#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 -0.01 0.09 1.61 0.15 -1.26 -5.20 113.70 109.09 1weu s SER 2 Ca 0.00 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.12 1weu s SER 2 Cb 0.00 0.21 0.09 0.00 -1.71 0.00 0.00 66.02 64.61 1weu s SER 2 CO 0.00 -0.42 1.14 -0.55 1.20 0.00 0.00 173.24 174.61 1weu s SER 3 N -3.59 -0.04 -0.01 5.45 0.15 -1.26 -5.20 113.70 109.21 1weu s SER 3 Ca 0.25 -0.40 -0.26 0.00 0.70 0.00 0.00 55.95 56.25 1weu s SER 3 Cb 0.00 0.34 0.09 0.00 -1.71 0.00 0.00 66.02 64.74 1weu s SER 3 CO -0.00 -0.66 1.17 0.61 1.20 0.00 0.00 173.24 175.56 1weu n GLY 4 N -0.66 0.27 3.63 9.45 0.00 -1.26 -5.19 105.19 111.43 1weu n GLY 4 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.61 -0.07 0.04 1.61 0.15 -1.26 -5.19 113.70 105.37 1weu s SER 5 Ca 0.28 -0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.50 1weu s SER 5 Cb -0.01 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1weu s SER 5 CO -0.00 -0.34 1.21 -0.44 1.20 0.00 0.00 173.24 174.87 1weu s SER 6 N -2.98 -0.01 0.00 5.45 0.01 -1.26 -5.19 113.70 109.72 1weu s SER 6 Ca 0.14 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1weu s SER 6 Cb 0.04 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1weu s SER 6 CO -0.03 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1weu n GLY 7 N -0.78 5.18 3.28 3.44 0.00 -1.26 -5.17 105.19 109.87 1weu n GLY 7 Ca -0.00 -1.28 0.03 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 1.05 -0.30 1.07 1.61 0.15 -1.26 -5.18 113.70 110.85 1weu s SER 8 Ca 0.00 0.40 -0.06 0.00 0.70 0.00 0.00 55.95 56.99 1weu s SER 8 Cb 0.00 1.34 0.09 0.00 -1.71 0.00 0.00 66.02 65.74 1weu s SER 8 CO 0.00 -0.06 0.32 -0.81 1.20 0.00 0.00 173.24 173.89 1weu n PRO 9 N 4.76 -1.65 -4.13 5.44 -0.04 -1.26 -5.10 135.00 133.02 1weu n PRO 9 Ca -0.08 -0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 62.74 1weu n PRO 9 Cb 0.54 -0.48 -0.06 0.00 -0.04 0.00 0.00 33.50 33.46 1weu n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1weu s GLU 10 N -3.72 1.68 0.40 0.54 0.41 -1.26 -5.19 118.70 111.56 1weu s GLU 10 Ca 0.21 -1.68 0.04 0.00 -0.41 0.00 0.00 54.97 53.12 1weu s GLU 10 Cb -0.02 0.39 -0.03 0.00 -1.78 0.00 0.00 34.13 32.69 1weu s GLU 10 CO 0.16 -0.66 0.12 0.71 -0.49 0.00 0.00 175.26 175.10 1weu s TYR 11 N -3.52 1.80 0.00 1.61 2.02 -1.26 -5.17 117.35 112.83 1weu s TYR 11 Ca 0.32 -1.24 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 1weu s TYR 11 Cb 0.02 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 1weu s TYR 11 CO 0.18 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 1weu n GLY 12 N -0.89 1.93 3.15 0.71 0.00 -1.26 -5.15 105.19 103.69 1weu n GLY 12 Ca -0.06 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 4.00 0.61 0.10 1.61 -1.94 -1.26 -5.17 119.30 117.25 1weu s MET 13 Ca 0.00 -0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 53.44 1weu s MET 13 Cb 0.00 0.25 0.02 0.00 2.01 0.00 0.00 34.83 37.12 1weu s MET 13 CO 0.00 -0.16 0.09 -0.35 -0.01 0.00 0.00 175.02 174.58 1weu n PRO 14 N 1.01 -1.19 -2.65 2.03 -0.04 -1.26 -5.07 135.00 127.82 1weu n PRO 14 Ca -0.20 -0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 62.89 1weu n PRO 14 Cb 0.57 -0.13 0.10 0.00 -0.04 0.00 0.00 33.50 34.00 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 -1.74 4.53 0.02 3.54 0.01 -1.26 -5.13 113.70 113.67 1weu s SER 15 Ca 0.06 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.92 1weu s SER 15 Cb -0.01 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1weu s SER 15 CO 0.04 -1.73 -0.04 -0.69 0.41 0.00 0.00 173.24 171.23 1weu s VAL 16 N -3.04 0.24 0.26 3.43 1.01 -1.26 -5.12 120.40 115.91 1weu s VAL 16 Ca 0.65 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1weu s VAL 16 Cb -0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 36.38 35.87 1weu s VAL 16 CO 0.43 -0.32 0.24 0.41 0.00 0.00 0.00 175.10 175.85 1weu n THR 17 N 1.95 1.06 0.00 3.92 -1.04 -1.26 -4.91 114.28 113.99 1weu n THR 17 Ca -0.21 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1weu n THR 17 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1weu n THR 17 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1weu n PHE 18 N -0.46 0.00 0.00 -1.42 -1.74 -1.26 -5.14 117.46 107.44 1weu n PHE 18 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 1weu n PHE 18 Cb 0.28 0.07 0.00 0.00 1.52 0.00 0.00 39.48 41.34 1weu n PHE 18 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1weu n GLY 19 N 2.82 3.99 2.78 4.97 0.00 -1.26 -5.15 105.19 113.33 1weu n GLY 19 Ca 0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 1.04 0.31 1.61 0.15 -1.26 -5.13 113.70 110.43 1weu s SER 20 Ca 0.00 -0.04 -0.27 0.00 0.70 0.00 0.00 55.95 56.34 1weu s SER 20 Cb 0.00 -0.31 -0.14 0.00 -1.71 0.00 0.00 66.02 63.87 1weu s SER 20 CO 0.00 -0.16 0.99 0.55 1.20 0.00 0.00 173.24 175.82 1weu n VAL 21 N 4.73 2.03 -2.29 4.45 3.14 -1.26 -4.94 118.33 124.20 1weu n VAL 21 Ca -0.14 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.41 1weu n VAL 21 Cb 0.50 -1.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.27 1weu n VAL 21 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1weu s HIS 22 N -1.10 3.17 0.79 1.45 3.76 -1.26 -5.04 115.29 117.07 1weu s HIS 22 Ca 0.59 1.51 -0.11 0.00 -0.15 0.00 0.00 55.06 56.91 1weu s HIS 22 Cb -0.68 -2.93 0.07 0.00 1.11 0.00 0.00 32.58 30.14 1weu s HIS 22 CO 0.60 -0.75 1.09 -1.25 -0.85 0.00 0.00 174.74 173.58 1weu s PRO 23 N -3.90 2.11 1.10 8.40 0.04 -1.26 -5.01 135.00 136.49 1weu s PRO 23 Ca 0.62 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1weu s PRO 23 Cb -0.13 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.71 1weu s PRO 23 CO 0.31 -1.73 0.66 0.43 0.04 0.00 0.00 177.00 176.71 1weu n SER 24 N -3.58 -1.70 -1.75 6.66 7.64 -1.26 -4.82 113.62 114.81 1weu n SER 24 Ca 0.09 -0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.88 1weu n SER 24 Cb 0.53 -1.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 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 -3.49 5.52 -1.96 6.43 5.68 -1.26 -4.54 116.55 122.94 1weu n ASP 25 Ca 0.04 -2.56 -0.17 0.00 -0.50 0.00 0.00 54.79 51.60 1weu n ASP 25 Cb 0.56 -1.21 0.01 0.00 -1.14 0.00 0.00 41.12 39.34 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 1.61 2.81 -2.24 2.12 0.24 -1.26 -4.95 118.33 116.65 1weu n VAL 26 Ca 0.19 -1.76 -0.41 0.00 -2.04 0.00 0.00 64.34 60.32 1weu n VAL 26 Cb 0.63 -1.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.56 1weu n VAL 26 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1weu s LEU 27 N -1.65 4.45 -0.17 1.34 1.43 -1.26 -5.02 118.68 117.78 1weu s LEU 27 Ca 0.34 2.47 -0.05 0.00 -1.03 0.00 0.00 54.13 55.86 1weu s LEU 27 Cb 0.25 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.90 1weu s LEU 27 CO -0.04 -0.45 0.09 -1.81 0.23 0.00 0.00 176.35 174.37 1weu s ASP 28 N -0.20 2.38 -0.39 2.29 1.01 -1.26 -5.09 116.67 115.42 1weu s ASP 28 Ca 0.51 -0.63 -0.34 0.00 0.71 0.00 0.00 52.55 52.80 1weu s ASP 28 Cb -0.37 -0.25 -0.15 0.00 1.01 0.00 0.00 42.92 43.17 1weu s ASP 28 CO 0.44 -0.35 1.62 1.15 0.21 0.00 0.00 175.17 178.24 1weu n MET 29 N 5.28 0.00 -2.23 8.23 0.00 -1.26 -4.82 117.12 122.32 1weu n MET 29 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.22 1weu n MET 29 Cb 0.49 -1.16 -0.03 0.00 0.00 0.00 0.00 33.22 32.52 1weu n MET 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1weu s PRO 30 N 4.45 4.41 0.38 3.17 0.04 -1.26 -5.02 135.00 141.18 1weu s PRO 30 Ca 0.92 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.80 1weu s PRO 30 Cb -1.16 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 30.11 1weu s PRO 30 CO 0.52 -0.18 0.91 0.08 0.04 0.00 0.00 177.00 178.37 1weu s VAL 31 N -0.30 4.40 0.18 -0.36 1.01 -1.26 -5.08 120.40 119.00 1weu s VAL 31 Ca 0.53 1.47 0.09 0.00 0.00 0.00 0.00 61.98 64.08 1weu s VAL 31 Cb -0.36 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1weu s VAL 31 CO 0.41 -0.18 -0.18 -1.81 0.00 0.00 0.00 175.10 173.34 1weu s ASP 32 N -2.06 2.80 0.00 3.32 1.11 -1.26 -5.01 116.67 115.57 1weu s ASP 32 Ca 0.58 -0.90 0.12 0.00 0.18 0.00 0.00 52.55 52.52 1weu s ASP 32 Cb -0.11 -0.17 0.70 0.00 1.07 0.00 0.00 42.92 44.41 1weu s ASP 32 CO 0.16 -0.04 1.14 -0.81 1.18 0.00 0.00 175.17 176.80 1weu n PRO 33 N 0.09 0.49 -1.98 8.23 -0.04 -1.26 -4.81 135.00 135.72 1weu n PRO 33 Ca -0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.16 1weu n PRO 33 Cb 0.58 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 1weu n PRO 33 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1weu n ASN 34 N -0.88 -5.16 -4.72 3.54 4.13 -1.26 -4.92 115.26 106.00 1weu n ASN 34 Ca 0.09 0.25 -0.36 0.00 1.68 0.00 0.00 54.58 56.24 1weu n ASN 34 Cb 0.04 -4.45 0.09 0.00 -1.54 0.00 0.00 39.78 33.92 1weu n ASN 34 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1weu n GLU 35 N -2.60 0.84 -2.24 3.52 1.02 -1.26 -4.95 120.64 114.96 1weu n GLU 35 Ca -0.20 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 1weu n GLU 35 Cb 0.64 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 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 -3.60 4.44 -0.23 3.49 0.04 -1.26 -4.75 135.00 133.12 1weu s PRO 36 Ca 0.80 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.79 1weu s PRO 36 Cb -0.35 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 1weu s PRO 36 CO 0.43 -0.12 0.16 0.95 0.04 0.00 0.00 177.00 178.46 1weu s THR 37 N -0.64 5.37 -0.04 1.26 -4.23 -1.26 -3.61 115.64 112.48 1weu s THR 37 Ca 0.51 0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 61.14 1weu s THR 37 Cb -0.37 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 1weu s THR 37 CO 0.44 0.36 -0.14 -1.22 -0.54 0.00 0.00 174.62 173.53 1weu n TYR 38 N 4.13 0.00 -0.85 3.99 4.02 -1.23 -4.79 117.16 122.43 1weu n TYR 38 Ca -0.15 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.47 1weu n TYR 38 Cb 0.52 -0.20 0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 -0.09 0.53 -0.63 0.00 4.07 -1.96 0.48 115.31 117.71 1weu h LEU 40 Ca -0.29 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1weu h LEU 40 Cb 0.99 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1weu h LEU 40 CO 0.27 0.23 0.05 0.00 -1.08 0.00 0.00 178.44 177.91 1weu n HIS 42 N -1.82 -1.93 -4.29 0.00 8.25 0.17 -5.04 115.22 110.56 1weu n HIS 42 Ca -0.01 0.75 -0.16 0.00 -0.26 0.00 0.00 57.72 58.04 1weu n HIS 42 Cb 0.07 -4.21 -0.10 0.00 1.12 0.00 0.00 29.99 26.87 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 -4.64 1.19 0.24 -0.41 -1.52 -1.26 -4.87 119.66 108.39 1weu s GLN 43 Ca 0.19 -1.52 -0.28 0.00 -1.95 0.00 0.00 55.36 51.81 1weu s GLN 43 Cb -0.02 -0.85 -0.16 0.00 -0.22 0.00 0.00 33.01 31.76 1weu s GLN 43 CO 0.61 0.12 0.67 1.55 -0.25 0.00 0.00 175.29 177.99 1weu n VAL 44 N -0.28 1.96 -2.87 1.09 3.14 -1.26 -3.58 118.33 116.52 1weu n VAL 44 Ca -0.09 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.36 1weu n VAL 44 Cb 0.61 -0.34 -0.04 0.00 -1.06 0.00 0.00 33.84 33.01 1weu n VAL 44 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1weu s SER 45 N -0.86 6.27 0.35 6.55 1.04 -1.24 -4.89 113.70 120.92 1weu s SER 45 Ca 0.62 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1weu s SER 45 Cb -0.84 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 62.84 1weu s SER 45 CO 0.58 -1.36 0.54 -0.72 0.98 0.00 0.00 173.24 173.26 1weu s TYR 46 N 3.77 3.48 0.17 5.02 1.13 -1.26 -4.94 117.35 124.72 1weu s TYR 46 Ca 0.24 0.32 0.06 0.00 -1.41 0.00 0.00 57.07 56.28 1weu s TYR 46 Cb -0.14 -1.90 0.55 0.00 -1.10 0.00 0.00 41.96 39.37 1weu s TYR 46 CO 0.06 0.11 0.80 0.41 -2.51 0.00 0.00 175.55 174.42 1weu n GLY 47 N -1.78 -0.52 3.55 5.49 0.00 -1.26 -3.84 105.19 106.83 1weu n GLY 47 Ca -0.05 0.45 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.35 0.63 -3.48 1.61 1.02 -1.26 -4.82 120.64 109.99 1weu n GLU 48 Ca 0.16 -0.50 -0.11 0.00 -0.02 0.00 0.00 57.16 56.68 1weu n GLU 48 Cb 0.53 -3.31 -0.03 0.00 -0.02 0.00 0.00 31.44 28.61 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 8.59 0.99 0.00 3.49 -1.94 -1.25 -4.33 119.30 124.85 1weu s MET 49 Ca 1.00 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 1weu s MET 49 Cb -0.25 0.46 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1weu s MET 49 CO 0.19 -0.41 0.00 0.44 -0.01 0.00 0.00 175.02 175.24 1weu n ILE 50 N -0.02 0.00 -1.10 2.53 -0.00 -1.26 -4.84 119.36 114.67 1weu n ILE 50 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1weu n ILE 50 Cb 0.62 -0.71 0.00 0.00 -0.00 0.00 0.00 39.64 39.55 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 2.51 -4.35 3.71 3.28 0.00 -1.26 -4.87 105.19 104.20 1weu n GLY 51 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 7.44 0.00 -2.79 0.00 1.82 -1.88 -3.41 116.42 117.60 1weu h ASP 53 Ca -0.43 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.65 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 0.92 0.01 0.98 0.21 -1.61 0.00 0.00 179.24 179.76 1weu s ASN 54 N -6.90 6.82 0.35 2.28 2.47 -1.26 -4.90 114.94 113.79 1weu s ASN 54 Ca -0.05 1.90 0.14 0.00 0.42 0.00 0.00 52.86 55.26 1weu s ASN 54 Cb 0.17 -2.54 0.63 0.00 -1.45 0.00 0.00 41.25 38.06 1weu s ASN 54 CO 0.65 -0.84 1.75 1.55 -3.72 0.00 0.00 177.10 176.49 1weu h PRO 55 N 8.80 0.00 -0.64 0.43 0.13 -2.03 -3.07 132.00 135.63 1weu h PRO 55 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 1weu h PRO 55 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1weu h PRO 55 CO 0.97 0.44 0.05 -0.44 -0.23 0.00 0.00 178.00 178.79 1weu h ASP 56 N 0.00 1.06 -0.98 1.44 5.19 -1.95 -3.44 116.42 117.74 1weu h ASP 56 Ca -0.00 -0.28 -0.83 0.00 -0.62 0.00 0.00 57.03 55.29 1weu h ASP 56 Cb 0.83 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1weu h ASP 56 CO 0.06 1.08 0.83 0.00 -3.12 0.00 0.00 179.24 178.09 1weu h SER 58 N 6.15 0.22 0.00 0.00 4.64 -1.90 -3.31 113.55 119.35 1weu h SER 58 Ca -0.40 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1weu h SER 58 Cb 1.37 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1weu h SER 58 CO 0.99 0.43 -0.20 0.40 -0.87 0.00 0.00 176.83 177.59 1weu h ILE 59 N 0.21 0.00 -6.95 0.95 2.04 -1.96 -3.47 117.51 108.32 1weu h ILE 59 Ca 0.04 -0.67 -0.59 0.00 1.00 0.00 0.00 64.86 64.64 1weu h ILE 59 Cb 0.47 0.00 -0.27 0.00 -0.74 0.00 0.00 36.82 36.28 1weu h ILE 59 CO 0.03 0.00 -0.88 -1.84 0.00 0.00 0.00 178.15 175.46 1weu n GLU 60 N -3.85 -1.94 -3.62 2.37 0.28 -1.25 -4.90 120.64 107.74 1weu n GLU 60 Ca -0.03 0.25 -0.04 0.00 -0.16 0.00 0.00 57.16 57.19 1weu n GLU 60 Cb 0.10 -4.74 -0.06 0.00 1.43 0.00 0.00 31.44 28.17 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 -3.44 -0.99 0.32 -1.84 0.52 -1.26 -3.42 118.94 108.82 1weu s TRP 61 Ca 0.65 1.87 -0.11 0.00 0.02 0.00 0.00 56.10 58.53 1weu s TRP 61 Cb -0.37 0.59 0.05 0.00 -1.15 0.00 0.00 33.47 32.59 1weu s TRP 61 CO 0.97 -0.49 0.62 1.19 0.02 0.00 0.00 176.95 179.27 1weu n PHE 62 N 4.55 -2.06 -3.73 -1.98 3.72 -1.26 -3.24 117.46 113.47 1weu n PHE 62 Ca -0.16 -1.52 -0.10 0.00 -0.05 0.00 0.00 57.45 55.61 1weu n PHE 62 Cb 0.55 0.73 -0.00 0.00 -0.94 0.00 0.00 39.48 39.82 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 -0.43 -0.95 -0.09 1.38 8.25 -1.26 -4.05 115.22 118.07 1weu n HIS 63 Ca -0.07 -0.91 -0.22 0.00 -0.26 0.00 0.00 57.72 56.26 1weu n HIS 63 Cb 0.48 -0.17 -0.12 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.94 0.52 0.96 4.41 3.72 -1.26 -4.13 117.46 120.74 1weu n PHE 64 Ca -0.02 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1weu n PHE 64 Cb 0.24 -1.06 0.01 0.00 -0.94 0.00 0.00 39.48 37.73 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 -3.42 2.53 0.00 4.37 0.00 -1.26 -0.49 120.51 122.24 1weu n ALA 65 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1weu n ALA 65 Cb 0.94 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.79 0.00 0.00 0.00 0.24 -1.17 -5.03 118.33 110.58 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 0.32 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 2.56 0.67 2.30 7.63 0.00 0.35 -5.10 105.19 113.60 1weu n GLY 68 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 1.44 -0.15 0.99 4.77 -0.79 -4.96 117.00 118.30 1weu n LEU 69 Ca 0.00 -4.99 0.14 0.00 -0.03 0.00 0.00 56.01 51.13 1weu n LEU 69 Cb 0.00 0.25 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 1weu n LEU 69 CO 0.00 2.12 0.47 0.41 -1.33 0.00 0.00 177.39 179.06 1weu n THR 70 N 1.00 -0.19 -3.68 -5.08 -1.04 -1.26 -4.27 114.28 99.76 1weu n THR 70 Ca 0.24 0.93 -0.15 0.00 -2.04 0.00 0.00 64.05 63.04 1weu n THR 70 Cb 0.51 -1.50 -0.08 0.00 -1.82 0.00 0.00 70.33 67.44 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 -4.76 0.02 -0.55 12.58 -4.23 -1.26 -5.08 115.64 112.36 1weu s THR 71 Ca -0.04 -0.19 -0.41 0.00 -1.18 0.00 0.00 61.69 59.87 1weu s THR 71 Cb 0.15 -0.74 -0.18 0.00 1.34 0.00 0.00 72.50 73.07 1weu s THR 71 CO 0.35 -0.10 2.23 1.17 -0.54 0.00 0.00 174.62 177.73 1weu n LYS 72 N 1.70 0.16 -0.04 3.99 4.81 -1.26 -4.80 118.16 122.72 1weu n LYS 72 Ca -0.18 0.04 -0.09 0.00 -0.87 0.00 0.00 58.31 57.20 1weu n LYS 72 Cb 0.56 -1.66 0.06 0.00 0.02 0.00 0.00 35.03 34.02 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 10.04 0.68 -6.52 1.64 0.13 -1.93 -3.46 132.00 132.58 1weu h PRO 73 Ca -0.12 -0.36 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 1weu h PRO 73 Cb 1.39 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.27 1weu h PRO 73 CO 1.13 0.97 -0.67 -2.13 -0.23 0.00 0.00 178.00 177.07 1weu n ARG 74 N -4.03 -1.65 -2.86 0.86 0.63 -1.26 -4.81 116.66 103.53 1weu n ARG 74 Ca -0.02 0.15 -0.18 0.00 -0.92 0.00 0.00 57.85 56.88 1weu n ARG 74 Cb 0.54 -4.74 -0.01 0.00 0.45 0.00 0.00 32.46 28.70 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 -0.97 3.70 2.88 5.14 0.00 -1.26 -4.94 105.19 109.75 1weu n GLY 75 Ca 0.08 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.05 -5.01 -2.73 1.61 4.76 -1.26 -4.96 118.16 110.53 1weu n LYS 76 Ca 0.23 0.66 -0.43 0.00 -2.87 0.00 0.00 58.31 55.91 1weu n LYS 76 Cb 0.66 -5.10 -0.03 0.00 -1.84 0.00 0.00 35.03 28.72 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 -3.28 3.22 -0.19 2.13 -0.00 -1.26 -4.96 118.94 114.60 1weu s TRP 77 Ca 0.01 1.17 -0.08 0.00 -0.00 0.00 0.00 56.10 57.21 1weu s TRP 77 Cb -0.00 -3.45 -0.04 0.00 -0.00 0.00 0.00 33.47 29.98 1weu s TRP 77 CO 0.57 -0.63 0.07 -0.06 -0.00 0.00 0.00 176.95 176.90 1weu s PHE 78 N 3.34 3.27 0.74 5.86 0.40 -1.26 -3.17 117.98 127.17 1weu s PHE 78 Ca 0.41 0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.69 1weu s PHE 78 Cb -0.13 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 1weu s PHE 78 CO 0.12 0.17 0.52 0.00 0.70 0.00 0.00 175.22 176.73 1weu n PRO 80 N -0.81 0.49 -0.02 0.00 -0.04 -1.26 -2.03 135.00 131.33 1weu n PRO 80 Ca 0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1weu n PRO 80 Cb 0.50 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.82 0.71 -0.10 0.54 1.74 -1.26 -4.36 116.66 113.11 1weu n ARG 81 Ca 0.08 -0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 1weu n ARG 81 Cb 0.03 -1.41 -0.12 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 -0.61 0.19 -5.83 0.00 0.87 -1.72 -3.46 113.55 103.00 1weu h SER 83 Ca -0.51 0.13 -0.39 0.00 -1.23 0.00 0.00 61.79 59.79 1weu h SER 83 Cb 1.65 0.14 0.13 0.00 -0.44 0.00 0.00 62.40 63.88 1weu h SER 83 CO -0.19 0.03 -0.72 1.67 -0.53 0.00 0.00 176.83 177.09 1weu n GLN 84 N -5.06 -7.35 -2.12 2.24 -0.06 -1.26 -4.89 117.38 98.88 1weu n GLN 84 Ca 0.16 0.81 -0.41 0.00 -2.00 0.00 0.00 57.00 55.56 1weu n GLN 84 Cb 0.48 -5.83 -0.03 0.00 -4.06 0.00 0.00 30.24 20.80 1weu n GLN 84 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 1weu s GLU 85 N -6.06 3.12 0.22 3.69 -1.05 -1.26 -4.94 118.70 112.42 1weu s GLU 85 Ca 0.41 0.94 -0.32 0.00 -0.15 0.00 0.00 54.97 55.85 1weu s GLU 85 Cb -0.18 -4.23 -0.14 0.00 -0.44 0.00 0.00 34.13 29.14 1weu s GLU 85 CO 0.74 -2.12 1.39 -1.13 0.95 0.00 0.00 175.26 175.08 1weu n SER 86 N 10.81 2.54 0.00 0.83 3.41 -1.26 -4.85 113.62 125.10 1weu n SER 86 Ca 0.20 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 1weu n SER 86 Cb 0.49 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1weu n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1weu n GLY 87 N 2.28 -0.89 0.23 5.00 0.00 -1.26 -4.98 105.19 105.57 1weu n GLY 87 Ca 0.13 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1weu n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weu h PRO 88 N 0.00 0.00 -7.16 1.61 0.13 -2.06 -3.44 132.00 121.08 1weu h PRO 88 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1weu h PRO 88 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 1weu h PRO 88 CO 0.00 0.21 0.38 -1.12 -0.23 0.00 0.00 178.00 177.24 1weu s SER 89 N -6.20 6.06 0.25 1.44 0.01 -1.26 -5.07 113.70 108.92 1weu s SER 89 Ca -0.00 1.81 0.01 0.00 1.31 0.00 0.00 55.95 59.08 1weu s SER 89 Cb 0.11 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1weu s SER 89 CO 0.63 -0.98 0.15 -0.94 0.41 0.00 0.00 173.24 172.51 1weu s SER 90 N -2.60 0.78 0.00 2.44 1.04 -1.26 -5.00 113.70 109.09 1weu s SER 90 Ca 0.64 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1weu s SER 90 Cb -0.15 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1weu s SER 90 CO 0.31 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.28