#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 -0.03 0.06 1.61 1.04 -1.26 -5.20 113.70 109.94 1weu s SER 2 Ca 0.00 -0.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.89 1weu s SER 2 Cb 0.00 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.44 1weu s SER 2 CO 0.00 -0.45 1.18 -0.44 0.98 0.00 0.00 173.24 174.51 1weu s SER 3 N -3.41 -0.01 -0.03 7.02 0.01 -1.26 -5.20 113.70 110.82 1weu s SER 3 Ca 0.22 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.81 1weu s SER 3 Cb 0.01 0.29 0.10 0.00 0.21 0.00 0.00 66.02 66.63 1weu s SER 3 CO -0.01 -0.57 1.31 -0.83 0.41 0.00 0.00 173.24 173.55 1weu s GLY 4 N -3.53 -0.19 0.03 3.44 0.00 -1.26 -5.19 107.32 100.62 1weu s GLY 4 Ca 0.24 0.16 -0.28 0.00 0.00 0.00 0.00 44.72 44.85 1weu s GLY 4 CO 0.01 5.03 1.22 -1.35 0.00 0.00 0.00 173.10 178.02 1weu s SER 5 N -3.71 -0.02 0.01 1.64 1.04 -1.26 -5.20 113.70 106.21 1weu s SER 5 Ca 0.28 -0.28 -0.28 0.00 0.48 0.00 0.00 55.95 56.14 1weu s SER 5 Cb 0.01 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.46 1weu s SER 5 CO -0.02 -0.45 1.25 -0.55 0.98 0.00 0.00 173.24 174.45 1weu s SER 6 N -3.46 -0.02 0.00 7.02 0.15 -1.26 -5.20 113.70 110.93 1weu s SER 6 Ca 0.23 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1weu s SER 6 Cb 0.01 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1weu s SER 6 CO -0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1weu n GLY 7 N -0.72 1.04 3.40 9.45 0.00 -1.26 -5.16 105.19 111.94 1weu n GLY 7 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.59 1.11 1.61 0.01 -1.26 -5.18 113.70 109.40 1weu s SER 8 Ca 0.00 0.81 -0.09 0.00 1.31 0.00 0.00 55.95 57.97 1weu s SER 8 Cb 0.00 1.67 0.14 0.00 0.21 0.00 0.00 66.02 68.04 1weu s SER 8 CO 0.00 -0.11 0.49 -0.81 0.41 0.00 0.00 173.24 173.22 1weu n PRO 9 N 5.00 -1.98 -3.52 12.44 -0.04 -1.26 -5.10 135.00 140.53 1weu n PRO 9 Ca -0.09 -0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 62.47 1weu n PRO 9 Cb 0.52 -0.74 -0.04 0.00 -0.04 0.00 0.00 33.50 33.21 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 -4.11 0.84 0.23 0.54 2.12 -1.26 -5.19 118.70 111.87 1weu s GLU 10 Ca 0.32 -0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.41 1weu s GLU 10 Cb -0.03 0.39 0.07 0.00 0.26 0.00 0.00 34.13 34.82 1weu s GLU 10 CO 0.24 -0.31 0.97 0.71 -0.54 0.00 0.00 175.26 176.34 1weu s TYR 11 N -2.03 0.06 0.00 5.30 2.02 -1.26 -5.19 117.35 116.25 1weu s TYR 11 Ca -0.01 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 1weu s TYR 11 Cb -0.01 0.73 0.00 0.00 -0.40 0.00 0.00 41.96 42.28 1weu s TYR 11 CO -0.01 -1.06 0.00 0.41 -1.57 0.00 0.00 175.55 173.32 1weu n GLY 12 N -0.64 3.55 3.65 0.71 0.00 -1.26 -5.18 105.19 106.01 1weu n GLY 12 Ca -0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.57 0.20 0.68 1.61 1.75 -1.26 -5.18 119.30 116.53 1weu s MET 13 Ca 0.00 0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 54.62 1weu s MET 13 Cb 0.00 0.06 0.17 0.00 2.84 0.00 0.00 34.83 37.90 1weu s MET 13 CO 0.00 -0.03 0.60 -0.35 -0.65 0.00 0.00 175.02 174.59 1weu n PRO 14 N 2.73 -2.20 -3.66 4.11 -0.04 -1.26 -5.09 135.00 129.58 1weu n PRO 14 Ca -0.15 -0.97 -0.07 0.00 -0.04 0.00 0.00 63.50 62.27 1weu n PRO 14 Cb 0.57 -0.91 -0.08 0.00 -0.04 0.00 0.00 33.50 33.04 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 -3.13 -0.72 -0.02 3.54 0.01 -1.26 -5.16 113.70 106.96 1weu s SER 15 Ca 0.39 1.23 0.05 0.00 1.31 0.00 0.00 55.95 58.93 1weu s SER 15 Cb -0.04 1.33 -0.01 0.00 0.21 0.00 0.00 66.02 67.51 1weu s SER 15 CO 0.30 -0.22 -0.15 -0.69 0.41 0.00 0.00 173.24 172.89 1weu s VAL 16 N 1.94 1.23 -0.06 3.43 1.01 -1.26 -5.14 120.40 121.55 1weu s VAL 16 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1weu s VAL 16 Cb -0.08 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1weu s VAL 16 CO -0.16 0.35 -0.06 0.28 0.00 0.00 0.00 175.10 175.51 1weu s THR 17 N -0.25 0.71 0.23 3.92 -1.32 -1.26 -5.13 115.64 112.54 1weu s THR 17 Ca 0.04 -0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.12 1weu s THR 17 Cb -0.07 -0.73 0.07 0.00 -1.51 0.00 0.00 72.50 70.26 1weu s THR 17 CO -0.00 0.28 0.96 -0.36 -2.21 0.00 0.00 174.62 173.29 1weu s PHE 18 N 1.13 0.04 0.00 9.09 0.08 -1.26 -5.17 117.98 121.90 1weu s PHE 18 Ca -0.07 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.48 1weu s PHE 18 Cb -0.14 0.72 0.00 0.00 -0.57 0.00 0.00 43.02 43.03 1weu s PHE 18 CO -0.01 -1.07 0.00 0.41 -0.10 0.00 0.00 175.22 174.45 1weu n GLY 19 N -0.62 1.00 3.23 4.36 0.00 -1.26 -5.18 105.19 106.72 1weu n GLY 19 Ca -0.05 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 1weu n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 20 N 0.00 -0.13 -0.39 1.61 0.15 -1.26 -5.10 113.70 108.58 1weu s SER 20 Ca 0.00 -0.08 -0.40 0.00 0.70 0.00 0.00 55.95 56.18 1weu s SER 20 Cb 0.00 0.32 -0.15 0.00 -1.71 0.00 0.00 66.02 64.48 1weu s SER 20 CO 0.00 -0.51 2.03 0.52 1.20 0.00 0.00 173.24 176.47 1weu n VAL 21 N 0.98 0.15 -4.21 4.45 0.31 -1.26 -4.93 118.33 113.81 1weu n VAL 21 Ca -0.20 -0.12 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 1weu n VAL 21 Cb 0.57 -1.13 -0.09 0.00 -0.91 0.00 0.00 33.84 32.28 1weu n VAL 21 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1weu s HIS 22 N 5.71 2.78 0.87 3.52 -0.00 -1.26 -5.13 115.29 121.78 1weu s HIS 22 Ca 1.10 -0.14 -0.11 0.00 -0.00 0.00 0.00 55.06 55.90 1weu s HIS 22 Cb -1.14 -1.42 0.11 0.00 -0.00 0.00 0.00 32.58 30.13 1weu s HIS 22 CO 0.60 0.46 1.09 -1.25 -0.00 0.00 0.00 174.74 175.64 1weu s PRO 23 N -2.40 1.49 -0.21 -0.38 0.04 -1.26 -5.08 135.00 127.19 1weu s PRO 23 Ca 0.23 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.07 1weu s PRO 23 Cb -0.11 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1weu s PRO 23 CO 0.15 -2.10 0.49 0.45 0.04 0.00 0.00 177.00 176.03 1weu s SER 24 N -3.42 -0.59 -0.28 6.66 0.15 -1.26 -5.13 113.70 109.83 1weu s SER 24 Ca 0.63 1.12 -0.00 0.00 0.70 0.00 0.00 55.95 58.39 1weu s SER 24 Cb -0.18 1.23 0.17 0.00 -1.71 0.00 0.00 66.02 65.53 1weu s SER 24 CO 0.57 -0.22 0.51 -1.81 1.20 0.00 0.00 173.24 173.49 1weu s ASP 25 N 1.96 -0.73 -0.07 5.45 1.01 -1.26 -5.15 116.67 117.89 1weu s ASP 25 Ca -0.07 0.46 -0.03 0.00 0.71 0.00 0.00 52.55 53.62 1weu s ASP 25 Cb -0.09 1.71 0.04 0.00 1.01 0.00 0.00 42.92 45.59 1weu s ASP 25 CO -0.15 -0.29 0.16 -0.69 0.21 0.00 0.00 175.17 174.42 1weu s VAL 26 N 2.73 -0.08 0.28 -1.27 1.01 -1.26 -5.14 120.40 116.67 1weu s VAL 26 Ca 0.16 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1weu s VAL 26 Cb -0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 1weu s VAL 26 CO -0.21 0.08 1.34 -0.76 0.00 0.00 0.00 175.10 175.56 1weu s LEU 27 N 1.33 4.41 -0.28 3.92 1.02 -1.26 -5.01 118.68 122.82 1weu s LEU 27 Ca -0.08 2.63 -0.00 0.00 0.02 0.00 0.00 54.13 56.70 1weu s LEU 27 Cb -0.11 -3.63 0.09 0.00 0.02 0.00 0.00 46.19 42.55 1weu s LEU 27 CO -0.06 -0.58 0.06 1.51 0.02 0.00 0.00 176.35 177.30 1weu s ASP 28 N -0.10 3.93 0.42 2.29 -4.77 -1.26 -5.12 116.67 112.07 1weu s ASP 28 Ca 0.53 -1.50 -0.24 0.00 -3.30 0.00 0.00 52.55 48.04 1weu s ASP 28 Cb -0.40 -0.98 -0.11 0.00 -1.09 0.00 0.00 42.92 40.34 1weu s ASP 28 CO 0.47 -0.36 0.84 0.23 0.70 0.00 0.00 175.17 177.05 1weu n MET 29 N 4.77 1.03 -1.09 2.11 2.81 -1.26 -4.97 117.12 120.52 1weu n MET 29 Ca -0.04 0.37 -0.30 0.00 -1.81 0.00 0.00 57.70 55.92 1weu n MET 29 Cb 0.43 -1.84 0.23 0.00 -0.71 0.00 0.00 33.22 31.33 1weu n MET 29 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1weu s PRO 30 N -1.87 -0.99 0.34 0.03 0.04 -1.26 -5.03 135.00 126.27 1weu s PRO 30 Ca 0.64 0.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.54 1weu s PRO 30 Cb -0.58 -1.62 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1weu s PRO 30 CO 0.57 -3.57 0.77 0.54 0.04 0.00 0.00 177.00 175.35 1weu s VAL 31 N -3.00 4.65 0.17 -0.36 0.11 -1.26 -5.09 120.40 115.62 1weu s VAL 31 Ca 0.70 1.00 0.09 0.00 -2.93 0.00 0.00 61.98 60.84 1weu s VAL 31 Cb -0.11 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1weu s VAL 31 CO 0.56 -0.23 -0.19 -1.81 -3.33 0.00 0.00 175.10 170.10 1weu s ASP 32 N -2.33 2.79 0.00 3.54 1.01 -1.26 -5.01 116.67 115.41 1weu s ASP 32 Ca 0.55 -0.86 0.12 0.00 0.71 0.00 0.00 52.55 53.07 1weu s ASP 32 Cb -0.10 -0.17 0.72 0.00 1.01 0.00 0.00 42.92 44.38 1weu s ASP 32 CO 0.18 -0.01 1.15 -0.81 0.21 0.00 0.00 175.17 175.89 1weu n PRO 33 N 0.28 0.49 -0.07 8.23 -0.04 -1.26 -3.47 135.00 139.16 1weu n PRO 33 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 1weu n PRO 33 Cb 0.57 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.20 -2.93 3.54 -1.07 -2.03 -3.44 115.58 109.85 1weu h ASN 34 Ca 0.00 0.01 -0.56 0.00 0.07 0.00 0.00 56.30 55.82 1weu h ASN 34 Cb 0.00 -0.03 0.20 0.00 -2.07 0.00 0.00 38.32 36.43 1weu h ASN 34 CO 0.00 0.15 -0.76 -0.62 0.07 0.00 0.00 177.43 176.27 1weu n GLU 35 N -4.97 0.08 -2.26 4.14 1.02 -1.23 -4.91 120.64 112.52 1weu n GLU 35 Ca -0.01 0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.82 1weu n GLU 35 Cb 0.06 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 1weu n GLU 35 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1weu s PRO 36 N -2.64 3.64 0.03 3.49 0.04 -1.26 -4.80 135.00 133.49 1weu s PRO 36 Ca 0.58 1.73 0.09 0.00 0.04 0.00 0.00 61.00 63.44 1weu s PRO 36 Cb -0.31 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1weu s PRO 36 CO 0.65 -0.64 -0.26 0.95 0.04 0.00 0.00 177.00 177.75 1weu s THR 37 N -1.61 2.17 0.07 1.26 -4.23 -1.26 -4.04 115.64 108.00 1weu s THR 37 Ca 0.66 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1weu s THR 37 Cb -0.27 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1weu s THR 37 CO 0.33 0.42 -0.03 -1.22 -0.54 0.00 0.00 174.62 173.58 1weu n TYR 38 N 1.94 0.00 -1.06 3.99 4.02 -1.23 -4.88 117.16 119.94 1weu n TYR 38 Ca -0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.36 1weu n TYR 38 Cb 0.52 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.75 0.48 -0.45 0.00 4.07 -1.97 0.12 115.31 116.82 1weu h LEU 40 Ca -0.43 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1weu h LEU 40 Cb 1.34 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1weu h LEU 40 CO 0.28 0.31 0.04 0.00 -1.08 0.00 0.00 178.44 177.99 1weu n HIS 42 N -1.72 -1.97 -4.38 0.00 8.25 0.42 -5.03 115.22 110.79 1weu n HIS 42 Ca -0.00 0.77 -0.24 0.00 -0.26 0.00 0.00 57.72 57.99 1weu n HIS 42 Cb 0.05 -4.32 -0.09 0.00 1.12 0.00 0.00 29.99 26.76 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 -4.75 1.99 0.19 -0.41 -1.52 -1.26 -4.86 119.66 109.04 1weu s GLN 43 Ca 0.17 -1.62 -0.30 0.00 -1.95 0.00 0.00 55.36 51.66 1weu s GLN 43 Cb -0.02 -1.95 -0.09 0.00 -0.22 0.00 0.00 33.01 30.73 1weu s GLN 43 CO 0.63 0.32 1.32 0.54 -0.25 0.00 0.00 175.29 177.85 1weu s VAL 44 N -2.43 3.23 -0.02 1.09 0.11 -1.26 -3.58 120.40 117.54 1weu s VAL 44 Ca 0.31 0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 60.05 1weu s VAL 44 Cb -0.05 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 1weu s VAL 44 CO 0.18 0.14 1.35 -0.94 -3.33 0.00 0.00 175.10 172.50 1weu s SER 45 N 0.43 6.90 -0.01 3.54 1.04 -1.26 -4.92 113.70 119.42 1weu s SER 45 Ca 0.57 2.03 -0.03 0.00 0.48 0.00 0.00 55.95 59.00 1weu s SER 45 Cb -0.36 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.19 1weu s SER 45 CO 0.37 -0.70 -0.06 0.00 0.98 0.00 0.00 173.24 173.84 1weu n TYR 46 N 5.44 0.00 0.00 5.02 4.11 -1.26 -5.06 117.16 125.41 1weu n TYR 46 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1weu n TYR 46 Cb 0.44 -0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.70 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 2.45 -0.16 3.56 -7.48 0.00 -1.26 -5.05 105.19 97.24 1weu n GLY 47 Ca -0.02 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1weu n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1weu s GLU 48 N -1.46 2.15 -0.01 1.61 2.02 -1.26 -4.88 118.70 116.87 1weu s GLU 48 Ca 0.00 0.56 -0.19 0.00 0.02 0.00 0.00 54.97 55.36 1weu s GLU 48 Cb 0.00 -4.72 0.03 0.00 0.10 0.00 0.00 34.13 29.54 1weu s GLU 48 CO 0.00 -3.56 0.40 -1.64 0.02 0.00 0.00 175.26 170.47 1weu s MET 49 N 7.92 0.78 0.00 1.61 -1.94 -1.26 -4.04 119.30 122.38 1weu s MET 49 Ca 0.83 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 1weu s MET 49 Cb -0.12 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.07 1weu s MET 49 CO 0.13 -0.23 0.00 0.44 -0.01 0.00 0.00 175.02 175.35 1weu n ILE 50 N 1.11 0.00 -1.57 2.53 -0.00 -1.25 -4.86 119.36 115.32 1weu n ILE 50 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 1weu n ILE 50 Cb 0.57 -0.61 0.00 0.00 -0.00 0.00 0.00 39.64 39.60 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 2.73 -4.82 3.71 3.28 0.00 -1.26 -4.81 105.19 104.02 1weu n GLY 51 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 7.18 0.00 -2.78 0.00 1.82 -1.75 -3.41 116.42 117.47 1weu h ASP 53 Ca -0.43 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.66 1weu h ASP 53 Cb 1.20 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.19 1weu h ASP 53 CO 0.91 0.01 0.99 0.21 -1.61 0.00 0.00 179.24 179.75 1weu s ASN 54 N -5.94 6.80 0.41 2.28 2.47 -1.26 -4.90 114.94 114.81 1weu s ASN 54 Ca -0.05 1.91 0.20 0.00 0.42 0.00 0.00 52.86 55.34 1weu s ASN 54 Cb 0.14 -2.54 0.88 0.00 -1.45 0.00 0.00 41.25 38.29 1weu s ASN 54 CO 0.52 -0.86 1.83 1.55 -3.72 0.00 0.00 177.10 176.43 1weu h PRO 55 N 8.88 0.00 -0.11 0.43 0.13 -2.03 -3.01 132.00 136.30 1weu h PRO 55 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 1weu h PRO 55 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1weu h PRO 55 CO 0.97 0.30 -0.74 0.22 -0.23 0.00 0.00 178.00 178.52 1weu h ASP 56 N 0.00 0.65 -1.28 1.44 3.58 -1.95 -3.45 116.42 115.42 1weu h ASP 56 Ca -0.00 -0.43 -0.80 0.00 0.42 0.00 0.00 57.03 56.22 1weu h ASP 56 Cb 0.72 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.59 1weu h ASP 56 CO 0.04 1.19 0.76 0.00 -2.88 0.00 0.00 179.24 178.35 1weu h SER 58 N 5.97 0.01 0.23 0.00 0.02 -1.90 -3.33 113.55 114.56 1weu h SER 58 Ca -0.45 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1weu h SER 58 Cb 1.35 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1weu h SER 58 CO 0.95 0.14 -0.11 0.40 -1.14 0.00 0.00 176.83 177.07 1weu h ILE 59 N -0.11 0.00 -6.36 3.27 2.04 -1.92 -3.46 117.51 110.96 1weu h ILE 59 Ca 0.00 -0.24 -0.49 0.00 1.00 0.00 0.00 64.86 65.13 1weu h ILE 59 Cb 0.13 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.04 1weu h ILE 59 CO -0.00 0.00 -0.74 -1.84 0.00 0.00 0.00 178.15 175.57 1weu n GLU 60 N -3.49 -3.31 -3.49 2.37 0.28 -1.25 -4.91 120.64 106.85 1weu n GLU 60 Ca -0.04 0.40 0.01 0.00 -0.16 0.00 0.00 57.16 57.36 1weu n GLU 60 Cb 0.12 -5.13 -0.04 0.00 1.43 0.00 0.00 31.44 27.83 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 -3.15 -1.07 0.19 -1.84 0.52 -1.26 -3.12 118.94 109.20 1weu s TRP 61 Ca 0.64 1.75 -0.01 0.00 0.02 0.00 0.00 56.10 58.50 1weu s TRP 61 Cb -0.35 0.60 0.01 0.00 -1.15 0.00 0.00 33.47 32.58 1weu s TRP 61 CO 0.79 -0.54 0.26 1.19 0.02 0.00 0.00 176.95 178.67 1weu n PHE 62 N 5.26 -0.99 -3.89 -1.98 3.72 -1.26 -2.04 117.46 116.28 1weu n PHE 62 Ca -0.10 -1.24 -0.19 0.00 -0.05 0.00 0.00 57.45 55.87 1weu n PHE 62 Cb 0.51 0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.31 -0.59 -0.05 1.38 8.25 -1.26 -3.77 115.22 118.87 1weu n HIS 63 Ca 0.00 -1.67 -0.18 0.00 -0.26 0.00 0.00 57.72 55.61 1weu n HIS 63 Cb 0.31 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.33 0.69 1.15 4.41 3.72 -1.26 -3.98 117.46 120.86 1weu n PHE 64 Ca -0.04 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1weu n PHE 64 Cb 0.45 -1.10 0.02 0.00 -0.94 0.00 0.00 39.48 37.91 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 -3.03 2.55 -0.00 4.37 0.00 -1.26 -0.21 120.51 122.92 1weu n ALA 65 Ca -0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.00 1weu n ALA 65 Cb 1.04 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.98 0.00 0.00 0.00 0.24 -1.19 -5.04 118.33 110.36 1weu n VAL 67 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1weu n VAL 67 Cb 0.48 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 3.04 0.63 2.34 7.63 0.00 0.70 -5.10 105.19 114.43 1weu n GLY 68 Ca 0.00 -0.72 -0.22 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 1.58 -0.16 0.99 4.77 -0.84 -4.96 117.00 118.39 1weu n LEU 69 Ca 0.00 -5.09 0.16 0.00 -0.03 0.00 0.00 56.01 51.05 1weu n LEU 69 Cb 0.00 0.35 0.29 0.00 -2.33 0.00 0.00 43.42 41.73 1weu n LEU 69 CO 0.00 2.23 0.52 1.07 -1.33 0.00 0.00 177.39 179.88 1weu n THR 70 N 0.51 -0.21 -4.11 -5.08 5.66 -1.26 -4.20 114.28 105.60 1weu n THR 70 Ca 0.26 1.00 -0.13 0.00 -3.05 0.00 0.00 64.05 62.12 1weu n THR 70 Cb 0.56 -1.62 -0.11 0.00 -1.55 0.00 0.00 70.33 67.60 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 -4.74 0.69 -0.07 1.09 -4.23 -1.26 -5.06 115.64 102.05 1weu s THR 71 Ca -0.04 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1weu s THR 71 Cb 0.17 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 73.01 1weu s THR 71 CO 0.38 -0.47 1.57 -0.75 -0.54 0.00 0.00 174.62 174.82 1weu s LYS 72 N -2.14 4.19 0.43 3.99 2.20 -1.26 -4.89 119.74 122.26 1weu s LYS 72 Ca -0.03 2.09 0.22 0.00 -0.36 0.00 0.00 55.97 57.88 1weu s LYS 72 Cb -0.06 -3.93 0.94 0.00 -1.51 0.00 0.00 37.83 33.26 1weu s LYS 72 CO -0.00 -0.81 1.85 -1.00 -0.36 0.00 0.00 175.35 175.03 1weu h PRO 73 N 9.23 0.00 -6.15 4.03 0.13 -1.91 -3.46 132.00 133.86 1weu h PRO 73 Ca -0.37 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.30 1weu h PRO 73 Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 1weu h PRO 73 CO 0.96 0.27 -0.68 2.89 -0.23 0.00 0.00 178.00 181.21 1weu n ARG 74 N -3.57 -0.80 0.00 0.86 1.85 -1.26 -4.64 116.66 109.10 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 0.41 -3.43 0.00 0.00 -1.05 0.00 0.00 32.46 28.39 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 -1.01 1.56 2.47 2.89 0.00 -1.26 -5.07 105.19 104.78 1weu n GLY 75 Ca 0.06 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 1.13 -3.78 1.61 4.76 -1.26 -4.96 118.16 115.66 1weu n LYS 76 Ca 0.00 -3.78 -0.37 0.00 -2.87 0.00 0.00 58.31 51.30 1weu n LYS 76 Cb 0.00 -1.82 -0.13 0.00 -1.84 0.00 0.00 35.03 31.24 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 -1.06 3.09 -0.21 2.13 -0.00 -1.26 -5.01 118.94 116.61 1weu s TRP 77 Ca 0.33 -0.74 -0.07 0.00 -0.00 0.00 0.00 56.10 55.62 1weu s TRP 77 Cb 0.07 -2.23 -0.03 0.00 -0.00 0.00 0.00 33.47 31.28 1weu s TRP 77 CO -0.14 -0.48 0.05 -0.06 -0.00 0.00 0.00 176.95 176.32 1weu s PHE 78 N 1.54 3.13 0.74 5.86 0.40 -1.26 -2.13 117.98 126.25 1weu s PHE 78 Ca 0.05 -0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 1weu s PHE 78 Cb -0.16 -2.14 -0.08 0.00 0.51 0.00 0.00 43.02 41.15 1weu s PHE 78 CO 0.02 -0.14 0.09 0.00 0.70 0.00 0.00 175.22 175.89 1weu n PRO 80 N 0.41 0.49 -0.02 0.00 -0.04 -1.26 -2.00 135.00 132.58 1weu n PRO 80 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1weu n PRO 80 Cb 0.51 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.71 0.67 -0.12 0.54 1.74 -1.26 -4.65 116.66 112.87 1weu n ARG 81 Ca 0.05 -0.11 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 1weu n ARG 81 Cb 0.02 -1.33 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 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 -4.16 0.08 -3.89 0.00 2.88 -0.94 -1.30 113.62 106.28 1weu n SER 83 Ca -0.47 1.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.91 1weu n SER 83 Cb 0.85 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1weu n SER 83 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1weu n GLN 84 N -4.89 3.66 -3.41 -1.46 -0.06 -1.26 -4.94 117.38 105.02 1weu n GLN 84 Ca 0.23 -3.59 -0.43 0.00 -2.00 0.00 0.00 57.00 51.21 1weu n GLN 84 Cb 0.77 -2.91 -0.09 0.00 -4.06 0.00 0.00 30.24 23.95 1weu n GLN 84 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1weu s GLU 85 N 0.24 3.00 0.72 3.69 2.56 -0.42 -5.03 118.70 123.46 1weu s GLU 85 Ca 0.39 -1.04 -0.17 0.00 0.00 0.00 0.00 54.97 54.15 1weu s GLU 85 Cb 0.09 -4.02 -0.12 0.00 2.00 0.00 0.00 34.13 32.09 1weu s GLU 85 CO 0.01 -0.85 -0.16 0.43 -0.56 0.00 0.00 175.26 174.13 1weu n SER 86 N 5.29 -3.74 0.00 -1.70 7.64 -1.26 -4.82 113.62 115.02 1weu n SER 86 Ca -0.10 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1weu n SER 86 Cb 0.46 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 2.57 0.42 3.55 0.23 0.00 -1.26 -4.98 105.19 105.72 1weu n GLY 87 Ca 0.05 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.43 2.60 0.11 1.61 0.04 -1.26 -4.97 135.00 132.71 1weu s PRO 88 Ca 0.00 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.42 1weu s PRO 88 Cb 0.00 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 1weu s PRO 88 CO 0.00 -2.92 0.11 0.45 0.04 0.00 0.00 177.00 174.68 1weu s SER 89 N 8.09 5.59 -0.54 6.66 0.15 -1.26 -5.08 113.70 127.31 1weu s SER 89 Ca 0.68 -0.03 -0.19 0.00 0.70 0.00 0.00 55.95 57.11 1weu s SER 89 Cb -0.11 -1.51 0.07 0.00 -1.71 0.00 0.00 66.02 62.77 1weu s SER 89 CO 0.14 0.13 0.67 -0.55 1.20 0.00 0.00 173.24 174.83 1weu s SER 90 N -2.68 6.21 0.00 5.45 0.15 -1.26 -5.27 113.70 116.30 1weu s SER 90 Ca 0.30 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1weu s SER 90 Cb -0.11 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1weu s SER 90 CO 0.23 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.29