#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 -0.42 -0.06 1.61 1.04 -1.26 -5.07 113.70 109.55 1weu s SER 2 Ca 0.00 0.35 -0.24 0.00 0.48 0.00 0.00 55.95 56.54 1weu s SER 2 Cb 0.00 0.37 -0.26 0.00 0.10 0.00 0.00 66.02 66.23 1weu s SER 2 CO 0.00 -0.46 0.96 0.28 0.98 0.00 0.00 173.24 175.00 1weu h SER 3 N 2.49 0.29 -4.01 7.02 0.02 -2.15 -3.50 113.55 113.70 1weu h SER 3 Ca -0.21 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 59.88 1weu h SER 3 Cb 1.18 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1weu h SER 3 CO 0.32 1.12 -0.10 0.61 -1.14 0.00 0.00 176.83 177.64 1weu n GLY 4 N 1.31 -3.19 3.60 -3.77 0.00 -1.26 -5.12 105.19 96.76 1weu n GLY 4 Ca -0.11 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 1weu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 5 N -2.07 -0.32 0.18 1.61 1.04 -1.26 -5.19 113.70 107.69 1weu s SER 5 Ca 0.00 -0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 1weu s SER 5 Cb 0.00 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1weu s SER 5 CO 0.00 -0.82 1.02 -0.44 0.98 0.00 0.00 173.24 173.97 1weu s SER 6 N -2.71 -0.04 0.00 7.02 0.01 -1.26 -5.19 113.70 111.53 1weu s SER 6 Ca 0.07 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1weu s SER 6 Cb -0.02 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1weu s SER 6 CO -0.05 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.23 1weu n GLY 7 N -0.64 3.91 3.37 3.44 0.00 -1.26 -5.15 105.19 108.86 1weu n GLY 7 Ca -0.04 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.76 1weu n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 8 N 0.00 -0.58 1.20 1.61 0.15 -1.26 -5.18 113.70 109.65 1weu s SER 8 Ca 0.00 0.74 -0.19 0.00 0.70 0.00 0.00 55.95 57.20 1weu s SER 8 Cb 0.00 1.64 0.29 0.00 -1.71 0.00 0.00 66.02 66.24 1weu s SER 8 CO 0.00 -0.11 1.11 -2.16 1.20 0.00 0.00 173.24 173.28 1weu s PRO 9 N 2.50 -1.25 -0.12 5.44 0.04 -1.26 -5.10 135.00 135.26 1weu s PRO 9 Ca -0.02 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 60.66 1weu s PRO 9 Cb -0.07 -1.59 0.12 0.00 0.04 0.00 0.00 34.50 33.00 1weu s PRO 9 CO -0.17 -3.73 0.94 -2.00 0.04 0.00 0.00 177.00 172.09 1weu s GLU 10 N -5.40 0.69 0.07 4.56 2.12 -1.26 -5.19 118.70 114.29 1weu s GLU 10 Ca 0.71 0.08 -0.26 0.00 0.36 0.00 0.00 54.97 55.85 1weu s GLU 10 Cb -0.10 0.32 0.09 0.00 0.26 0.00 0.00 34.13 34.71 1weu s GLU 10 CO 0.56 -0.23 1.16 -0.47 -0.54 0.00 0.00 175.26 175.74 1weu s TYR 11 N -1.48 0.01 0.11 5.30 5.04 -1.26 -5.20 117.35 119.87 1weu s TYR 11 Ca -0.02 -0.24 -0.10 0.00 -2.44 0.00 0.00 57.07 54.27 1weu s TYR 11 Cb -0.00 0.61 0.04 0.00 0.35 0.00 0.00 41.96 42.96 1weu s TYR 11 CO 0.01 -0.56 0.51 0.41 -1.34 0.00 0.00 175.55 174.58 1weu n GLY 12 N -0.68 1.02 3.60 8.97 0.00 -1.26 -5.18 105.19 111.66 1weu n GLY 12 Ca -0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.03 0.80 0.54 1.61 -1.94 -1.26 -5.18 119.30 111.84 1weu s MET 13 Ca 0.11 0.99 -0.09 0.00 -1.71 0.00 0.00 55.69 54.99 1weu s MET 13 Cb -0.02 0.37 0.13 0.00 2.01 0.00 0.00 34.83 37.33 1weu s MET 13 CO 0.03 -0.10 0.48 -0.35 -0.01 0.00 0.00 175.02 175.07 1weu n PRO 14 N 2.87 -1.96 -3.58 2.03 -0.04 -1.26 -5.10 135.00 127.95 1weu n PRO 14 Ca -0.15 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.45 1weu n PRO 14 Cb 0.56 -0.72 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 1weu n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1weu s SER 15 N -2.80 -0.44 0.36 3.54 0.15 -1.26 -5.18 113.70 108.07 1weu s SER 15 Ca 0.31 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.82 1weu s SER 15 Cb -0.03 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1weu s SER 15 CO 0.24 -1.06 0.29 0.68 1.20 0.00 0.00 173.24 174.59 1weu s VAL 16 N -3.73 3.24 -0.00 4.45 -7.23 -1.26 -5.14 120.40 110.72 1weu s VAL 16 Ca 0.05 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1weu s VAL 16 Cb -0.03 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1weu s VAL 16 CO -0.06 -0.13 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.70 1weu s THR 17 N -2.36 0.14 0.84 5.32 2.01 -1.26 -5.15 115.64 115.17 1weu s THR 17 Ca 0.42 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 1weu s THR 17 Cb -0.05 -0.13 0.10 0.00 0.01 0.00 0.00 72.50 72.43 1weu s THR 17 CO 0.26 0.05 1.14 0.12 -0.69 0.00 0.00 174.62 175.50 1weu s PHE 18 N 0.06 1.99 -0.18 4.92 5.36 -1.26 -5.05 117.98 123.81 1weu s PHE 18 Ca -0.00 1.69 -0.14 0.00 -0.96 0.00 0.00 56.93 57.52 1weu s PHE 18 Cb -0.02 -3.27 0.05 0.00 -0.34 0.00 0.00 43.02 39.44 1weu s PHE 18 CO -0.00 -2.45 0.47 0.20 -1.46 0.00 0.00 175.22 171.98 1weu s GLY 19 N -2.78 -0.37 0.08 13.12 0.00 -1.26 -5.17 107.32 110.94 1weu s GLY 19 Ca 0.66 1.49 -0.17 0.00 0.00 0.00 0.00 44.72 46.70 1weu s GLY 19 CO 0.55 1.42 0.40 -0.45 0.00 0.00 0.00 173.10 175.02 1weu s SER 20 N 0.71 -0.26 0.63 1.64 0.15 -1.26 -5.15 113.70 110.16 1weu s SER 20 Ca -0.04 -0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 1weu s SER 20 Cb -0.05 0.44 -0.14 0.00 -1.71 0.00 0.00 66.02 64.56 1weu s SER 20 CO -0.05 -0.74 -0.24 0.55 1.20 0.00 0.00 173.24 173.96 1weu n VAL 21 N 0.20 0.12 -1.53 4.45 3.14 -1.26 -4.79 118.33 118.67 1weu n VAL 21 Ca -0.17 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.31 1weu n VAL 21 Cb 0.61 -0.05 0.03 0.00 -1.06 0.00 0.00 33.84 33.38 1weu n VAL 21 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1weu n HIS 22 N -1.77 0.07 -2.20 1.45 1.44 -1.26 -4.93 115.22 108.03 1weu n HIS 22 Ca 0.06 0.50 -0.35 0.00 -2.01 0.00 0.00 57.72 55.92 1weu n HIS 22 Cb 0.49 -2.06 0.01 0.00 0.12 0.00 0.00 29.99 28.55 1weu n HIS 22 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1weu s PRO 23 N -2.08 3.29 -1.06 -1.40 0.04 -1.26 -4.94 135.00 127.59 1weu s PRO 23 Ca 0.68 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 1weu s PRO 23 Cb -0.50 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.09 1weu s PRO 23 CO 0.54 -0.89 1.49 -1.54 0.04 0.00 0.00 177.00 176.64 1weu s SER 24 N -1.88 6.54 -1.22 6.66 1.04 -1.26 -4.92 113.70 118.66 1weu s SER 24 Ca 0.72 -1.59 -0.19 0.00 0.48 0.00 0.00 55.95 55.37 1weu s SER 24 Cb -0.23 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.38 1weu s SER 24 CO 0.29 -1.47 1.66 1.51 0.98 0.00 0.00 173.24 176.21 1weu s ASP 25 N 4.89 6.74 -0.29 7.02 1.47 -1.26 -4.85 116.67 130.38 1weu s ASP 25 Ca 0.47 -2.18 -0.12 0.00 1.18 0.00 0.00 52.55 51.91 1weu s ASP 25 Cb 0.01 -2.58 0.12 0.00 -0.34 0.00 0.00 42.92 40.13 1weu s ASP 25 CO -0.07 -1.27 0.70 0.54 0.68 0.00 0.00 175.17 175.74 1weu s VAL 26 N 4.45 -0.67 0.15 2.11 0.11 -1.26 -5.17 120.40 120.12 1weu s VAL 26 Ca 0.52 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1weu s VAL 26 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1weu s VAL 26 CO 0.03 0.00 0.09 -0.76 -3.33 0.00 0.00 175.10 171.13 1weu s LEU 27 N 2.49 1.54 -0.08 2.54 1.43 -1.26 -5.16 118.68 120.18 1weu s LEU 27 Ca -0.07 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 51.76 1weu s LEU 27 Cb -0.09 0.35 0.03 0.00 0.03 0.00 0.00 46.19 46.50 1weu s LEU 27 CO -0.19 -0.77 -0.04 1.51 0.23 0.00 0.00 176.35 177.09 1weu s ASP 28 N -3.08 1.76 -0.14 2.29 -4.77 -1.26 -5.13 116.67 106.34 1weu s ASP 28 Ca 0.29 -0.18 -0.30 0.00 -3.30 0.00 0.00 52.55 49.06 1weu s ASP 28 Cb 0.07 -0.60 0.13 0.00 -1.09 0.00 0.00 42.92 41.43 1weu s ASP 28 CO 0.05 -0.15 1.02 0.00 0.70 0.00 0.00 175.17 176.80 1weu s MET 29 N 1.74 0.57 0.32 2.11 0.23 -1.26 -5.16 119.30 117.85 1weu s MET 29 Ca 0.03 0.02 -0.29 0.00 -1.03 0.00 0.00 55.69 54.42 1weu s MET 29 Cb -0.13 0.27 -0.10 0.00 -1.53 0.00 0.00 34.83 33.34 1weu s MET 29 CO -0.06 -0.20 1.22 -1.25 -2.03 0.00 0.00 175.02 172.71 1weu s PRO 30 N -1.65 4.44 1.27 3.16 0.04 -1.26 -5.02 135.00 135.99 1weu s PRO 30 Ca 0.02 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 1weu s PRO 30 Cb -0.01 -3.09 0.29 0.00 0.04 0.00 0.00 34.50 31.73 1weu s PRO 30 CO -0.02 -0.05 0.67 1.33 0.04 0.00 0.00 177.00 178.96 1weu n VAL 31 N 0.89 0.00 -4.17 -0.36 0.24 -1.26 -5.05 118.33 108.62 1weu n VAL 31 Ca -0.00 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1weu n VAL 31 Cb 0.43 -0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 31.87 1weu n VAL 31 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1weu s ASP 32 N -2.54 1.32 0.00 -1.34 1.11 -1.26 -5.02 116.67 108.94 1weu s ASP 32 Ca 0.58 -0.85 0.11 0.00 0.18 0.00 0.00 52.55 52.57 1weu s ASP 32 Cb -0.13 0.04 0.66 0.00 1.07 0.00 0.00 42.92 44.55 1weu s ASP 32 CO 0.53 -0.32 1.09 -0.81 1.18 0.00 0.00 175.17 176.84 1weu n PRO 33 N 0.43 0.49 -0.09 8.23 -0.04 -1.26 -3.22 135.00 139.54 1weu n PRO 33 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 1weu n PRO 33 Cb 0.58 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 1weu n PRO 33 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1weu h ASN 34 N 0.00 0.53 -1.80 3.54 -1.07 -2.03 -3.46 115.58 111.29 1weu h ASN 34 Ca 0.00 -0.37 -0.51 0.00 0.07 0.00 0.00 56.30 55.49 1weu h ASN 34 Cb 0.00 -0.14 0.19 0.00 -2.07 0.00 0.00 38.32 36.30 1weu h ASN 34 CO 0.00 0.77 -1.41 -0.62 0.07 0.00 0.00 177.43 176.24 1weu n GLU 35 N -4.52 0.00 -1.26 4.14 -0.58 -1.20 -4.89 120.64 112.33 1weu n GLU 35 Ca -0.03 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 1weu n GLU 35 Cb 0.31 -0.90 0.09 0.00 -0.57 0.00 0.00 31.44 30.37 1weu n GLU 35 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1weu s PRO 36 N -1.42 2.20 -0.07 3.49 0.04 -1.26 -4.76 135.00 133.21 1weu s PRO 36 Ca 0.42 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1weu s PRO 36 Cb -0.28 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1weu s PRO 36 CO 0.68 -1.68 -0.17 0.95 0.04 0.00 0.00 177.00 176.82 1weu s THR 37 N -2.91 1.49 -0.03 1.26 -4.23 -1.26 -3.84 115.64 106.12 1weu s THR 37 Ca 0.61 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 1weu s THR 37 Cb -0.17 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 1weu s THR 37 CO 0.56 0.43 -0.08 -1.22 -0.54 0.00 0.00 174.62 173.77 1weu n TYR 38 N 3.60 0.00 -0.99 3.99 4.02 -1.24 -4.84 117.16 121.70 1weu n TYR 38 Ca -0.21 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.32 1weu n TYR 38 Cb 0.52 -0.19 0.04 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.19 -0.12 0.00 3.38 -1.97 0.36 115.31 116.15 1weu h LEU 40 Ca -0.43 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1weu h LEU 40 Cb 1.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1weu h LEU 40 CO 0.23 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1weu n HIS 42 N -1.56 -1.94 -4.24 0.00 8.25 0.11 -5.04 115.22 110.80 1weu n HIS 42 Ca 0.00 0.75 -0.24 0.00 -0.26 0.00 0.00 57.72 57.97 1weu n HIS 42 Cb 0.01 -4.22 -0.07 0.00 1.12 0.00 0.00 29.99 26.82 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 -4.66 2.22 -0.10 -0.41 -1.52 -1.26 -4.85 119.66 109.09 1weu s GLN 43 Ca 0.19 -1.61 -0.30 0.00 -1.95 0.00 0.00 55.36 51.69 1weu s GLN 43 Cb -0.02 -2.06 -0.02 0.00 -0.22 0.00 0.00 33.01 30.68 1weu s GLN 43 CO 0.61 0.17 1.20 0.14 -0.25 0.00 0.00 175.29 177.17 1weu s VAL 44 N -2.45 4.31 0.09 1.09 -7.23 -1.26 -3.62 120.40 111.33 1weu s VAL 44 Ca 0.35 1.61 -0.33 0.00 -1.81 0.00 0.00 61.98 61.81 1weu s VAL 44 Cb -0.02 -4.04 -0.12 0.00 0.56 0.00 0.00 36.38 32.76 1weu s VAL 44 CO 0.21 -0.05 1.78 -0.24 -0.31 0.00 0.00 175.10 176.48 1weu n SER 45 N 5.68 3.68 -0.29 4.85 2.88 -1.25 -4.86 113.62 124.31 1weu n SER 45 Ca 0.12 1.01 0.08 0.00 -1.33 0.00 0.00 58.87 58.75 1weu n SER 45 Cb 0.46 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.41 1weu n SER 45 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1weu n TYR 46 N 5.23 0.00 0.00 0.66 0.18 -1.26 -5.04 117.16 116.92 1weu n TYR 46 Ca 0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.97 1weu n TYR 46 Cb 0.33 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 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 1.27 1.59 3.50 -7.48 0.00 -1.26 -5.05 105.19 97.76 1weu n GLY 47 Ca 0.06 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 0.02 -4.21 1.61 0.00 -1.26 -4.83 120.64 111.97 1weu n GLU 48 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 57.16 56.97 1weu n GLU 48 Cb 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 31.44 30.19 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1weu s MET 49 N 7.27 0.93 -0.02 3.44 -1.94 -1.26 -4.19 119.30 123.53 1weu s MET 49 Ca 1.31 -1.16 0.01 0.00 -1.71 0.00 0.00 55.69 54.14 1weu s MET 49 Cb -0.87 -0.79 -0.02 0.00 2.01 0.00 0.00 34.83 35.15 1weu s MET 49 CO 0.55 0.15 -0.01 0.44 -0.01 0.00 0.00 175.02 176.14 1weu n ILE 50 N 0.69 0.15 -1.48 2.53 -0.00 -1.23 -5.01 119.36 115.02 1weu n ILE 50 Ca -0.17 -0.08 0.18 0.00 -0.00 0.00 0.00 62.75 62.69 1weu n ILE 50 Cb 0.57 -0.78 -0.09 0.00 -0.00 0.00 0.00 39.64 39.34 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 3.10 -3.08 3.77 3.28 0.00 -1.26 -4.82 105.19 106.19 1weu n GLY 51 Ca -0.04 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 5.83 0.00 -2.85 0.00 1.82 -1.86 -3.41 116.42 115.95 1weu h ASP 53 Ca -0.46 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.62 1weu h ASP 53 Cb 1.19 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 1weu h ASP 53 CO 0.69 0.00 1.02 0.21 -1.61 0.00 0.00 179.24 179.55 1weu s ASN 54 N -6.02 6.67 0.28 2.28 2.47 -1.26 -4.88 114.94 114.47 1weu s ASN 54 Ca -0.05 1.69 0.24 0.00 0.42 0.00 0.00 52.86 55.16 1weu s ASN 54 Cb 0.15 -2.54 1.01 0.00 -1.45 0.00 0.00 41.25 38.42 1weu s ASN 54 CO 0.55 -1.00 1.73 -0.81 -3.72 0.00 0.00 177.10 173.84 1weu n PRO 55 N 7.16 0.21 0.02 0.43 -0.04 -1.26 -2.58 135.00 138.93 1weu n PRO 55 Ca 0.16 0.44 -0.12 0.00 -0.04 0.00 0.00 63.50 63.94 1weu n PRO 55 Cb 0.45 -1.90 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 1weu n PRO 55 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1weu h ASP 56 N 0.00 0.14 -1.36 3.54 3.32 -1.94 -3.46 116.42 116.66 1weu h ASP 56 Ca 0.00 -0.23 -0.78 0.00 0.02 0.00 0.00 57.03 56.04 1weu h ASP 56 Cb 0.37 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1weu h ASP 56 CO 0.00 1.20 0.87 0.00 -1.72 0.00 0.00 179.24 179.59 1weu h SER 58 N 6.80 -0.57 0.36 0.00 0.87 -1.90 -3.26 113.55 115.85 1weu h SER 58 Ca -0.45 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 1weu h SER 58 Cb 1.33 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1weu h SER 58 CO 0.97 -0.28 -0.17 0.40 -0.53 0.00 0.00 176.83 177.22 1weu h ILE 59 N -0.36 0.00 -6.33 2.23 2.04 -1.91 -3.46 117.51 109.72 1weu h ILE 59 Ca 0.04 -0.18 -0.44 0.00 1.00 0.00 0.00 64.86 65.27 1weu h ILE 59 Cb 0.40 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 36.26 1weu h ILE 59 CO -0.14 0.00 -0.65 -1.84 0.00 0.00 0.00 178.15 175.52 1weu n GLU 60 N -3.79 -2.15 -3.38 2.37 0.28 -1.23 -4.87 120.64 107.87 1weu n GLU 60 Ca -0.06 0.23 0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1weu n GLU 60 Cb 0.19 -4.85 -0.03 0.00 1.43 0.00 0.00 31.44 28.18 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 -2.95 -1.12 0.17 -1.84 0.52 -1.26 -3.34 118.94 109.12 1weu s TRP 61 Ca 0.57 1.61 0.02 0.00 0.02 0.00 0.00 56.10 58.32 1weu s TRP 61 Cb -0.32 0.55 -0.01 0.00 -1.15 0.00 0.00 33.47 32.54 1weu s TRP 61 CO 0.70 -0.58 0.19 1.19 0.02 0.00 0.00 176.95 178.47 1weu n PHE 62 N 5.32 -0.63 -3.58 -1.98 3.72 -1.26 -2.00 117.46 117.05 1weu n PHE 62 Ca -0.08 -1.35 -0.11 0.00 -0.05 0.00 0.00 57.45 55.86 1weu n PHE 62 Cb 0.51 0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 1weu n PHE 62 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1weu n HIS 63 N -0.32 -1.33 -0.12 1.38 8.25 -1.26 -3.50 115.22 118.33 1weu n HIS 63 Ca 0.03 -1.00 -0.24 0.00 -0.26 0.00 0.00 57.72 56.25 1weu n HIS 63 Cb 0.31 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 1weu n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1weu n PHE 64 N -1.13 0.28 0.57 4.41 3.01 -1.26 -4.17 117.46 119.17 1weu n PHE 64 Ca 0.00 0.09 -0.02 0.00 1.01 0.00 0.00 57.45 58.53 1weu n PHE 64 Cb 0.27 -1.03 0.06 0.00 -0.01 0.00 0.00 39.48 38.77 1weu n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weu n ALA 65 N -3.70 2.98 0.00 4.37 0.00 -1.26 -1.07 120.51 121.84 1weu n ALA 65 Ca -0.46 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1weu n ALA 65 Cb 0.91 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.55 0.04 0.00 0.00 0.24 -1.21 -5.02 118.33 110.83 1weu n VAL 67 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1weu n VAL 67 Cb 0.26 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 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 2.90 0.67 2.91 7.63 0.00 -0.49 -5.11 105.19 113.70 1weu n GLY 68 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 1weu n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weu s LEU 69 N 0.00 1.61 -0.16 0.99 1.43 -0.23 -5.03 118.68 117.28 1weu s LEU 69 Ca 0.00 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1weu s LEU 69 Cb 0.00 -0.32 -0.11 0.00 0.03 0.00 0.00 46.19 45.78 1weu s LEU 69 CO 0.00 -0.01 -0.13 0.35 0.23 0.00 0.00 176.35 176.79 1weu n THR 70 N 3.56 0.95 -3.79 5.49 -2.24 -1.26 -4.49 114.28 112.50 1weu n THR 70 Ca -0.20 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 60.94 1weu n THR 70 Cb 0.54 -1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 67.55 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1weu s THR 71 N -2.33 0.60 -0.45 4.28 -4.23 -1.26 -5.08 115.64 107.16 1weu s THR 71 Ca -0.21 -0.26 -0.41 0.00 -1.18 0.00 0.00 61.69 59.63 1weu s THR 71 Cb 0.06 -0.87 -0.17 0.00 1.34 0.00 0.00 72.50 72.85 1weu s THR 71 CO 0.40 0.09 1.85 1.17 -0.54 0.00 0.00 174.62 177.58 1weu n LYS 72 N 5.05 0.00 0.19 3.99 4.81 -1.26 -4.78 118.16 126.16 1weu n LYS 72 Ca -0.09 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.40 1weu n LYS 72 Cb 0.49 -1.36 0.38 0.00 0.02 0.00 0.00 35.03 34.56 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 7.45 0.00 -5.30 1.64 0.13 -1.96 -3.46 132.00 130.50 1weu h PRO 73 Ca -0.15 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.65 1weu h PRO 73 Cb 1.28 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 1weu h PRO 73 CO 0.97 0.36 -0.47 2.89 -0.23 0.00 0.00 178.00 181.52 1weu n ARG 74 N -3.73 -1.10 0.00 0.86 1.85 -1.26 -4.62 116.66 108.67 1weu n ARG 74 Ca -0.01 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1weu n ARG 74 Cb 0.45 -3.01 0.00 0.00 -1.05 0.00 0.00 32.46 28.85 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1weu n GLY 75 N -0.76 0.91 2.34 2.89 0.00 -1.26 -5.05 105.19 104.27 1weu n GLY 75 Ca 0.06 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 1.62 -3.45 1.61 4.76 -1.26 -4.95 118.16 116.49 1weu n LYS 76 Ca 0.00 -3.91 -0.43 0.00 -2.87 0.00 0.00 58.31 51.10 1weu n LYS 76 Cb 0.00 -1.73 -0.08 0.00 -1.84 0.00 0.00 35.03 31.38 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 -1.98 3.29 -0.13 2.13 -0.00 -1.26 -5.01 118.94 115.98 1weu s TRP 77 Ca 0.38 -1.25 -0.15 0.00 -0.00 0.00 0.00 56.10 55.08 1weu s TRP 77 Cb 0.19 -3.27 -0.05 0.00 -0.00 0.00 0.00 33.47 30.34 1weu s TRP 77 CO -0.07 -0.87 0.37 -0.06 -0.00 0.00 0.00 176.95 176.32 1weu s PHE 78 N 1.55 3.51 0.75 5.86 0.40 -1.26 -3.15 117.98 125.63 1weu s PHE 78 Ca 0.04 0.74 -0.15 0.00 -0.60 0.00 0.00 56.93 56.95 1weu s PHE 78 Cb -0.25 -2.41 -0.00 0.00 0.51 0.00 0.00 43.02 40.86 1weu s PHE 78 CO 0.04 0.25 0.78 0.00 0.70 0.00 0.00 175.22 176.99 1weu n PRO 80 N -1.55 0.49 -0.07 0.00 -0.04 -1.26 -2.19 135.00 130.38 1weu n PRO 80 Ca 0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1weu n PRO 80 Cb 0.50 -1.23 -0.14 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.73 1.08 -0.09 0.54 1.74 -1.26 -4.44 116.66 113.50 1weu n ARG 81 Ca 0.05 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1weu n ARG 81 Cb 0.02 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.00 -0.41 0.66 0.00 0.87 -1.76 1.37 113.55 113.28 1weu h SER 83 Ca -0.21 0.28 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 1weu h SER 83 Cb 0.98 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 1weu h SER 83 CO -0.13 -0.36 -0.77 0.06 -0.53 0.00 0.00 176.83 175.11 1weu h GLN 84 N 0.01 0.08 -4.51 2.24 3.07 -1.78 -3.40 115.11 110.82 1weu h GLN 84 Ca 0.62 -0.08 -0.70 0.00 0.09 0.00 0.00 58.65 58.58 1weu h GLN 84 Cb 1.30 0.02 -0.32 0.00 0.08 0.00 0.00 27.48 28.56 1weu h GLN 84 CO -0.90 0.81 -0.54 -2.00 0.09 0.00 0.00 178.83 176.29 1weu s GLU 85 N -3.32 2.32 -0.15 0.06 2.56 0.47 -4.93 118.70 115.71 1weu s GLU 85 Ca -0.02 -1.59 -0.10 0.00 0.00 0.00 0.00 54.97 53.27 1weu s GLU 85 Cb 0.11 -3.60 -0.24 0.00 2.00 0.00 0.00 34.13 32.40 1weu s GLU 85 CO 0.80 -0.96 0.30 0.43 -0.56 0.00 0.00 175.26 175.27 1weu n SER 86 N 4.73 2.07 0.00 -1.70 7.64 -1.22 -4.54 113.62 120.59 1weu n SER 86 Ca -0.07 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1weu n SER 86 Cb 0.42 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1weu n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1weu n GLY 87 N 1.88 2.82 3.56 0.23 0.00 -1.26 -3.94 105.19 108.47 1weu n GLY 87 Ca -0.33 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1weu n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weu s PRO 88 N 0.00 2.58 0.20 1.61 0.04 -1.26 -4.94 135.00 133.23 1weu s PRO 88 Ca 0.00 0.05 -0.32 0.00 0.04 0.00 0.00 61.00 60.77 1weu s PRO 88 Cb 0.00 -4.81 -0.15 0.00 0.04 0.00 0.00 34.50 29.58 1weu s PRO 88 CO 0.00 -3.14 1.25 0.45 0.04 0.00 0.00 177.00 175.60 1weu n SER 89 N 13.53 1.84 -3.50 6.66 2.88 -1.25 -4.98 113.62 128.80 1weu n SER 89 Ca 0.33 1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 58.82 1weu n SER 89 Cb 0.49 -1.29 -0.13 0.00 -0.75 0.00 0.00 64.21 62.53 1weu n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1weu s SER 90 N 0.09 1.62 0.00 -3.46 0.01 -1.26 -5.25 113.70 105.45 1weu s SER 90 Ca 0.71 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1weu s SER 90 Cb -0.78 0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1weu s SER 90 CO 0.51 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.43