s VAL 26 N -0.92 0.35 0.19 2.11 -7.23 -1.26 -5.13 120.40 108.52 1weu s VAL 26 Ca 0.24 0.02 -0.31 0.00 -1.81 0.00 0.00 61.98 60.13 1weu s VAL 26 Cb -0.11 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 1weu s VAL 26 CO -0.10 0.20 1.44 -0.76 -0.31 0.00 0.00 175.10 175.57 1weu s LEU 27 N 1.23 4.38 -0.97 1.32 2.01 -1.26 -4.91 118.68 120.48 1weu s LEU 27 Ca -0.07 2.53 -0.24 0.00 0.01 0.00 0.00 54.13 56.37 1weu s LEU 27 Cb -0.14 -3.60 -0.01 0.00 0.01 0.00 0.00 46.19 42.45 1weu s LEU 27 CO -0.02 -0.69 1.74 -1.81 1.01 0.00 0.00 176.35 176.58 1weu s ASP 28 N 0.73 5.73 0.07 2.29 1.11 -1.26 -4.94 116.67 120.39 1weu s ASP 28 Ca 0.63 -1.06 -0.30 0.00 0.18 0.00 0.00 52.55 52.00 1weu s ASP 28 Cb -0.40 -2.57 -0.09 0.00 1.07 0.00 0.00 42.92 40.93 1weu s ASP 28 CO 0.36 -2.22 1.84 -0.32 1.18 0.00 0.00 175.17 176.02 1weu s MET 29 N 6.11 4.15 0.51 8.23 1.75 -1.26 -4.96 119.30 133.84 1weu s MET 29 Ca 0.60 2.53 -0.21 0.00 -1.25 0.00 0.00 55.69 57.36 1weu s MET 29 Cb -0.04 -3.84 -0.06 0.00 2.84 0.00 0.00 34.83 33.73 1weu s MET 29 CO -0.04 -0.87 1.14 -1.25 -0.65 0.00 0.00 175.02 173.35 1weu s PRO 30 N 3.49 3.51 0.30 4.11 0.04 -1.26 -5.04 135.00 140.14 1weu s PRO 30 Ca 0.82 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 1weu s PRO 30 Cb -0.43 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1weu s PRO 30 CO 0.37 -0.74 0.52 0.54 0.04 0.00 0.00 177.00 177.74 1weu s VAL 31 N -1.69 5.09 0.14 -0.36 0.11 -1.26 -5.12 120.40 117.32 1weu s VAL 31 Ca 0.69 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.56 1weu s VAL 31 Cb -0.26 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 1weu s VAL 31 CO 0.30 -0.40 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.74 1weu s ASP 32 N -3.55 1.91 0.00 3.54 1.01 -1.26 -5.02 116.67 113.30 1weu s ASP 32 Ca 0.41 -0.93 0.08 0.00 0.71 0.00 0.00 52.55 52.83 1weu s ASP 32 Cb -0.10 -0.04 0.50 0.00 1.01 0.00 0.00 42.92 44.29 1weu s ASP 32 CO 0.33 -0.25 0.95 -0.81 0.21 0.00 0.00 175.17 175.60 1weu n PRO 33 N 0.10 0.49 -0.16 8.23 -0.04 -1.26 -3.18 135.00 139.18 1weu n PRO 33 Ca -0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 1weu n PRO 33 Cb 0.59 -1.27 0.04 0.00 -0.04 0.00 0.00 33.50 32.82 1weu n PRO 33 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1weu h ASN 34 N 0.00 0.98 -4.17 3.54 -0.73 -2.04 -3.44 115.58 109.72 1weu h ASN 34 Ca 0.00 -0.33 -0.53 0.00 1.87 0.00 0.00 56.30 57.31 1weu h ASN 34 Cb 0.00 -0.27 0.14 0.00 0.27 0.00 0.00 38.32 38.47 1weu h ASN 34 CO 0.00 1.10 0.40 -1.61 -0.37 0.00 0.00 177.43 176.96 1weu s GLU 35 N -4.80 2.34 0.73 6.67 2.02 -1.19 -4.99 118.70 119.48 1weu s GLU 35 Ca -0.11 1.71 -0.12 0.00 0.02 0.00 0.00 54.97 56.47 1weu s GLU 35 Cb 0.13 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.53 1weu s GLU 35 CO 0.86 -1.67 1.10 -1.25 0.02 0.00 0.00 175.26 174.32 1weu s PRO 36 N -3.86 2.46 -0.09 0.39 0.04 -1.26 -4.70 135.00 127.98 1weu s PRO 36 Ca 0.74 1.26 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1weu s PRO 36 Cb -0.28 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1weu s PRO 36 CO 0.43 -1.50 -0.21 0.95 0.04 0.00 0.00 177.00 176.71 1weu s THR 37 N -2.68 2.35 -0.08 1.26 -4.23 -1.26 -3.12 115.64 107.88 1weu s THR 37 Ca 0.63 -0.93 -0.10 0.00 -1.18 0.00 0.00 61.69 60.11 1weu s THR 37 Cb -0.18 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1weu s THR 37 CO 0.50 0.56 -0.21 -1.22 -0.54 0.00 0.00 174.62 173.71 1weu n TYR 38 N 3.25 0.00 -0.99 3.99 4.02 -1.22 -4.82 117.16 121.40 1weu n TYR 38 Ca -0.18 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.35 1weu n TYR 38 Cb 0.53 -0.35 0.04 0.00 -0.02 0.00 0.00 39.34 39.54 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 -0.99 0.81 -0.29 0.00 4.07 -1.97 -0.65 115.31 116.30 1weu h LEU 40 Ca -0.44 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1weu h LEU 40 Cb 1.29 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1weu h LEU 40 CO 0.23 0.59 0.06 0.00 -1.08 0.00 0.00 178.44 178.24 1weu n HIS 42 N -1.62 -1.82 -4.30 0.00 8.25 -0.25 -5.03 115.22 110.44 1weu n HIS 42 Ca -0.00 0.75 -0.23 0.00 -0.26 0.00 0.00 57.72 57.98 1weu n HIS 42 Cb 0.06 -4.37 -0.07 0.00 1.12 0.00 0.00 29.99 26.73 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 -4.91 2.26 -0.32 -0.41 -1.52 -1.26 -4.84 119.66 108.67 1weu s GLN 43 Ca 0.07 -1.44 -0.28 0.00 -1.95 0.00 0.00 55.36 51.77 1weu s GLN 43 Cb -0.01 -2.14 -0.03 0.00 -0.22 0.00 0.00 33.01 30.61 1weu s GLN 43 CO 0.59 0.36 2.00 0.14 -0.25 0.00 0.00 175.29 178.14 1weu s VAL 44 N -2.33 3.26 -0.67 1.09 -7.23 -1.26 -3.39 120.40 109.86 1weu s VAL 44 Ca 0.31 0.26 -0.32 0.00 -1.81 0.00 0.00 61.98 60.42 1weu s VAL 44 Cb -0.06 -3.39 -0.16 0.00 0.56 0.00 0.00 36.38 33.33 1weu s VAL 44 CO 0.20 -0.27 2.45 -1.20 -0.31 0.00 0.00 175.10 175.97 1weu n SER 45 N 11.40 1.24 0.01 4.85 7.64 -1.18 -4.82 113.62 132.74 1weu n SER 45 Ca 0.26 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 60.26 1weu n SER 45 Cb 0.47 -1.15 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1weu n SER 45 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1weu h TYR 46 N 13.56 -0.04 0.00 1.43 0.05 -1.94 -3.49 116.97 126.54 1weu h TYR 46 Ca -0.15 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1weu h TYR 46 Cb 1.32 0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.07 1weu h TYR 46 CO 1.02 -0.02 0.00 0.41 -1.05 0.00 0.00 178.16 178.51 1weu n GLY 47 N 1.44 0.04 2.57 3.88 0.00 -1.26 -5.02 105.19 106.84 1weu n GLY 47 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1weu n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1weu n GLU 48 N 0.00 2.53 -4.35 1.61 1.02 -1.26 -4.86 120.64 115.34 1weu n GLU 48 Ca 0.00 -1.76 -0.24 0.00 -0.02 0.00 0.00 57.16 55.14 1weu n GLU 48 Cb 0.00 -2.63 -0.08 0.00 -0.02 0.00 0.00 31.44 28.71 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1weu s MET 49 N 3.18 2.08 0.00 3.49 -1.94 -1.26 -2.94 119.30 121.92 1weu s MET 49 Ca 0.50 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.87 1weu s MET 49 Cb 0.13 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.97 1weu s MET 49 CO -0.03 0.28 0.00 0.44 -0.01 0.00 0.00 175.02 175.70 1weu n ILE 50 N -0.85 0.00 -0.72 2.53 -0.00 -1.25 -4.80 119.36 114.27 1weu n ILE 50 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 1weu n ILE 50 Cb 0.60 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.41 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 2.87 -3.99 3.71 3.28 0.00 -1.26 -4.76 105.19 105.04 1weu n GLY 51 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 6.93 0.00 -2.46 0.00 3.58 -1.89 -3.42 116.42 119.16 1weu h ASP 53 Ca -0.41 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.49 1weu h ASP 53 Cb 1.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 1weu h ASP 53 CO 0.83 0.03 1.21 0.21 -2.88 0.00 0.00 179.24 178.64 1weu s ASN 54 N -7.04 6.34 0.49 2.28 2.47 -1.26 -4.86 114.94 113.36 1weu s ASN 54 Ca -0.05 2.21 0.32 0.00 0.42 0.00 0.00 52.86 55.76 1weu s ASN 54 Cb 0.17 -2.53 1.32 0.00 -1.45 0.00 0.00 41.25 38.76 1weu s ASN 54 CO 0.67 -1.20 1.94 1.55 -3.72 0.00 0.00 177.10 176.34 1weu h PRO 55 N 11.04 0.00 0.18 0.43 0.13 -2.04 -2.95 132.00 138.78 1weu h PRO 55 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.40 1weu h PRO 55 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1weu h PRO 55 CO 0.96 0.00 -1.39 -0.44 -0.23 0.00 0.00 178.00 176.90 1weu h ASP 56 N 0.00 0.58 -1.26 1.44 3.32 -1.95 -3.46 116.42 115.10 1weu h ASP 56 Ca 0.00 -0.65 -0.81 0.00 0.02 0.00 0.00 57.03 55.59 1weu h ASP 56 Cb 0.46 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1weu h ASP 56 CO 0.00 1.52 0.81 0.00 -1.72 0.00 0.00 179.24 179.85 1weu h SER 58 N 6.25 0.19 0.24 0.00 0.02 -1.90 -3.33 113.55 115.02 1weu h SER 58 Ca -0.45 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1weu h SER 58 Cb 1.34 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1weu h SER 58 CO 0.97 0.34 -0.11 0.40 -1.14 0.00 0.00 176.83 177.29 1weu h ILE 59 N 0.03 0.00 -5.93 3.27 2.04 -1.93 -3.46 117.51 111.53 1weu h ILE 59 Ca 0.04 -0.45 -0.42 0.00 1.00 0.00 0.00 64.86 65.04 1weu h ILE 59 Cb 0.22 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.16 1weu h ILE 59 CO -0.00 0.00 -0.62 -1.84 0.00 0.00 0.00 178.15 175.69 1weu n GLU 60 N -4.11 -3.02 -3.64 2.37 0.28 -1.25 -4.90 120.64 106.36 1weu n GLU 60 Ca -0.04 0.37 -0.03 0.00 -0.16 0.00 0.00 57.16 57.30 1weu n GLU 60 Cb 0.13 -5.06 -0.05 0.00 1.43 0.00 0.00 31.44 27.89 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 -2.97 -1.24 0.35 -1.84 0.52 -1.26 -2.57 118.94 109.93 1weu s TRP 61 Ca 0.50 2.25 -0.09 0.00 0.02 0.00 0.00 56.10 58.78 1weu s TRP 61 Cb -0.27 0.74 0.02 0.00 -1.15 0.00 0.00 33.47 32.81 1weu s TRP 61 CO 0.62 -0.62 0.62 -0.06 0.02 0.00 0.00 176.95 177.53 1weu s PHE 62 N 2.46 0.58 0.51 -1.98 0.08 -1.26 -2.75 117.98 115.62 1weu s PHE 62 Ca -0.07 -1.01 0.08 0.00 0.12 0.00 0.00 56.93 56.04 1weu s PHE 62 Cb -0.10 0.35 0.04 0.00 -0.57 0.00 0.00 43.02 42.74 1weu s PHE 62 CO -0.19 -1.31 0.57 -1.01 -0.10 0.00 0.00 175.22 173.18 1weu s HIS 63 N -2.84 1.95 -0.12 0.36 3.76 -1.26 -3.74 115.29 113.40 1weu s HIS 63 Ca 0.23 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1weu s HIS 63 Cb -0.03 -2.16 -0.26 0.00 1.11 0.00 0.00 32.58 31.25 1weu s HIS 63 CO 0.15 -0.66 0.43 0.74 -0.85 0.00 0.00 174.74 174.55 1weu h PHE 64 N 0.57 0.45 0.00 1.40 0.04 -1.81 -3.28 116.94 114.31 1weu h PHE 64 Ca -0.36 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.08 1weu h PHE 64 Cb 1.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1weu h PHE 64 CO 0.58 1.70 0.00 0.00 -0.60 0.00 0.00 178.31 179.99 1weu n ALA 65 N -3.03 2.19 -0.08 2.45 0.00 -1.26 0.16 120.51 120.95 1weu n ALA 65 Ca -0.30 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1weu n ALA 65 Cb 0.98 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.67 0.23 0.00 0.00 0.24 -1.05 -5.04 118.33 110.04 1weu n VAL 67 Ca -0.26 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1weu n VAL 67 Cb 0.95 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 3.19 0.67 2.28 7.63 0.00 0.43 -5.09 105.19 114.31 1weu n GLY 68 Ca -0.07 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 0.97 -0.11 0.99 4.77 -0.95 -4.99 117.00 117.69 1weu n LEU 69 Ca 0.00 -4.84 0.02 0.00 -0.03 0.00 0.00 56.01 51.16 1weu n LEU 69 Cb 0.00 0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1weu n LEU 69 CO 0.00 2.04 0.20 0.35 -1.33 0.00 0.00 177.39 178.64 1weu n THR 70 N 1.45 -0.13 -4.07 -5.08 -2.24 -1.26 -4.26 114.28 98.69 1weu n THR 70 Ca 0.24 0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 62.60 1weu n THR 70 Cb 0.49 -0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 67.64 1weu n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1weu s THR 71 N -5.37 0.49 -0.07 4.28 2.01 -1.26 -5.05 115.64 110.67 1weu s THR 71 Ca -0.05 -1.21 -0.32 0.00 0.31 0.00 0.00 61.69 60.42 1weu s THR 71 Cb 0.08 -0.76 -0.10 0.00 0.01 0.00 0.00 72.50 71.73 1weu s THR 71 CO 0.24 -0.49 1.96 1.17 -0.69 0.00 0.00 174.62 176.80 1weu n LYS 72 N 1.20 2.34 0.26 4.92 4.81 -1.26 -4.85 118.16 125.58 1weu n LYS 72 Ca -0.21 0.84 0.14 0.00 -0.87 0.00 0.00 58.31 58.20 1weu n LYS 72 Cb 0.56 -2.81 0.61 0.00 0.02 0.00 0.00 35.03 33.41 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 10.38 0.00 -6.23 1.64 0.13 -1.91 -3.46 132.00 132.55 1weu h PRO 73 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 1weu h PRO 73 Cb 1.26 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.16 1weu h PRO 73 CO 0.95 0.11 -0.68 -2.13 -0.23 0.00 0.00 178.00 176.02 1weu n ARG 74 N -3.28 -0.85 0.00 0.86 0.63 -1.26 -4.68 116.66 108.08 1weu n ARG 74 Ca 0.00 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1weu n ARG 74 Cb 0.34 -3.13 0.00 0.00 0.45 0.00 0.00 32.46 30.12 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1weu n GLY 75 N -1.36 2.63 2.48 5.14 0.00 -1.26 -5.07 105.19 107.75 1weu n GLY 75 Ca -0.03 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 1.92 -3.64 1.61 4.76 -1.26 -4.92 118.16 116.63 1weu n LYS 76 Ca 0.00 -4.29 -0.39 0.00 -2.87 0.00 0.00 58.31 50.76 1weu n LYS 76 Cb 0.00 -2.04 -0.12 0.00 -1.84 0.00 0.00 35.03 31.03 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 -1.88 3.18 -0.22 2.13 -0.00 -1.26 -5.02 118.94 115.88 1weu s TRP 77 Ca 0.36 -0.58 -0.10 0.00 -0.00 0.00 0.00 56.10 55.78 1weu s TRP 77 Cb 0.11 -2.37 -0.05 0.00 -0.00 0.00 0.00 33.47 31.16 1weu s TRP 77 CO -0.07 -0.46 0.14 -0.06 -0.00 0.00 0.00 176.95 176.49 1weu s PHE 78 N 1.61 3.36 0.77 5.86 0.40 -1.26 -3.17 117.98 125.55 1weu s PHE 78 Ca 0.04 0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 56.49 1weu s PHE 78 Cb -0.17 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1weu s PHE 78 CO 0.06 0.19 0.70 0.00 0.70 0.00 0.00 175.22 176.87 1weu n PRO 80 N -1.51 0.49 -0.02 0.00 -0.04 -1.26 -2.09 135.00 130.56 1weu n PRO 80 Ca 0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1weu n PRO 80 Cb 0.50 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.37 1.78 -0.08 0.54 1.74 -1.26 -4.66 116.66 114.34 1weu n ARG 81 Ca 0.00 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1weu n ARG 81 Cb 0.02 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 1weu n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1weu h SER 83 N -0.77 0.29 -0.35 0.00 0.87 -1.78 0.93 113.55 112.74 1weu h SER 83 Ca -0.38 0.17 -0.23 0.00 -1.23 0.00 0.00 61.79 60.12 1weu h SER 83 Cb 1.48 0.16 -0.10 0.00 -0.44 0.00 0.00 62.40 63.50 1weu h SER 83 CO -0.16 -0.24 0.30 1.67 -0.53 0.00 0.00 176.83 177.87 1weu n GLN 84 N -4.87 1.57 -0.93 2.24 -0.06 -1.26 -4.98 117.38 109.10 1weu n GLN 84 Ca 0.37 -1.14 -0.30 0.00 -2.00 0.00 0.00 57.00 53.93 1weu n GLN 84 Cb 1.36 -1.45 0.02 0.00 -4.06 0.00 0.00 30.24 26.11 1weu n GLN 84 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1weu n GLU 85 N 0.57 0.00 -1.70 3.69 2.13 0.32 -4.78 120.64 120.88 1weu n GLU 85 Ca 0.22 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.65 1weu n GLU 85 Cb 0.60 -0.79 0.04 0.00 0.27 0.00 0.00 31.44 31.55 1weu n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1weu n SER 86 N 2.24 2.11 -4.48 4.31 2.88 -1.26 -4.98 113.62 114.44 1weu n SER 86 Ca 0.04 0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 58.25 1weu n SER 86 Cb 0.40 -1.50 0.18 0.00 -0.75 0.00 0.00 64.21 62.53 1weu n SER 86 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1weu s GLY 87 N -0.92 1.58 0.00 0.46 0.00 -1.26 -4.89 107.32 102.29 1weu s GLY 87 Ca 0.70 -0.61 0.12 0.00 0.00 0.00 0.00 44.72 44.94 1weu s GLY 87 CO 0.51 0.07 1.17 -1.55 0.00 0.00 0.00 173.10 173.29 1weu n PRO 88 N -4.18 0.49 -3.67 2.90 -0.04 -1.26 -4.74 135.00 124.49 1weu n PRO 88 Ca 0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1weu n PRO 88 Cb 0.59 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1weu n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1weu s SER 89 N -1.90 6.39 -0.25 3.54 0.01 -1.26 -5.04 113.70 115.18 1weu s SER 89 Ca 0.19 0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.72 1weu s SER 89 Cb 0.08 -2.01 -0.11 0.00 0.21 0.00 0.00 66.02 64.19 1weu s SER 89 CO 0.14 -0.06 -0.35 -1.20 0.41 0.00 0.00 173.24 172.19 1weu n SER 90 N -0.71 1.89 0.00 2.44 7.64 -1.26 -5.11 113.62 118.51 1weu n SER 90 Ca -0.05 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1weu n SER 90 Cb 0.54 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1weu n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64