#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 -0.04 0.15 1.61 0.15 -1.26 -5.19 113.70 109.11 1weu s SER 2 Ca 0.00 -0.24 -0.23 0.00 0.70 0.00 0.00 55.95 56.18 1weu s SER 2 Cb 0.00 0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.61 1weu s SER 2 CO 0.00 -0.42 1.08 -0.44 1.20 0.00 0.00 173.24 174.66 1weu s SER 3 N -3.27 -0.00 -0.02 5.45 0.01 -1.26 -5.20 113.70 109.41 1weu s SER 3 Ca 0.19 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 1weu s SER 3 Cb 0.02 0.43 0.10 0.00 0.21 0.00 0.00 66.02 66.78 1weu s SER 3 CO -0.01 -0.86 1.29 -0.83 0.41 0.00 0.00 173.24 173.24 1weu s GLY 4 N -3.44 -0.17 0.28 3.44 0.00 -1.26 -5.19 107.32 100.98 1weu s GLY 4 Ca 0.22 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.89 1weu s GLY 4 CO 0.04 4.79 0.86 -0.56 0.00 0.00 0.00 173.10 178.23 1weu s SER 5 N -3.68 -0.07 -0.28 1.64 0.01 -1.26 -5.18 113.70 104.88 1weu s SER 5 Ca 0.27 -0.82 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 1weu s SER 5 Cb 0.00 0.69 0.16 0.00 0.21 0.00 0.00 66.02 67.09 1weu s SER 5 CO -0.01 -1.34 1.27 -0.55 0.41 0.00 0.00 173.24 173.01 1weu s SER 6 N -3.11 -0.20 0.00 2.44 0.15 -1.26 -5.19 113.70 106.53 1weu s SER 6 Ca 0.16 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1weu s SER 6 Cb -0.04 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1weu s SER 6 CO 0.08 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1weu n GLY 7 N 1.57 4.52 3.30 9.45 0.00 -1.26 -5.16 105.19 117.60 1weu n GLY 7 Ca -0.10 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.80 -0.46 1.05 1.61 0.01 -1.26 -5.18 113.70 108.68 1weu s SER 8 Ca 0.00 0.55 -0.04 0.00 1.31 0.00 0.00 55.95 57.77 1weu s SER 8 Cb 0.00 1.49 0.07 0.00 0.21 0.00 0.00 66.02 67.79 1weu s SER 8 CO 0.00 -0.09 0.23 -0.81 0.41 0.00 0.00 173.24 172.98 1weu n PRO 9 N 4.99 -1.48 -3.67 12.44 -0.04 -1.26 -5.11 135.00 140.88 1weu n PRO 9 Ca -0.08 -0.37 -0.09 0.00 -0.04 0.00 0.00 63.50 62.92 1weu n PRO 9 Cb 0.53 -0.35 -0.02 0.00 -0.04 0.00 0.00 33.50 33.62 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 -3.53 1.55 0.04 0.54 -1.05 -1.26 -5.19 118.70 109.81 1weu s GLU 10 Ca 0.15 -0.76 -0.28 0.00 -0.15 0.00 0.00 54.97 53.93 1weu s GLU 10 Cb -0.01 0.60 0.10 0.00 -0.44 0.00 0.00 34.13 34.37 1weu s GLU 10 CO 0.12 -0.70 1.19 0.71 0.95 0.00 0.00 175.26 177.53 1weu s TYR 11 N -3.83 -0.03 0.21 4.83 2.02 -1.26 -5.20 117.35 114.09 1weu s TYR 11 Ca 0.07 -0.15 -0.09 0.00 -0.37 0.00 0.00 57.07 56.53 1weu s TYR 11 Cb -0.04 0.59 0.03 0.00 -0.40 0.00 0.00 41.96 42.14 1weu s TYR 11 CO -0.02 -0.47 0.46 0.41 -1.57 0.00 0.00 175.55 174.37 1weu n GLY 12 N -0.58 1.35 3.60 0.71 0.00 -1.26 -5.18 105.19 103.83 1weu n GLY 12 Ca -0.05 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.05 0.80 0.96 1.61 -1.94 -1.26 -5.18 119.30 112.25 1weu s MET 13 Ca 0.09 0.67 -0.16 0.00 -1.71 0.00 0.00 55.69 54.58 1weu s MET 13 Cb -0.03 0.39 0.24 0.00 2.01 0.00 0.00 34.83 37.44 1weu s MET 13 CO 0.06 -0.15 0.85 -0.35 -0.01 0.00 0.00 175.02 175.42 1weu n PRO 14 N 2.01 -2.69 -3.99 2.03 -0.04 -1.26 -5.10 135.00 125.96 1weu n PRO 14 Ca -0.14 -1.36 -0.12 0.00 -0.04 0.00 0.00 63.50 61.83 1weu n PRO 14 Cb 0.56 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 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 -3.80 0.42 0.02 3.54 0.01 -1.26 -5.19 113.70 107.44 1weu s SER 15 Ca 0.55 -1.25 -0.11 0.00 1.31 0.00 0.00 55.95 56.45 1weu s SER 15 Cb -0.05 0.70 0.01 0.00 0.21 0.00 0.00 66.02 66.89 1weu s SER 15 CO 0.43 -1.37 0.23 0.54 0.41 0.00 0.00 173.24 173.47 1weu s VAL 16 N -3.08 0.09 -0.22 3.43 0.11 -1.26 -5.16 120.40 114.31 1weu s VAL 16 Ca 0.24 -0.72 -0.10 0.00 -2.93 0.00 0.00 61.98 58.47 1weu s VAL 16 Cb -0.02 -0.76 0.08 0.00 -1.53 0.00 0.00 36.38 34.15 1weu s VAL 16 CO 0.15 -0.40 0.50 0.28 -3.33 0.00 0.00 175.10 172.30 1weu s THR 17 N -2.06 -0.30 0.60 5.04 -1.32 -1.26 -5.17 115.64 111.18 1weu s THR 17 Ca -0.09 0.08 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1weu s THR 17 Cb -0.03 -0.75 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1weu s THR 17 CO -0.01 0.03 0.84 0.72 -2.21 0.00 0.00 174.62 173.99 1weu s PHE 18 N 1.95 2.42 -0.12 9.09 -0.71 -1.26 -5.12 117.98 124.23 1weu s PHE 18 Ca -0.07 -0.13 -0.08 0.00 -1.04 0.00 0.00 56.93 55.62 1weu s PHE 18 Cb -0.09 -2.79 0.04 0.00 -1.21 0.00 0.00 43.02 38.97 1weu s PHE 18 CO -0.15 -1.12 0.29 0.20 -1.34 0.00 0.00 175.22 173.10 1weu s GLY 19 N -4.53 -0.20 -0.25 1.99 0.00 -1.26 -5.15 107.32 97.92 1weu s GLY 19 Ca 0.60 1.05 -0.15 0.00 0.00 0.00 0.00 44.72 46.22 1weu s GLY 19 CO 0.40 1.17 0.62 -1.35 0.00 0.00 0.00 173.10 173.94 1weu s SER 20 N 0.94 -0.82 0.71 1.64 1.04 -1.26 -5.16 113.70 110.79 1weu s SER 20 Ca -0.06 1.34 -0.11 0.00 0.48 0.00 0.00 55.95 57.59 1weu s SER 20 Cb -0.07 1.23 0.02 0.00 0.10 0.00 0.00 66.02 67.29 1weu s SER 20 CO -0.07 -0.23 1.07 0.68 0.98 0.00 0.00 173.24 175.68 1weu s VAL 21 N 1.46 3.80 0.04 5.02 -7.23 -1.26 -5.08 120.40 117.14 1weu s VAL 21 Ca -0.09 0.61 0.01 0.00 -1.81 0.00 0.00 61.98 60.70 1weu s VAL 21 Cb -0.06 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1weu s VAL 21 CO -0.16 -0.73 -0.05 -1.00 -0.31 0.00 0.00 175.10 172.85 1weu s HIS 22 N -2.93 0.47 0.14 2.82 3.76 -1.26 -5.14 115.29 113.16 1weu s HIS 22 Ca 0.60 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 54.58 1weu s HIS 22 Cb -0.15 -0.31 -0.08 0.00 1.11 0.00 0.00 32.58 33.15 1weu s HIS 22 CO 0.53 -0.18 1.34 -1.25 -0.85 0.00 0.00 174.74 174.33 1weu s PRO 23 N -2.00 4.36 0.18 8.40 0.04 -1.26 -5.03 135.00 139.69 1weu s PRO 23 Ca -0.09 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.04 1weu s PRO 23 Cb -0.07 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1weu s PRO 23 CO -0.02 -0.35 0.15 -1.12 0.04 0.00 0.00 177.00 175.70 1weu s SER 24 N 0.79 5.52 -0.30 6.66 0.01 -1.26 -5.11 113.70 120.01 1weu s SER 24 Ca 0.61 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.57 1weu s SER 24 Cb -0.36 -1.43 0.18 0.00 0.21 0.00 0.00 66.02 64.61 1weu s SER 24 CO 0.33 0.05 1.06 1.51 0.41 0.00 0.00 173.24 176.60 1weu s ASP 25 N -3.24 -0.46 -0.24 2.44 -4.77 -1.26 -5.17 116.67 103.98 1weu s ASP 25 Ca 0.31 0.41 -0.20 0.00 -3.30 0.00 0.00 52.55 49.77 1weu s ASP 25 Cb -0.10 1.43 0.06 0.00 -1.09 0.00 0.00 42.92 43.23 1weu s ASP 25 CO 0.24 -0.09 0.62 0.54 0.70 0.00 0.00 175.17 177.18 1weu s VAL 26 N 2.69 -0.00 0.08 2.11 0.11 -1.26 -5.17 120.40 118.95 1weu s VAL 26 Ca -0.01 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1weu s VAL 26 Cb -0.08 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1weu s VAL 26 CO -0.14 0.00 -0.00 -0.22 -3.33 0.00 0.00 175.10 171.41 1weu s LEU 27 N 0.56 3.46 -0.10 2.54 2.96 -1.26 -5.12 118.68 121.72 1weu s LEU 27 Ca -0.02 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1weu s LEU 27 Cb -0.05 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.51 1weu s LEU 27 CO -0.03 0.19 -0.05 1.51 -1.32 0.00 0.00 176.35 176.66 1weu s ASP 28 N -2.18 2.01 0.19 3.68 -4.77 -1.26 -5.11 116.67 109.22 1weu s ASP 28 Ca 0.25 -0.25 -0.32 0.00 -3.30 0.00 0.00 52.55 48.93 1weu s ASP 28 Cb -0.12 -0.70 -0.15 0.00 -1.09 0.00 0.00 42.92 40.86 1weu s ASP 28 CO 0.17 -0.15 1.17 0.80 0.70 0.00 0.00 175.17 177.85 1weu n MET 29 N 5.01 1.23 -1.16 2.11 1.56 -1.26 -4.94 117.12 119.68 1weu n MET 29 Ca -0.10 0.44 -0.29 0.00 -0.27 0.00 0.00 57.70 57.48 1weu n MET 29 Cb 0.50 -1.94 0.18 0.00 2.15 0.00 0.00 33.22 34.11 1weu n MET 29 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1weu s PRO 30 N -0.47 0.30 0.55 2.12 0.04 -1.26 -5.01 135.00 131.27 1weu s PRO 30 Ca 0.72 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 1weu s PRO 30 Cb -0.83 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1weu s PRO 30 CO 0.53 -2.81 1.07 0.08 0.04 0.00 0.00 177.00 175.90 1weu s VAL 31 N -2.96 3.63 0.11 -0.36 1.01 -1.26 -5.07 120.40 115.50 1weu s VAL 31 Ca 0.66 0.90 0.05 0.00 0.00 0.00 0.00 61.98 63.59 1weu s VAL 31 Cb -0.19 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1weu s VAL 31 CO 0.58 -0.33 -0.12 -1.81 0.00 0.00 0.00 175.10 173.41 1weu s ASP 32 N -2.28 1.79 0.00 3.32 1.11 -1.26 -5.02 116.67 114.32 1weu s ASP 32 Ca 0.67 -0.81 0.14 0.00 0.18 0.00 0.00 52.55 52.73 1weu s ASP 32 Cb -0.18 -0.04 0.67 0.00 1.07 0.00 0.00 42.92 44.44 1weu s ASP 32 CO 0.29 -0.19 1.44 -0.81 1.18 0.00 0.00 175.17 177.08 1weu n PRO 33 N 0.54 0.08 -0.19 8.23 -0.04 -1.26 -3.52 135.00 138.85 1weu n PRO 33 Ca -0.16 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1weu n PRO 33 Cb 0.57 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1weu n PRO 33 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1weu h ASN 34 N 0.00 -0.41 -4.19 3.54 4.21 -2.03 -3.41 115.58 113.29 1weu h ASN 34 Ca 0.00 0.16 -0.53 0.00 1.21 0.00 0.00 56.30 57.14 1weu h ASN 34 Cb 0.20 0.31 0.15 0.00 -1.12 0.00 0.00 38.32 37.86 1weu h ASN 34 CO 0.00 -0.15 0.38 -1.61 -1.29 0.00 0.00 177.43 174.76 1weu s GLU 35 N -6.19 2.20 0.98 0.81 0.41 -1.23 -5.01 118.70 110.66 1weu s GLU 35 Ca -0.14 1.67 -0.12 0.00 -0.41 0.00 0.00 54.97 55.97 1weu s GLU 35 Cb 0.18 -1.85 0.18 0.00 -1.78 0.00 0.00 34.13 30.86 1weu s GLU 35 CO 0.73 -1.77 1.09 -1.25 -0.49 0.00 0.00 175.26 173.57 1weu s PRO 36 N -4.00 0.59 0.07 0.39 0.04 -1.26 -4.81 135.00 126.02 1weu s PRO 36 Ca 0.72 0.59 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1weu s PRO 36 Cb -0.27 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1weu s PRO 36 CO 0.45 -2.64 -0.13 0.95 0.04 0.00 0.00 177.00 175.67 1weu s THR 37 N -2.95 1.04 0.02 1.26 -4.23 -1.26 -3.83 115.64 105.69 1weu s THR 37 Ca 0.65 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1weu s THR 37 Cb -0.18 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1weu s THR 37 CO 0.57 -0.23 0.00 -1.22 -0.54 0.00 0.00 174.62 173.20 1weu n TYR 38 N 1.33 -0.12 -0.93 3.99 4.02 -1.21 -4.89 117.16 119.35 1weu n TYR 38 Ca -0.21 0.02 -0.37 0.00 -0.01 0.00 0.00 57.90 57.33 1weu n TYR 38 Cb 0.54 0.19 0.06 0.00 -0.02 0.00 0.00 39.34 40.12 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 -1.23 0.54 0.00 0.00 3.38 -1.96 -2.04 115.31 114.00 1weu h LEU 40 Ca -0.43 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1weu h LEU 40 Cb 1.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1weu h LEU 40 CO 0.25 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.55 1weu n HIS 42 N -0.88 -2.01 -4.53 0.00 8.25 -0.77 -5.00 115.22 110.28 1weu n HIS 42 Ca 0.12 0.73 -0.26 0.00 -0.26 0.00 0.00 57.72 58.04 1weu n HIS 42 Cb 0.05 -4.05 -0.10 0.00 1.12 0.00 0.00 29.99 27.01 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 -5.68 1.85 0.02 -0.41 -0.21 -1.26 -4.86 119.66 109.11 1weu s GLN 43 Ca 0.23 -1.94 -0.32 0.00 0.02 0.00 0.00 55.36 53.35 1weu s GLN 43 Cb -0.06 -1.72 -0.11 0.00 1.00 0.00 0.00 33.01 32.12 1weu s GLN 43 CO 0.81 0.13 1.89 1.33 -2.12 0.00 0.00 175.29 177.33 1weu n VAL 44 N -0.82 0.57 -2.11 1.09 0.24 -1.26 -3.29 118.33 112.75 1weu n VAL 44 Ca -0.05 -0.10 -0.36 0.00 -2.04 0.00 0.00 64.34 61.79 1weu n VAL 44 Cb 0.64 -2.08 -0.03 0.00 -1.47 0.00 0.00 33.84 30.89 1weu n VAL 44 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1weu s SER 45 N 3.71 5.37 0.50 -1.34 0.01 -1.25 -4.96 113.70 115.74 1weu s SER 45 Ca 0.88 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 58.18 1weu s SER 45 Cb -0.55 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.18 1weu s SER 45 CO 0.44 -2.38 0.69 -0.72 0.41 0.00 0.00 173.24 171.68 1weu s TYR 46 N 8.84 2.44 0.03 2.43 -0.85 -1.26 -4.99 117.35 123.99 1weu s TYR 46 Ca 0.64 -0.37 -0.06 0.00 -0.52 0.00 0.00 57.07 56.75 1weu s TYR 46 Cb -0.10 -2.47 -0.01 0.00 0.38 0.00 0.00 41.96 39.75 1weu s TYR 46 CO 0.14 -0.76 0.51 0.41 -1.52 0.00 0.00 175.55 174.32 1weu n GLY 47 N -2.11 -1.15 3.43 5.49 0.00 -1.26 -4.09 105.19 105.50 1weu n GLY 47 Ca 0.10 0.35 -0.47 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.44 0.25 -3.54 1.61 4.71 -1.26 -4.83 120.64 114.14 1weu n GLU 48 Ca 0.00 0.04 -0.10 0.00 -0.01 0.00 0.00 57.16 57.09 1weu n GLU 48 Cb 0.05 -1.83 -0.04 0.00 -1.01 0.00 0.00 31.44 28.61 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 7.70 0.73 0.00 3.49 -1.94 -1.26 -4.52 119.30 123.50 1weu s MET 49 Ca 1.24 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 55.20 1weu s MET 49 Cb -1.16 0.34 0.00 0.00 2.01 0.00 0.00 34.83 36.02 1weu s MET 49 CO 0.51 -0.27 0.00 0.44 -0.01 0.00 0.00 175.02 175.70 1weu n ILE 50 N 0.35 0.00 -1.49 2.53 -0.00 -1.24 -4.82 119.36 114.69 1weu n ILE 50 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1weu n ILE 50 Cb 0.59 -0.77 0.00 0.00 -0.00 0.00 0.00 39.64 39.46 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 2.52 -4.69 3.71 3.28 0.00 -1.26 -4.82 105.19 103.94 1weu n GLY 51 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 6.85 0.00 -2.63 0.00 1.82 -1.85 -3.42 116.42 117.19 1weu h ASP 53 Ca -0.42 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.67 1weu h ASP 53 Cb 1.21 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1weu h ASP 53 CO 0.84 0.06 1.09 0.21 -1.61 0.00 0.00 179.24 179.84 1weu s ASN 54 N -6.60 6.61 0.40 2.28 2.47 -1.26 -4.88 114.94 113.96 1weu s ASN 54 Ca -0.04 2.11 0.19 0.00 0.42 0.00 0.00 52.86 55.54 1weu s ASN 54 Cb 0.15 -2.53 0.84 0.00 -1.45 0.00 0.00 41.25 38.26 1weu s ASN 54 CO 0.62 -0.99 1.82 1.55 -3.72 0.00 0.00 177.10 176.38 1weu h PRO 55 N 9.77 0.00 -0.12 0.43 0.13 -2.03 -3.02 132.00 137.16 1weu h PRO 55 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.55 1weu h PRO 55 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1weu h PRO 55 CO 0.96 0.33 -0.74 -0.44 -0.23 0.00 0.00 178.00 177.88 1weu h ASP 56 N 0.00 0.69 -1.26 1.44 3.32 -1.95 -3.45 116.42 115.21 1weu h ASP 56 Ca -0.00 -0.45 -0.81 0.00 0.02 0.00 0.00 57.03 55.79 1weu h ASP 56 Cb 0.74 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 40.10 1weu h ASP 56 CO 0.04 1.21 0.73 0.00 -1.72 0.00 0.00 179.24 179.51 1weu h SER 58 N 5.79 -0.07 0.20 0.00 0.87 -1.90 -3.34 113.55 115.10 1weu h SER 58 Ca -0.46 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 59.94 1weu h SER 58 Cb 1.35 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1weu h SER 58 CO 0.94 0.11 -0.10 0.40 -0.53 0.00 0.00 176.83 177.65 1weu h ILE 59 N -0.26 0.00 -6.69 2.23 2.04 -1.94 -3.47 117.51 109.42 1weu h ILE 59 Ca -0.01 -0.22 -0.54 0.00 1.00 0.00 0.00 64.86 65.09 1weu h ILE 59 Cb 0.22 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.12 1weu h ILE 59 CO 0.01 0.00 -0.84 -1.84 0.00 0.00 0.00 178.15 175.49 1weu n GLU 60 N -3.33 -3.33 -3.59 2.37 0.28 -1.26 -4.92 120.64 106.87 1weu n GLU 60 Ca -0.03 0.39 -0.02 0.00 -0.16 0.00 0.00 57.16 57.33 1weu n GLU 60 Cb 0.11 -5.05 -0.05 0.00 1.43 0.00 0.00 31.44 27.87 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 -3.37 -0.91 0.36 -1.84 0.52 -1.26 -2.96 118.94 109.48 1weu s TRP 61 Ca 0.65 1.69 -0.13 0.00 0.02 0.00 0.00 56.10 58.34 1weu s TRP 61 Cb -0.35 0.55 0.05 0.00 -1.15 0.00 0.00 33.47 32.56 1weu s TRP 61 CO 0.92 -0.45 0.70 1.19 0.02 0.00 0.00 176.95 179.33 1weu n PHE 62 N 4.58 -2.20 -3.53 -1.98 3.72 -1.26 -3.25 117.46 113.54 1weu n PHE 62 Ca -0.15 -1.73 -0.12 0.00 -0.05 0.00 0.00 57.45 55.39 1weu n PHE 62 Cb 0.55 0.83 0.01 0.00 -0.94 0.00 0.00 39.48 39.92 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 -0.49 -1.42 -0.06 1.38 8.25 -1.26 -3.67 115.22 117.94 1weu n HIS 63 Ca -0.08 -1.16 -0.21 0.00 -0.26 0.00 0.00 57.72 56.02 1weu n HIS 63 Cb 0.54 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.27 0.68 1.59 4.41 3.72 -1.26 -3.97 117.46 121.36 1weu n PHE 64 Ca 0.01 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1weu n PHE 64 Cb 0.32 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 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 -3.22 2.30 0.09 4.37 0.00 -1.26 0.95 120.51 123.73 1weu n ALA 65 Ca -0.39 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.08 1weu n ALA 65 Cb 0.99 -1.00 -0.04 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 -1.48 0.00 0.00 0.00 0.24 -1.02 -5.01 118.33 111.06 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 0.12 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 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 2.13 0.48 2.51 7.63 0.00 0.27 -5.09 105.19 113.11 1weu n GLY 68 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 2.42 -0.11 0.99 4.77 -0.87 -4.96 117.00 119.24 1weu n LEU 69 Ca 0.00 -5.29 0.04 0.00 -0.03 0.00 0.00 56.01 50.73 1weu n LEU 69 Cb 0.00 0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1weu n LEU 69 CO 0.00 2.30 0.24 0.35 -1.33 0.00 0.00 177.39 178.96 1weu n THR 70 N 0.13 -0.13 -4.54 -5.08 -2.24 -1.26 -3.84 114.28 97.32 1weu n THR 70 Ca 0.27 0.69 -0.23 0.00 -2.27 0.00 0.00 64.05 62.52 1weu n THR 70 Cb 0.53 -1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 67.60 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 -5.12 1.04 -0.11 4.28 -4.23 -1.26 -5.04 115.64 105.20 1weu s THR 71 Ca -0.04 -0.46 -0.39 0.00 -1.18 0.00 0.00 61.69 59.62 1weu s THR 71 Cb 0.09 -0.93 -0.17 0.00 1.34 0.00 0.00 72.50 72.83 1weu s THR 71 CO 0.24 0.32 1.52 1.17 -0.54 0.00 0.00 174.62 177.33 1weu n LYS 72 N 3.55 1.02 0.19 3.99 4.81 -1.25 -4.84 118.16 125.62 1weu n LYS 72 Ca -0.21 0.37 0.05 0.00 -0.87 0.00 0.00 58.31 57.65 1weu n LYS 72 Cb 0.53 -2.01 0.37 0.00 0.02 0.00 0.00 35.03 33.93 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 5.67 0.00 -6.47 1.64 0.13 -1.90 -3.46 132.00 127.60 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 1.34 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 1weu h PRO 73 CO 0.86 0.38 -0.66 2.89 -0.23 0.00 0.00 178.00 181.24 1weu n ARG 74 N -3.75 -1.22 0.00 0.86 1.85 -1.26 -4.68 116.66 108.46 1weu n ARG 74 Ca -0.01 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1weu n ARG 74 Cb 0.46 -4.41 0.00 0.00 -1.05 0.00 0.00 32.46 27.46 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 -0.90 1.84 2.34 2.89 0.00 -1.26 -5.06 105.19 105.04 1weu n GLY 75 Ca 0.09 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 1.46 -3.53 1.61 4.76 -1.26 -4.96 118.16 116.24 1weu n LYS 76 Ca 0.00 -3.87 -0.40 0.00 -2.87 0.00 0.00 58.31 51.17 1weu n LYS 76 Cb 0.00 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.36 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 -1.61 3.23 -0.21 2.13 -0.00 -1.26 -5.00 118.94 116.20 1weu s TRP 77 Ca 0.36 -0.08 -0.07 0.00 -0.00 0.00 0.00 56.10 56.31 1weu s TRP 77 Cb 0.14 -2.48 -0.04 0.00 -0.00 0.00 0.00 33.47 31.09 1weu s TRP 77 CO -0.08 -0.31 0.06 -0.06 -0.00 0.00 0.00 176.95 176.56 1weu s PHE 78 N 1.78 3.16 0.78 5.86 0.40 -1.26 -2.78 117.98 125.92 1weu s PHE 78 Ca 0.07 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.08 1weu s PHE 78 Cb -0.17 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 1weu s PHE 78 CO 0.11 -0.10 0.26 0.00 0.70 0.00 0.00 175.22 176.19 1weu n PRO 80 N -0.24 0.48 -0.03 0.00 -0.04 -1.26 -2.08 135.00 131.84 1weu n PRO 80 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1weu n PRO 80 Cb 0.51 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.01 0.66 -0.12 0.54 3.00 -1.26 -4.37 116.66 114.11 1weu n ARG 81 Ca 0.12 -0.13 -0.24 0.00 -0.01 0.00 0.00 57.85 57.59 1weu n ARG 81 Cb 0.05 -1.54 -0.10 0.00 0.00 0.00 0.00 32.46 30.87 1weu n ARG 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1weu h SER 83 N -1.00 -0.49 -0.24 0.00 0.87 -1.71 0.44 113.55 111.42 1weu h SER 83 Ca -0.46 0.27 0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1weu h SER 83 Cb 1.38 0.47 -0.03 0.00 -0.44 0.00 0.00 62.40 63.78 1weu h SER 83 CO -0.28 -0.32 0.06 -0.61 -0.53 0.00 0.00 176.83 175.15 1weu h GLN 84 N 0.03 0.16 -6.03 2.24 -0.00 -1.77 -3.43 115.11 106.31 1weu h GLN 84 Ca 0.56 -0.01 -0.71 0.00 -0.00 0.00 0.00 58.65 58.49 1weu h GLN 84 Cb 1.11 -0.04 0.09 0.00 0.00 0.00 0.00 27.48 28.64 1weu h GLN 84 CO -0.89 0.11 -0.28 -1.91 0.00 0.00 0.00 178.83 175.86 1weu n GLU 85 N -5.06 0.08 -3.68 1.69 4.07 0.15 -4.91 120.64 112.98 1weu n GLU 85 Ca -0.02 0.03 -0.39 0.00 -0.06 0.00 0.00 57.16 56.73 1weu n GLU 85 Cb 0.10 -1.23 -0.11 0.00 -0.06 0.00 0.00 31.44 30.14 1weu n GLU 85 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1weu s SER 86 N -0.60 5.45 0.41 4.31 0.15 -1.26 -5.03 113.70 117.13 1weu s SER 86 Ca 0.74 -1.65 0.06 0.00 0.70 0.00 0.00 55.95 55.80 1weu s SER 86 Cb -1.04 -1.91 -0.07 0.00 -1.71 0.00 0.00 66.02 61.29 1weu s SER 86 CO 0.56 -0.52 0.01 -0.83 1.20 0.00 0.00 173.24 173.67 1weu s GLY 87 N 1.98 2.52 0.44 9.45 0.00 -1.26 -5.04 107.32 115.41 1weu s GLY 87 Ca 0.04 -2.17 0.23 0.00 0.00 0.00 0.00 44.72 42.81 1weu s GLY 87 CO -0.00 -2.09 1.87 -0.56 0.00 0.00 0.00 173.10 172.31 1weu h PRO 88 N 1.76 0.00 -0.39 2.90 0.13 -2.04 -3.23 132.00 131.14 1weu h PRO 88 Ca -0.44 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1weu h PRO 88 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1weu h PRO 88 CO 0.80 0.24 -0.21 0.66 -0.23 0.00 0.00 178.00 179.26 1weu h SER 89 N 0.00 -0.71 -3.30 1.44 4.64 -2.01 -3.32 113.55 110.29 1weu h SER 89 Ca -0.00 0.16 -0.73 0.00 -0.47 0.00 0.00 61.79 60.74 1weu h SER 89 Cb 0.67 0.37 -0.26 0.00 -0.31 0.00 0.00 62.40 62.87 1weu h SER 89 CO 0.03 -0.24 -0.36 -0.55 -0.87 0.00 0.00 176.83 174.84 1weu s SER 90 N -5.12 5.91 0.00 4.97 0.15 -1.22 -5.29 113.70 113.10 1weu s SER 90 Ca -0.14 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1weu s SER 90 Cb 0.14 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1weu s SER 90 CO 0.70 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 175.07