#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 0.31 1.61 1.04 -1.26 -5.19 113.70 110.19 1weu s SER 2 Ca 0.00 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 1weu s SER 2 Cb 0.00 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.80 1weu s SER 2 CO 0.00 -1.31 0.61 -0.94 0.98 0.00 0.00 173.24 172.58 1weu s SER 3 N -3.20 0.12 0.00 7.02 1.04 -1.26 -5.19 113.70 112.23 1weu s SER 3 Ca 0.18 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1weu s SER 3 Cb -0.04 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1weu s SER 3 CO 0.08 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1weu n GLY 4 N -0.48 4.68 3.49 7.32 0.00 -1.26 -5.19 105.19 113.76 1weu n GLY 4 Ca -0.03 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 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 0.15 -0.45 0.31 1.61 0.15 -1.26 -5.19 113.70 109.02 1weu s SER 5 Ca 0.00 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1weu s SER 5 Cb 0.00 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1weu s SER 5 CO 0.00 -0.85 0.20 -0.44 1.20 0.00 0.00 173.24 173.34 1weu s SER 6 N -2.66 1.53 0.00 5.45 0.01 -1.26 -5.18 113.70 111.59 1weu s SER 6 Ca 0.04 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.68 1weu s SER 6 Cb -0.01 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1weu s SER 6 CO -0.10 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.21 1weu n GLY 7 N -0.59 5.83 3.49 3.44 0.00 -1.26 -5.18 105.19 110.92 1weu n GLY 7 Ca 0.03 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 1.00 -0.60 1.13 1.61 0.15 -1.26 -5.18 113.70 110.55 1weu s SER 8 Ca 0.00 1.09 -0.11 0.00 0.70 0.00 0.00 55.95 57.64 1weu s SER 8 Cb 0.00 1.10 0.16 0.00 -1.71 0.00 0.00 66.02 65.57 1weu s SER 8 CO 0.00 -0.26 0.57 -0.81 1.20 0.00 0.00 173.24 173.94 1weu n PRO 9 N 2.49 -2.15 -3.62 5.44 -0.04 -1.26 -5.10 135.00 130.76 1weu n PRO 9 Ca -0.15 -0.92 -0.11 0.00 -0.04 0.00 0.00 63.50 62.29 1weu n PRO 9 Cb 0.56 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 33.12 1weu n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1weu s GLU 10 N -4.30 1.14 0.41 0.54 2.12 -1.26 -5.19 118.70 112.17 1weu s GLU 10 Ca 0.37 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1weu s GLU 10 Cb -0.04 0.49 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 1weu s GLU 10 CO 0.29 -0.46 0.08 -0.47 -0.54 0.00 0.00 175.26 174.16 1weu s TYR 11 N -3.81 1.87 0.00 5.30 5.04 -1.26 -5.17 117.35 119.33 1weu s TYR 11 Ca 0.04 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 1weu s TYR 11 Cb 0.01 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 41.02 1weu s TYR 11 CO -0.11 -0.09 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 1weu n GLY 12 N -0.93 2.43 3.64 8.97 0.00 -1.26 -5.18 105.19 112.86 1weu n GLY 12 Ca -0.08 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.80 1weu n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1weu s MET 13 N -1.66 0.58 0.80 1.61 1.75 -1.26 -5.17 119.30 115.95 1weu s MET 13 Ca 0.00 0.96 -0.11 0.00 -1.25 0.00 0.00 55.69 55.29 1weu s MET 13 Cb 0.00 0.14 0.07 0.00 2.84 0.00 0.00 34.83 37.88 1weu s MET 13 CO 0.00 -0.11 1.09 -1.25 -0.65 0.00 0.00 175.02 174.10 1weu s PRO 14 N 1.34 2.07 0.21 4.11 0.04 -1.26 -5.08 135.00 136.44 1weu s PRO 14 Ca -0.08 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.07 1weu s PRO 14 Cb -0.04 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1weu s PRO 14 CO -0.16 -1.75 0.07 -1.54 0.04 0.00 0.00 177.00 173.66 1weu s SER 15 N -3.40 1.01 -0.27 6.66 1.04 -1.26 -5.17 113.70 112.31 1weu s SER 15 Ca 0.62 -1.30 -0.22 0.00 0.48 0.00 0.00 55.95 55.52 1weu s SER 15 Cb -0.17 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.21 1weu s SER 15 CO 0.56 -0.69 0.74 0.54 0.98 0.00 0.00 173.24 175.37 1weu s VAL 16 N -3.79 0.00 -0.14 5.02 0.11 -1.26 -5.18 120.40 115.16 1weu s VAL 16 Ca 0.32 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.06 1weu s VAL 16 Cb 0.07 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 34.05 1weu s VAL 16 CO 0.09 0.00 1.09 0.28 -3.33 0.00 0.00 175.10 173.24 1weu s THR 17 N 0.77 0.00 0.02 5.04 -1.32 -1.26 -5.18 115.64 113.70 1weu s THR 17 Ca -0.03 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.41 1weu s THR 17 Cb -0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.93 1weu s THR 17 CO -0.06 0.00 0.06 0.72 -2.21 0.00 0.00 174.62 173.13 1weu s PHE 18 N -2.24 0.17 -0.27 9.09 -0.71 -1.26 -5.15 117.98 117.61 1weu s PHE 18 Ca 0.06 -0.38 -0.06 0.00 -1.04 0.00 0.00 56.93 55.50 1weu s PHE 18 Cb -0.01 -0.13 0.13 0.00 -1.21 0.00 0.00 43.02 41.81 1weu s PHE 18 CO -0.05 -0.27 0.55 0.20 -1.34 0.00 0.00 175.22 174.32 1weu s GLY 19 N -1.59 -0.67 0.11 1.99 0.00 -1.26 -5.16 107.32 100.74 1weu s GLY 19 Ca -0.13 1.88 -0.13 0.00 0.00 0.00 0.00 44.72 46.34 1weu s GLY 19 CO -0.01 2.94 0.31 -0.45 0.00 0.00 0.00 173.10 175.89 1weu s SER 20 N 2.78 -0.08 0.23 1.64 0.15 -1.26 -5.18 113.70 111.99 1weu s SER 20 Ca 0.03 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.30 1weu s SER 20 Cb -0.13 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1weu s SER 20 CO -0.18 -0.80 -0.17 0.54 1.20 0.00 0.00 173.24 173.83 1weu s VAL 21 N -3.83 2.05 0.08 4.45 0.11 -1.26 -5.08 120.40 116.92 1weu s VAL 21 Ca 0.04 -2.27 -0.26 0.00 -2.93 0.00 0.00 61.98 56.57 1weu s VAL 21 Cb 0.03 -2.13 -0.14 0.00 -1.53 0.00 0.00 36.38 32.61 1weu s VAL 21 CO -0.11 -0.49 0.60 1.41 -3.33 0.00 0.00 175.10 173.18 1weu n HIS 22 N -0.41 0.04 -0.06 1.54 8.25 -1.26 -4.86 115.22 118.46 1weu n HIS 22 Ca -0.07 0.77 -0.13 0.00 -0.26 0.00 0.00 57.72 58.03 1weu n HIS 22 Cb 0.60 -1.54 -0.07 0.00 1.12 0.00 0.00 29.99 30.10 1weu n HIS 22 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1weu h PRO 23 N 1.49 0.40 -7.06 -0.41 0.13 -2.08 -3.46 132.00 121.00 1weu h PRO 23 Ca -0.30 -0.21 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 1weu h PRO 23 Cb 1.09 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 31.90 1weu h PRO 23 CO 0.46 0.77 -0.89 0.43 -0.23 0.00 0.00 178.00 178.54 1weu n SER 24 N -4.52 -2.23 -2.59 1.44 7.64 -1.26 -4.81 113.62 107.27 1weu n SER 24 Ca -0.06 -1.18 -0.12 0.00 1.01 0.00 0.00 58.87 58.53 1weu n SER 24 Cb 0.37 -1.96 0.03 0.00 -1.01 0.00 0.00 64.21 61.64 1weu n SER 24 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1weu n ASP 25 N -2.53 2.54 -3.95 6.43 5.68 -1.26 -4.99 116.55 118.47 1weu n ASP 25 Ca 0.10 -2.85 -0.42 0.00 -0.50 0.00 0.00 54.79 51.12 1weu n ASP 25 Cb 0.47 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 1weu n ASP 25 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1weu n VAL 26 N -0.37 3.29 -3.35 2.12 0.24 -1.26 -4.94 118.33 114.07 1weu n VAL 26 Ca 0.19 -3.04 -0.38 0.00 -2.04 0.00 0.00 64.34 59.07 1weu n VAL 26 Cb 0.80 -2.50 -0.06 0.00 -1.47 0.00 0.00 33.84 30.62 1weu n VAL 26 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1weu s LEU 27 N 2.91 4.38 -0.88 1.34 2.96 -1.26 -5.00 118.68 123.13 1weu s LEU 27 Ca 0.51 0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 55.13 1weu s LEU 27 Cb 0.11 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 1weu s LEU 27 CO -0.02 0.14 1.81 -0.62 -1.32 0.00 0.00 176.35 176.35 1weu s ASP 28 N -0.18 5.46 0.52 3.68 2.15 -1.26 -4.96 116.67 122.08 1weu s ASP 28 Ca 0.26 -0.69 -0.23 0.00 0.43 0.00 0.00 52.55 52.33 1weu s ASP 28 Cb -0.17 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.84 1weu s ASP 28 CO 0.13 -2.43 1.36 -0.04 -0.17 0.00 0.00 175.17 174.03 1weu s MET 29 N 6.57 3.29 1.16 4.34 -1.94 -1.26 -5.00 119.30 126.46 1weu s MET 29 Ca 0.64 2.25 -0.18 0.00 -1.71 0.00 0.00 55.69 56.69 1weu s MET 29 Cb -0.06 -2.35 0.26 0.00 2.01 0.00 0.00 34.83 34.69 1weu s MET 29 CO 0.01 -1.07 1.10 -1.25 -0.01 0.00 0.00 175.02 173.80 1weu s PRO 30 N -2.80 -0.85 0.28 2.03 0.04 -1.26 -4.97 135.00 127.47 1weu s PRO 30 Ca 0.69 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 1weu s PRO 30 Cb -0.40 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1weu s PRO 30 CO 0.49 -3.49 1.34 0.54 0.04 0.00 0.00 177.00 175.91 1weu s VAL 31 N -2.99 2.82 0.18 -0.36 0.11 -1.26 -5.03 120.40 113.87 1weu s VAL 31 Ca 0.70 0.76 0.07 0.00 -2.93 0.00 0.00 61.98 60.57 1weu s VAL 31 Cb -0.12 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1weu s VAL 31 CO 0.56 0.15 0.04 -1.81 -3.33 0.00 0.00 175.10 170.72 1weu s ASP 32 N -0.10 4.97 0.00 3.54 1.01 -1.26 -5.00 116.67 119.84 1weu s ASP 32 Ca 0.53 -0.35 0.11 0.00 0.71 0.00 0.00 52.55 53.55 1weu s ASP 32 Cb -0.39 -1.12 0.64 0.00 1.01 0.00 0.00 42.92 43.05 1weu s ASP 32 CO 0.47 0.07 1.08 -0.81 0.21 0.00 0.00 175.17 176.18 1weu n PRO 33 N -0.30 0.49 -0.04 8.23 -0.04 -1.26 -3.48 135.00 138.60 1weu n PRO 33 Ca -0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.27 1weu n PRO 33 Cb 0.56 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.19 -2.70 3.54 -1.07 -2.02 -3.44 115.58 110.08 1weu h ASN 34 Ca 0.00 -0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.82 1weu h ASN 34 Cb 0.00 -0.04 0.22 0.00 -2.07 0.00 0.00 38.32 36.43 1weu h ASN 34 CO 0.00 0.14 -1.15 -0.62 0.07 0.00 0.00 177.43 175.87 1weu n GLU 35 N -4.97 -0.09 -1.25 4.14 -0.58 -1.23 -4.93 120.64 111.74 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 0.04 -1.44 0.10 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.69 2.15 0.04 3.49 0.04 -1.26 -4.80 135.00 131.97 1weu s PRO 36 Ca 0.50 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.76 1weu s PRO 36 Cb -0.23 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1weu s PRO 36 CO 0.73 -1.71 -0.21 0.95 0.04 0.00 0.00 177.00 176.80 1weu s THR 37 N -2.90 1.69 0.12 1.26 -4.23 -1.26 -3.80 115.64 106.52 1weu s THR 37 Ca 0.61 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1weu s THR 37 Cb -0.17 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1weu s THR 37 CO 0.56 0.22 0.00 -1.22 -0.54 0.00 0.00 174.62 173.65 1weu n TYR 38 N 1.88 -0.66 -0.90 3.99 4.02 -1.23 -4.90 117.16 119.35 1weu n TYR 38 Ca -0.17 0.12 -0.30 0.00 -0.01 0.00 0.00 57.90 57.54 1weu n TYR 38 Cb 0.53 0.19 0.02 0.00 -0.02 0.00 0.00 39.34 40.06 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 -0.32 -0.52 -1.73 0.00 3.38 -1.96 0.49 115.31 114.65 1weu h LEU 40 Ca -0.33 0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1weu h LEU 40 Cb 1.09 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1weu h LEU 40 CO 0.27 -0.18 0.52 0.00 0.09 0.00 0.00 178.44 179.14 1weu n HIS 42 N -3.25 -0.72 -4.02 0.00 -0.00 0.17 -5.05 115.22 102.34 1weu n HIS 42 Ca 0.05 0.24 -0.23 0.00 0.46 0.00 0.00 57.72 58.24 1weu n HIS 42 Cb 0.65 -2.05 -0.06 0.00 -0.12 0.00 0.00 29.99 28.41 1weu n HIS 42 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1weu s GLN 43 N -5.24 2.47 0.03 1.57 -1.52 -1.26 -4.78 119.66 110.93 1weu s GLN 43 Ca 0.14 -1.48 -0.34 0.00 -1.95 0.00 0.00 55.36 51.74 1weu s GLN 43 Cb -0.06 -2.26 -0.12 0.00 -0.22 0.00 0.00 33.01 30.35 1weu s GLN 43 CO 0.17 0.11 1.77 1.33 -0.25 0.00 0.00 175.29 178.43 1weu n VAL 44 N -1.21 0.36 -2.04 1.09 0.24 -1.26 -3.51 118.33 112.00 1weu n VAL 44 Ca -0.03 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 1weu n VAL 44 Cb 0.61 -1.80 -0.03 0.00 -1.47 0.00 0.00 33.84 31.15 1weu n VAL 44 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1weu s SER 45 N 2.82 6.36 0.22 -1.34 1.04 -1.25 -4.98 113.70 116.57 1weu s SER 45 Ca 0.86 1.77 0.03 0.00 0.48 0.00 0.00 55.95 59.09 1weu s SER 45 Cb -0.65 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 62.97 1weu s SER 45 CO 0.45 -1.25 0.26 0.00 0.98 0.00 0.00 173.24 173.67 1weu n TYR 46 N 8.46 -2.27 0.00 5.02 4.11 -1.26 -5.06 117.16 126.16 1weu n TYR 46 Ca 0.19 -0.83 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 1weu n TYR 46 Cb 0.45 -0.20 0.00 0.00 -0.00 0.00 0.00 39.34 39.59 1weu n TYR 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1weu n GLY 47 N 2.37 -2.80 2.36 -7.48 0.00 -1.26 -4.47 105.19 93.90 1weu n GLY 47 Ca 0.04 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.70 0.00 -3.64 1.61 4.71 -1.26 -4.89 120.64 116.47 1weu n GLU 48 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 1weu n GLU 48 Cb 0.00 -1.00 -0.07 0.00 -1.01 0.00 0.00 31.44 29.36 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1weu s MET 49 N 2.91 0.60 -0.05 3.49 -1.94 -1.26 -4.49 119.30 118.56 1weu s MET 49 Ca 0.75 0.84 0.05 0.00 -1.71 0.00 0.00 55.69 55.62 1weu s MET 49 Cb -1.00 0.22 -0.07 0.00 2.01 0.00 0.00 34.83 35.99 1weu s MET 49 CO 0.50 -0.09 0.03 0.44 -0.01 0.00 0.00 175.02 175.89 1weu n ILE 50 N 3.10 0.33 -1.33 2.53 -0.00 -1.26 -5.02 119.36 117.70 1weu n ILE 50 Ca -0.16 -0.22 0.14 0.00 -0.00 0.00 0.00 62.75 62.51 1weu n ILE 50 Cb 0.57 -0.71 -0.08 0.00 -0.00 0.00 0.00 39.64 39.42 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 2.61 -3.44 3.69 3.28 0.00 -1.26 -4.83 105.19 105.24 1weu n GLY 51 Ca -0.08 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 7.13 0.03 -2.52 0.00 1.82 -1.88 -3.41 116.42 117.59 1weu h ASP 53 Ca -0.38 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.72 1weu h ASP 53 Cb 1.16 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.17 1weu h ASP 53 CO 0.73 0.02 1.15 0.21 -1.61 0.00 0.00 179.24 179.74 1weu s ASN 54 N -6.58 6.52 0.34 2.28 2.47 -1.26 -4.88 114.94 113.82 1weu s ASN 54 Ca -0.05 2.30 0.13 0.00 0.42 0.00 0.00 52.86 55.65 1weu s ASN 54 Cb 0.19 -2.53 0.59 0.00 -1.45 0.00 0.00 41.25 38.04 1weu s ASN 54 CO 0.71 -1.04 1.74 1.55 -3.72 0.00 0.00 177.10 176.34 1weu h PRO 55 N 10.20 0.00 -0.16 0.43 0.13 -2.03 -2.99 132.00 137.58 1weu h PRO 55 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 1weu h PRO 55 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1weu h PRO 55 CO 0.95 0.47 -0.47 -0.44 -0.23 0.00 0.00 178.00 178.28 1weu h ASP 56 N 0.00 0.44 -1.33 1.44 3.32 -1.95 -3.44 116.42 114.89 1weu h ASP 56 Ca -0.00 -0.21 -0.78 0.00 0.02 0.00 0.00 57.03 56.05 1weu h ASP 56 Cb 0.85 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.29 1weu h ASP 56 CO 0.06 0.85 0.87 0.00 -1.72 0.00 0.00 179.24 179.29 1weu h SER 58 N 6.74 0.25 0.10 0.00 0.87 -1.90 -3.26 113.55 116.35 1weu h SER 58 Ca -0.44 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1weu h SER 58 Cb 1.34 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1weu h SER 58 CO 0.97 0.41 -0.05 0.40 -0.53 0.00 0.00 176.83 178.04 1weu h ILE 59 N 0.07 1.13 -6.44 2.23 2.04 -1.93 -3.46 117.51 111.15 1weu h ILE 59 Ca 0.05 -1.06 -0.51 0.00 1.00 0.00 0.00 64.86 64.34 1weu h ILE 59 Cb 0.26 1.78 -0.30 0.00 -0.74 0.00 0.00 36.82 37.82 1weu h ILE 59 CO 0.00 0.25 -0.74 -1.84 0.00 0.00 0.00 178.15 175.82 1weu n GLU 60 N -4.92 -0.78 -3.64 2.37 0.28 -1.23 -4.84 120.64 107.88 1weu n GLU 60 Ca -0.08 0.11 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 1weu n GLU 60 Cb 0.26 -3.75 -0.07 0.00 1.43 0.00 0.00 31.44 29.31 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 -2.94 -0.57 0.18 -1.84 0.52 -1.26 -3.63 118.94 109.40 1weu s TRP 61 Ca 0.62 1.33 -0.09 0.00 0.02 0.00 0.00 56.10 57.98 1weu s TRP 61 Cb -0.36 0.36 0.03 0.00 -1.15 0.00 0.00 33.47 32.36 1weu s TRP 61 CO 0.83 -0.28 0.44 1.19 0.02 0.00 0.00 176.95 179.16 1weu n PHE 62 N 2.65 -1.55 -3.83 -1.98 3.72 -1.26 -3.45 117.46 111.76 1weu n PHE 62 Ca -0.14 -0.90 -0.13 0.00 -0.05 0.00 0.00 57.45 56.23 1weu n PHE 62 Cb 0.56 0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 39.54 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 -0.30 -0.70 -0.12 1.38 8.25 -1.26 -4.18 115.22 118.28 1weu n HIS 63 Ca -0.04 -1.09 -0.23 0.00 -0.26 0.00 0.00 57.72 56.10 1weu n HIS 63 Cb 0.31 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.97 0.15 0.81 4.41 3.01 -1.26 -4.25 117.46 119.35 1weu n PHE 64 Ca -0.03 0.04 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 1weu n PHE 64 Cb 0.29 -1.02 0.03 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 -3.66 2.70 0.00 4.37 0.00 -1.26 -1.61 120.51 121.04 1weu n ALA 65 Ca -0.48 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1weu n ALA 65 Cb 0.93 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.50 -3.14 0.00 0.24 -1.17 -5.03 118.33 108.50 1weu n VAL 67 Ca 0.00 -0.92 -0.13 0.00 -2.04 0.00 0.00 64.34 61.25 1weu n VAL 67 Cb 0.01 0.44 0.01 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.20 -1.03 0.95 7.63 0.00 -0.98 -5.00 105.19 106.57 1weu n GLY 68 Ca 0.06 0.95 -0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 -0.97 0.75 -1.83 0.99 4.77 -0.64 -4.98 117.00 115.10 1weu n LEU 69 Ca -0.00 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 1weu n LEU 69 Cb 0.54 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1weu n LEU 69 CO 0.53 -0.64 -0.07 0.41 -1.33 0.00 0.00 177.39 176.29 1weu n THR 70 N -3.18 -0.15 -3.15 -5.08 -1.04 -1.26 -4.78 114.28 95.64 1weu n THR 70 Ca -0.01 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.06 1weu n THR 70 Cb 0.03 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 67.75 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1weu s THR 71 N -1.94 -0.10 -0.45 12.58 -4.23 -1.26 -5.11 115.64 115.14 1weu s THR 71 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.18 1weu s THR 71 Cb 0.00 -0.90 -0.12 0.00 1.34 0.00 0.00 72.50 72.82 1weu s THR 71 CO 0.00 0.00 2.29 1.17 -0.54 0.00 0.00 174.62 177.54 1weu n LYS 72 N 5.44 0.98 -0.10 3.99 4.81 -1.26 -4.82 118.16 127.20 1weu n LYS 72 Ca -0.07 0.22 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 1weu n LYS 72 Cb 0.55 -2.55 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 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 13.69 0.78 -4.20 1.64 0.13 -1.96 -3.46 132.00 138.63 1weu h PRO 73 Ca -0.24 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1weu h PRO 73 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1weu h PRO 73 CO 1.09 1.04 0.00 -2.13 -0.23 0.00 0.00 178.00 177.76 1weu n ARG 74 N -4.20 -2.55 -3.10 0.86 0.63 -1.26 -4.75 116.66 102.29 1weu n ARG 74 Ca -0.03 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.66 1weu n ARG 74 Cb 0.49 -3.87 -0.04 0.00 0.45 0.00 0.00 32.46 29.49 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 -0.39 4.58 3.10 5.14 0.00 -1.26 -4.89 105.19 111.46 1weu n GLY 75 Ca 0.00 -2.29 -0.19 0.00 0.00 0.00 0.00 46.02 43.54 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 0.19 -5.88 -2.09 1.61 4.76 -1.26 -4.91 118.16 110.59 1weu n LYS 76 Ca 0.28 0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 56.00 1weu n LYS 76 Cb 0.50 -5.24 -0.03 0.00 -1.84 0.00 0.00 35.03 28.42 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 -3.21 1.86 -0.15 2.13 -0.00 -1.26 -4.89 118.94 113.42 1weu s TRP 77 Ca 0.42 0.68 -0.14 0.00 -0.00 0.00 0.00 56.10 57.07 1weu s TRP 77 Cb -0.19 -4.16 -0.05 0.00 -0.00 0.00 0.00 33.47 29.08 1weu s TRP 77 CO 0.52 -2.50 0.31 -0.06 -0.00 0.00 0.00 176.95 175.22 1weu s PHE 78 N 7.51 3.48 0.76 5.86 0.40 -1.26 -3.50 117.98 131.23 1weu s PHE 78 Ca 0.70 0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 57.52 1weu s PHE 78 Cb -0.16 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.02 1weu s PHE 78 CO 0.28 0.26 0.75 0.00 0.70 0.00 0.00 175.22 177.21 1weu n PRO 80 N -1.57 0.49 -0.04 0.00 -0.04 -1.26 -2.20 135.00 130.38 1weu n PRO 80 Ca 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1weu n PRO 80 Cb 0.50 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 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 2.46 -0.08 0.54 1.74 -1.26 -4.63 116.66 115.06 1weu n ARG 81 Ca 0.00 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 1weu n ARG 81 Cb 0.02 -1.21 -0.09 0.00 -1.02 0.00 0.00 32.46 30.16 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 -4.56 0.03 -2.23 0.00 2.88 -1.12 0.19 113.62 108.82 1weu n SER 83 Ca -0.17 1.63 -0.31 0.00 -1.33 0.00 0.00 58.87 58.69 1weu n SER 83 Cb 0.47 -0.66 0.07 0.00 -0.75 0.00 0.00 64.21 63.34 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 -5.36 2.48 -1.46 -1.46 3.00 -1.26 -5.00 117.38 108.31 1weu n GLN 84 Ca 0.27 -2.90 -0.57 0.00 -0.01 0.00 0.00 57.00 53.79 1weu n GLN 84 Cb 0.91 -2.14 -0.08 0.00 0.00 0.00 0.00 30.24 28.93 1weu n GLN 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1weu n GLU 85 N -0.64 0.00 -0.86 -1.09 2.13 0.52 -4.76 120.64 115.94 1weu n GLU 85 Ca 0.56 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.24 1weu n GLU 85 Cb 0.65 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1weu n GLU 85 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1weu n SER 86 N 3.39 6.10 -4.71 4.31 7.64 -1.26 -4.93 113.62 124.15 1weu n SER 86 Ca 0.26 -2.87 -0.42 0.00 1.01 0.00 0.00 58.87 56.85 1weu n SER 86 Cb -0.05 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 1weu n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1weu s GLY 87 N 0.80 2.52 -0.15 0.23 0.00 -1.26 -4.98 107.32 104.48 1weu s GLY 87 Ca 0.28 0.79 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 1weu s GLY 87 CO -0.03 1.96 1.56 2.56 0.00 0.00 0.00 173.10 179.15 1weu s PRO 88 N 0.98 4.02 -0.21 2.90 0.04 -1.26 -4.99 135.00 136.48 1weu s PRO 88 Ca 0.57 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 1weu s PRO 88 Cb -0.28 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1weu s PRO 88 CO 0.29 -1.01 0.58 -1.12 0.04 0.00 0.00 177.00 175.78 1weu s SER 89 N 3.45 6.60 0.24 6.66 0.01 -1.26 -5.01 113.70 124.40 1weu s SER 89 Ca 0.69 0.73 -0.25 0.00 1.31 0.00 0.00 55.95 58.43 1weu s SER 89 Cb -0.27 -2.32 -0.16 0.00 0.21 0.00 0.00 66.02 63.48 1weu s SER 89 CO 0.26 -0.25 0.38 -1.54 0.41 0.00 0.00 173.24 172.50 1weu n SER 90 N 5.07 -1.61 0.00 2.44 3.41 -1.26 -5.33 113.62 116.33 1weu n SER 90 Ca -0.03 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 1weu n SER 90 Cb 0.50 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1weu n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49