#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 0.01 1.61 1.04 -1.26 -5.19 113.70 109.87 1weu s SER 2 Ca 0.00 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 55.93 1weu s SER 2 Cb 0.00 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.43 1weu s SER 2 CO 0.00 -0.39 1.25 -0.94 0.98 0.00 0.00 173.24 174.13 1weu s SER 3 N -3.23 -0.02 0.00 7.02 1.04 -1.26 -5.20 113.70 112.06 1weu s SER 3 Ca 0.19 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1weu s SER 3 Cb 0.02 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1weu s SER 3 CO -0.02 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1weu n GLY 4 N -0.72 1.47 3.66 7.32 0.00 -1.26 -5.19 105.19 110.47 1weu n GLY 4 Ca -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.63 -0.11 0.08 1.61 1.04 -1.26 -5.19 113.70 109.24 1weu s SER 5 Ca 0.00 -0.21 -0.26 0.00 0.48 0.00 0.00 55.95 55.97 1weu s SER 5 Cb 0.00 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.48 1weu s SER 5 CO 0.00 -0.49 1.16 -0.55 0.98 0.00 0.00 173.24 174.34 1weu s SER 6 N -2.91 -0.01 0.20 7.02 0.15 -1.26 -5.20 113.70 111.69 1weu s SER 6 Ca 0.13 -0.42 -0.22 0.00 0.70 0.00 0.00 55.95 56.14 1weu s SER 6 Cb 0.02 0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1weu s SER 6 CO -0.02 -0.63 1.02 -0.83 1.20 0.00 0.00 173.24 173.97 1weu s GLY 7 N -3.50 0.11 -0.29 9.45 0.00 -1.26 -5.18 107.32 106.65 1weu s GLY 7 Ca 0.24 -0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.41 1weu s GLY 7 CO 0.02 2.12 1.12 -0.45 0.00 0.00 0.00 173.10 175.91 1weu s SER 8 N -3.36 -0.34 1.10 1.64 0.15 -1.26 -5.18 113.70 106.45 1weu s SER 8 Ca 0.21 0.61 -0.08 0.00 0.70 0.00 0.00 55.95 57.38 1weu s SER 8 Cb -0.03 0.85 0.13 0.00 -1.71 0.00 0.00 66.02 65.26 1weu s SER 8 CO 0.06 -0.10 0.45 -0.81 1.20 0.00 0.00 173.24 174.03 1weu n PRO 9 N 2.67 -1.90 -3.62 5.44 -0.04 -1.26 -5.10 135.00 131.19 1weu n PRO 9 Ca -0.15 -0.72 -0.06 0.00 -0.04 0.00 0.00 63.50 62.54 1weu n PRO 9 Cb 0.57 -0.67 -0.05 0.00 -0.04 0.00 0.00 33.50 33.30 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 -4.02 0.29 0.04 0.54 1.03 -1.26 -5.19 118.70 110.13 1weu s GLU 10 Ca 0.29 0.11 -0.28 0.00 0.03 0.00 0.00 54.97 55.12 1weu s GLU 10 Cb -0.03 0.14 0.10 0.00 -0.80 0.00 0.00 34.13 33.54 1weu s GLU 10 CO 0.22 -0.08 1.20 -0.47 -1.33 0.00 0.00 175.26 174.80 1weu s TYR 11 N -0.86 -0.02 0.00 4.83 5.04 -1.26 -5.19 117.35 119.89 1weu s TYR 11 Ca 0.04 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.51 1weu s TYR 11 Cb -0.01 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.88 1weu s TYR 11 CO -0.05 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.11 1weu n GLY 12 N -0.63 1.04 3.15 8.97 0.00 -1.26 -5.15 105.19 111.31 1weu n GLY 12 Ca -0.04 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 0.46 0.56 1.61 1.75 -1.26 -5.17 119.30 115.24 1weu s MET 13 Ca 0.00 0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 55.01 1weu s MET 13 Cb 0.00 0.35 0.14 0.00 2.84 0.00 0.00 34.83 38.16 1weu s MET 13 CO 0.00 -0.64 0.50 -0.35 -0.65 0.00 0.00 175.02 173.88 1weu n PRO 14 N 5.40 -1.98 -3.49 4.11 -0.04 -1.26 -5.10 135.00 132.63 1weu n PRO 14 Ca 0.01 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1weu n PRO 14 Cb 0.53 -0.74 -0.05 0.00 -0.04 0.00 0.00 33.50 33.20 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 -2.85 -0.49 -0.16 3.54 0.15 -1.26 -5.17 113.70 107.45 1weu s SER 15 Ca 0.32 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.51 1weu s SER 15 Cb -0.03 1.42 0.05 0.00 -1.71 0.00 0.00 66.02 65.75 1weu s SER 15 CO 0.25 -0.11 0.50 -0.69 1.20 0.00 0.00 173.24 174.39 1weu s VAL 16 N 1.93 0.01 -0.16 4.45 1.01 -1.26 -5.17 120.40 121.21 1weu s VAL 16 Ca -0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1weu s VAL 16 Cb -0.05 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.67 1weu s VAL 16 CO -0.16 -0.02 0.57 -0.89 0.00 0.00 0.00 175.10 174.59 1weu s THR 17 N 0.01 0.01 0.07 3.92 2.01 -1.26 -5.17 115.64 115.22 1weu s THR 17 Ca -0.02 -0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 1weu s THR 17 Cb -0.03 -0.82 0.09 0.00 0.01 0.00 0.00 72.50 71.75 1weu s THR 17 CO 0.02 -0.03 1.17 0.72 -0.69 0.00 0.00 174.62 175.81 1weu s PHE 18 N -0.15 0.00 0.00 4.92 -0.12 -1.26 -5.19 117.98 116.18 1weu s PHE 18 Ca -0.04 -0.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 1weu s PHE 18 Cb -0.03 0.61 0.00 0.00 -0.63 0.00 0.00 43.02 42.97 1weu s PHE 18 CO 0.03 -0.54 0.00 0.41 -0.05 0.00 0.00 175.22 175.07 1weu n GLY 19 N -0.68 2.91 3.49 1.99 0.00 -1.26 -5.19 105.19 106.46 1weu n GLY 19 Ca -0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.55 0.11 1.61 0.15 -1.26 -5.18 113.70 108.59 1weu s SER 20 Ca 0.00 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.07 1weu s SER 20 Cb 0.00 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1weu s SER 20 CO 0.00 -0.71 -0.26 0.68 1.20 0.00 0.00 173.24 174.15 1weu s VAL 21 N -2.38 2.16 -0.03 4.45 -7.23 -1.26 -5.14 120.40 110.97 1weu s VAL 21 Ca -0.03 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1weu s VAL 21 Cb -0.01 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1weu s VAL 21 CO -0.02 0.11 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.65 1weu s HIS 22 N -1.03 2.07 1.16 2.82 3.76 -1.26 -5.14 115.29 117.66 1weu s HIS 22 Ca 0.13 -0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 54.42 1weu s HIS 22 Cb -0.10 -1.34 0.27 0.00 1.11 0.00 0.00 32.58 32.52 1weu s HIS 22 CO 0.05 -0.07 1.11 -1.25 -0.85 0.00 0.00 174.74 173.73 1weu s PRO 23 N -0.43 -0.87 0.20 8.40 0.04 -1.26 -5.08 135.00 136.00 1weu s PRO 23 Ca 0.06 0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.25 1weu s PRO 23 Cb -0.10 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1weu s PRO 23 CO 0.00 -3.50 -0.11 -1.12 0.04 0.00 0.00 177.00 172.31 1weu s SER 24 N -3.80 4.17 -0.30 6.66 0.01 -1.26 -5.13 113.70 114.05 1weu s SER 24 Ca 0.70 -0.64 -0.05 0.00 1.31 0.00 0.00 55.95 57.27 1weu s SER 24 Cb -0.12 -0.66 0.16 0.00 0.21 0.00 0.00 66.02 65.61 1weu s SER 24 CO 0.56 0.09 0.62 -1.81 0.41 0.00 0.00 173.24 173.11 1weu s ASP 25 N -2.93 -1.26 -0.95 2.44 1.01 -1.26 -5.10 116.67 108.62 1weu s ASP 25 Ca 0.25 1.18 -0.19 0.00 0.71 0.00 0.00 52.55 54.51 1weu s ASP 25 Cb -0.08 2.21 0.12 0.00 1.01 0.00 0.00 42.92 46.18 1weu s ASP 25 CO 0.15 -0.24 1.17 -0.69 0.21 0.00 0.00 175.17 175.77 1weu s VAL 26 N 2.87 4.64 0.58 -1.27 1.01 -1.26 -5.01 120.40 121.96 1weu s VAL 26 Ca 0.09 -1.51 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1weu s VAL 26 Cb -0.14 -4.81 -0.08 0.00 0.00 0.00 0.00 36.38 31.35 1weu s VAL 26 CO -0.20 -1.56 0.54 0.18 0.00 0.00 0.00 175.10 174.07 1weu n LEU 27 N 6.79 0.92 -4.56 3.92 4.77 -1.26 -4.79 117.00 122.80 1weu n LEU 27 Ca 0.25 0.73 -0.32 0.00 -0.03 0.00 0.00 56.01 56.64 1weu n LEU 27 Cb 0.49 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1weu n LEU 27 CO 0.52 -3.00 1.40 -0.62 -1.33 0.00 0.00 177.39 174.36 1weu s ASP 28 N -1.20 5.48 -0.07 -1.43 2.15 -1.26 -4.90 116.67 115.45 1weu s ASP 28 Ca 0.69 -0.67 -0.17 0.00 0.43 0.00 0.00 52.55 52.83 1weu s ASP 28 Cb -0.44 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 39.66 1weu s ASP 28 CO 0.54 -2.40 0.40 -0.04 -0.17 0.00 0.00 175.17 173.51 1weu s MET 29 N 6.55 0.67 0.65 4.34 -1.94 -1.26 -5.18 119.30 123.14 1weu s MET 29 Ca 0.63 0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 54.64 1weu s MET 29 Cb -0.06 0.31 0.16 0.00 2.01 0.00 0.00 34.83 37.25 1weu s MET 29 CO 0.01 -0.16 0.58 -0.35 -0.01 0.00 0.00 175.02 175.09 1weu n PRO 30 N 1.74 -2.16 -0.57 2.03 -0.04 -1.26 -5.03 135.00 129.72 1weu n PRO 30 Ca -0.18 -0.93 -0.30 0.00 -0.04 0.00 0.00 63.50 62.05 1weu n PRO 30 Cb 0.56 -0.87 0.27 0.00 -0.04 0.00 0.00 33.50 33.42 1weu n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1weu s VAL 31 N -2.05 1.54 0.08 0.52 -7.23 -1.26 -5.07 120.40 106.94 1weu s VAL 31 Ca 0.38 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.58 1weu s VAL 31 Cb -0.04 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1weu s VAL 31 CO 0.29 0.00 -0.11 -1.81 -0.31 0.00 0.00 175.10 173.16 1weu s ASP 32 N -3.07 1.41 0.00 4.85 1.01 -1.26 -5.02 116.67 114.59 1weu s ASP 32 Ca 0.69 -0.71 0.08 0.00 0.71 0.00 0.00 52.55 53.32 1weu s ASP 32 Cb -0.17 -0.00 0.49 0.00 1.01 0.00 0.00 42.92 44.25 1weu s ASP 32 CO 0.60 -0.20 0.94 -0.81 0.21 0.00 0.00 175.17 175.90 1weu n PRO 33 N 0.91 0.49 -0.70 8.23 -0.04 -1.26 -4.01 135.00 138.62 1weu n PRO 33 Ca -0.19 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1weu n PRO 33 Cb 0.56 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.76 4.97 -4.89 3.54 3.02 -1.26 -4.86 115.26 115.01 1weu n ASN 34 Ca 0.06 -2.37 -0.27 0.00 -0.03 0.00 0.00 54.58 51.97 1weu n ASN 34 Cb 0.03 -1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 37.96 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1weu s GLU 35 N 0.62 3.24 0.71 3.52 2.02 -1.26 -5.10 118.70 122.46 1weu s GLU 35 Ca 0.31 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 1weu s GLU 35 Cb 0.15 -2.86 0.03 0.00 0.10 0.00 0.00 34.13 31.55 1weu s GLU 35 CO 0.00 0.52 1.10 -1.25 0.02 0.00 0.00 175.26 175.65 1weu s PRO 36 N -3.09 2.54 -0.05 0.39 0.04 -1.26 -4.79 135.00 128.78 1weu s PRO 36 Ca 0.33 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.71 1weu s PRO 36 Cb -0.11 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1weu s PRO 36 CO 0.27 -1.44 -0.20 0.95 0.04 0.00 0.00 177.00 176.61 1weu s THR 37 N -2.61 2.50 0.03 1.26 -4.23 -1.26 -3.45 115.64 107.88 1weu s THR 37 Ca 0.64 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 1weu s THR 37 Cb -0.19 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1weu s THR 37 CO 0.48 0.57 -0.04 -1.22 -0.54 0.00 0.00 174.62 173.88 1weu n TYR 38 N 2.67 0.00 -0.94 3.99 4.02 -1.24 -4.88 117.16 120.78 1weu n TYR 38 Ca -0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.42 1weu n TYR 38 Cb 0.52 -0.05 0.01 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.18 0.68 -0.36 0.00 4.07 -1.96 0.38 115.31 117.94 1weu h LEU 40 Ca -0.33 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1weu h LEU 40 Cb 1.11 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1weu h LEU 40 CO 0.30 0.32 0.06 0.00 -1.08 0.00 0.00 178.44 178.04 1weu n HIS 42 N -1.66 -2.30 -4.27 0.00 8.25 0.13 -5.02 115.22 110.36 1weu n HIS 42 Ca -0.00 0.84 -0.26 0.00 -0.26 0.00 0.00 57.72 58.04 1weu n HIS 42 Cb 0.07 -4.47 -0.09 0.00 1.12 0.00 0.00 29.99 26.63 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 -5.87 2.16 -0.19 -0.41 -1.52 -1.26 -4.84 119.66 107.73 1weu s GLN 43 Ca 0.37 -1.26 -0.40 0.00 -1.95 0.00 0.00 55.36 52.13 1weu s GLN 43 Cb -0.16 -2.20 -0.16 0.00 -0.22 0.00 0.00 33.01 30.27 1weu s GLN 43 CO 0.62 0.43 1.63 1.33 -0.25 0.00 0.00 175.29 179.04 1weu n VAL 44 N -0.11 0.21 -2.13 1.09 0.24 -1.26 -3.70 118.33 112.67 1weu n VAL 44 Ca -0.10 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 61.77 1weu n VAL 44 Cb 0.56 -1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 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 2.70 5.44 0.52 -1.34 1.04 -1.22 -4.96 113.70 115.88 1weu s SER 45 Ca 0.95 0.23 -0.00 0.00 0.48 0.00 0.00 55.95 57.61 1weu s SER 45 Cb -1.07 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 62.56 1weu s SER 45 CO 0.62 -2.27 0.30 0.00 0.98 0.00 0.00 173.24 172.87 1weu n TYR 46 N 12.11 -3.30 -0.08 5.02 0.18 -1.26 -5.00 117.16 124.83 1weu n TYR 46 Ca 0.18 -0.51 -0.07 0.00 1.88 0.00 0.00 57.90 59.38 1weu n TYR 46 Cb 0.51 -0.22 -0.01 0.00 -0.38 0.00 0.00 39.34 39.25 1weu n TYR 46 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1weu h GLY 47 N -0.20 -0.03 -7.36 -7.48 0.00 -2.01 -3.38 103.07 82.61 1weu h GLY 47 Ca -0.10 0.26 -0.48 0.00 0.00 0.00 0.00 47.33 47.02 1weu h GLY 47 CO 0.10 -0.19 1.69 1.18 0.00 0.00 0.00 176.54 179.32 1weu n GLU 48 N -5.37 0.62 -3.50 4.80 4.71 -1.26 -4.85 120.64 115.80 1weu n GLU 48 Ca 0.00 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 1weu n GLU 48 Cb 0.28 -2.66 -0.03 0.00 -1.01 0.00 0.00 31.44 28.01 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 8.58 1.18 0.00 3.49 -1.94 -1.26 -4.29 119.30 125.06 1weu s MET 49 Ca 1.13 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 1weu s MET 49 Cb -0.61 0.54 0.00 0.00 2.01 0.00 0.00 34.83 36.77 1weu s MET 49 CO 0.35 -0.49 0.00 0.44 -0.01 0.00 0.00 175.02 175.32 1weu n ILE 50 N -0.15 0.00 -0.88 2.53 -0.00 -1.24 -4.80 119.36 114.82 1weu n ILE 50 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1weu n ILE 50 Cb 0.64 -0.40 0.00 0.00 -0.00 0.00 0.00 39.64 39.88 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 2.27 -4.14 3.70 3.28 0.00 -1.26 -4.82 105.19 104.22 1weu n GLY 51 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.53 0.00 3.58 -1.79 -3.41 116.42 119.70 1weu h ASP 53 Ca -0.41 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.49 1weu h ASP 53 Cb 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1weu h ASP 53 CO 0.89 0.00 1.15 0.21 -2.88 0.00 0.00 179.24 178.61 1weu s ASN 54 N -6.63 6.54 0.46 2.28 2.47 -1.26 -4.87 114.94 113.92 1weu s ASN 54 Ca -0.05 2.30 0.25 0.00 0.42 0.00 0.00 52.86 55.78 1weu s ASN 54 Cb 0.18 -2.53 1.07 0.00 -1.45 0.00 0.00 41.25 38.52 1weu s ASN 54 CO 0.70 -1.03 1.89 1.55 -3.72 0.00 0.00 177.10 176.50 1weu h PRO 55 N 10.14 0.00 -0.09 0.43 0.13 -2.03 -2.99 132.00 137.59 1weu h PRO 55 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 1weu h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1weu h PRO 55 CO 0.95 0.20 -0.80 0.22 -0.23 0.00 0.00 178.00 178.34 1weu h ASP 56 N 0.00 0.67 -1.53 1.44 1.82 -1.94 -3.45 116.42 113.43 1weu h ASP 56 Ca -0.00 -0.46 -0.74 0.00 -0.39 0.00 0.00 57.03 55.44 1weu h ASP 56 Cb 0.64 -0.20 0.02 0.00 0.68 0.00 0.00 39.33 40.47 1weu h ASP 56 CO 0.03 1.23 0.81 0.00 -1.61 0.00 0.00 179.24 179.70 1weu h SER 58 N 6.65 0.29 0.36 0.00 0.87 -1.89 -3.32 113.55 116.50 1weu h SER 58 Ca -0.47 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 59.67 1weu h SER 58 Cb 1.33 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1weu h SER 58 CO 0.93 0.64 -0.17 0.40 -0.53 0.00 0.00 176.83 178.10 1weu h ILE 59 N -0.05 0.45 -6.26 2.23 2.04 -1.93 -3.46 117.51 110.53 1weu h ILE 59 Ca 0.03 -0.69 -0.49 0.00 1.00 0.00 0.00 64.86 64.71 1weu h ILE 59 Cb 0.52 0.70 -0.29 0.00 -0.74 0.00 0.00 36.82 37.01 1weu h ILE 59 CO 0.02 0.10 -0.70 -1.84 0.00 0.00 0.00 178.15 175.72 1weu n GLU 60 N -5.12 -0.79 -3.45 2.37 0.28 -1.25 -4.83 120.64 107.85 1weu n GLU 60 Ca -0.09 0.11 0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1weu n GLU 60 Cb 0.27 -3.59 -0.03 0.00 1.43 0.00 0.00 31.44 29.51 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 -2.80 -1.14 0.34 -1.84 0.52 -1.26 -3.01 118.94 109.75 1weu s TRP 61 Ca 0.61 1.76 -0.04 0.00 0.02 0.00 0.00 56.10 58.46 1weu s TRP 61 Cb -0.36 0.60 0.01 0.00 -1.15 0.00 0.00 33.47 32.57 1weu s TRP 61 CO 0.79 -0.58 0.50 -0.06 0.02 0.00 0.00 176.95 177.61 1weu s PHE 62 N 2.77 0.97 0.37 -1.98 0.08 -1.26 -2.40 117.98 116.53 1weu s PHE 62 Ca 0.00 -1.24 0.06 0.00 0.12 0.00 0.00 56.93 55.87 1weu s PHE 62 Cb -0.11 -0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.39 1weu s PHE 62 CO -0.18 -1.16 0.49 0.72 -0.10 0.00 0.00 175.22 174.99 1weu n HIS 63 N -0.55 -2.44 -0.06 0.36 8.25 -1.26 -3.62 115.22 115.89 1weu n HIS 63 Ca 0.00 -1.36 -0.16 0.00 -0.26 0.00 0.00 57.72 55.94 1weu n HIS 63 Cb 0.61 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.77 0.65 1.52 4.41 3.72 -1.26 -3.86 117.46 120.86 1weu n PHE 64 Ca 0.10 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1weu n PHE 64 Cb 0.38 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 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 -2.95 2.47 0.00 4.37 0.00 -1.26 -0.48 120.51 122.66 1weu n ALA 65 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1weu n ALA 65 Cb 1.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.49 0.50 -3.04 0.00 0.24 -1.15 -5.03 118.33 108.37 1weu n VAL 67 Ca 0.00 -0.58 -0.17 0.00 -2.04 0.00 0.00 64.34 61.55 1weu n VAL 67 Cb 0.11 0.43 0.02 0.00 -1.47 0.00 0.00 33.84 32.92 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 -0.36 -0.94 2.45 7.63 0.00 0.37 -5.00 105.19 109.34 1weu n GLY 68 Ca 0.04 1.22 -0.27 0.00 0.00 0.00 0.00 46.02 47.01 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 -0.24 0.56 -0.17 0.99 4.77 -0.73 -5.00 117.00 117.19 1weu n LEU 69 Ca 0.06 -4.66 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 1weu n LEU 69 Cb 0.52 0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.88 1weu n LEU 69 CO 0.50 1.89 0.28 0.41 -1.33 0.00 0.00 177.39 179.14 1weu n THR 70 N 2.28 -0.23 -4.25 -5.08 -1.04 -1.26 -4.56 114.28 100.13 1weu n THR 70 Ca 0.26 1.07 -0.18 0.00 -2.04 0.00 0.00 64.05 63.17 1weu n THR 70 Cb 0.46 -1.43 -0.08 0.00 -1.82 0.00 0.00 70.33 67.46 1weu n THR 70 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1weu s THR 71 N -5.48 0.00 -0.41 12.58 -1.32 -1.26 -5.09 115.64 114.67 1weu s THR 71 Ca -0.06 -1.96 -0.28 0.00 -1.21 0.00 0.00 61.69 58.17 1weu s THR 71 Cb 0.10 -2.51 0.02 0.00 -1.51 0.00 0.00 72.50 68.61 1weu s THR 71 CO 0.34 0.00 1.05 -0.75 -2.21 0.00 0.00 174.62 173.05 1weu s LYS 72 N -3.54 3.83 0.56 7.08 2.20 -1.26 -4.90 119.74 123.71 1weu s LYS 72 Ca 0.40 0.68 0.34 0.00 -0.36 0.00 0.00 55.97 57.03 1weu s LYS 72 Cb 0.03 -3.84 1.41 0.00 -1.51 0.00 0.00 37.83 33.92 1weu s LYS 72 CO 0.24 -1.13 2.00 -1.00 -0.36 0.00 0.00 175.35 175.11 1weu h PRO 73 N 8.71 0.00 -5.74 4.03 0.13 -1.94 -3.46 132.00 133.74 1weu h PRO 73 Ca -0.22 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.51 1weu h PRO 73 Cb 1.07 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.96 1weu h PRO 73 CO 1.06 0.01 -0.58 2.89 -0.23 0.00 0.00 178.00 181.14 1weu n ARG 74 N -3.10 -0.84 0.00 0.86 1.85 -1.26 -4.65 116.66 109.52 1weu n ARG 74 Ca 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1weu n ARG 74 Cb 0.30 -2.89 0.00 0.00 -1.05 0.00 0.00 32.46 28.82 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 -1.00 2.29 2.43 2.89 0.00 -1.26 -5.06 105.19 105.48 1weu n GLY 75 Ca 0.04 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 2.13 -3.75 1.61 4.76 -1.26 -4.92 118.16 116.73 1weu n LYS 76 Ca 0.00 -4.40 -0.37 0.00 -2.87 0.00 0.00 58.31 50.67 1weu n LYS 76 Cb 0.00 -2.08 -0.13 0.00 -1.84 0.00 0.00 35.03 30.98 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 -2.13 3.11 -0.15 2.13 -0.00 -1.26 -5.01 118.94 115.64 1weu s TRP 77 Ca 0.38 -0.70 -0.06 0.00 -0.00 0.00 0.00 56.10 55.71 1weu s TRP 77 Cb 0.13 -2.25 -0.04 0.00 -0.00 0.00 0.00 33.47 31.31 1weu s TRP 77 CO -0.05 -0.47 0.07 -0.06 -0.00 0.00 0.00 176.95 176.44 1weu s PHE 78 N 1.56 3.30 0.74 5.86 0.40 -1.26 -2.28 117.98 126.30 1weu s PHE 78 Ca 0.05 0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 56.41 1weu s PHE 78 Cb -0.16 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 1weu s PHE 78 CO 0.03 0.34 0.77 0.00 0.70 0.00 0.00 175.22 177.06 1weu n PRO 80 N -1.48 0.49 -0.02 0.00 -0.04 -1.26 -2.02 135.00 130.67 1weu n PRO 80 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1weu n PRO 80 Cb 0.50 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.68 0.80 -0.09 0.54 1.74 -1.26 -4.52 116.66 113.19 1weu n ARG 81 Ca 0.04 -0.09 -0.23 0.00 -0.77 0.00 0.00 57.85 56.80 1weu n ARG 81 Cb 0.02 -1.31 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 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 -0.58 -1.85 -5.93 0.00 0.87 -1.74 -3.44 113.55 100.89 1weu h SER 83 Ca -0.50 0.24 -0.41 0.00 -1.23 0.00 0.00 61.79 59.89 1weu h SER 83 Cb 1.66 0.75 -0.23 0.00 -0.44 0.00 0.00 62.40 64.14 1weu h SER 83 CO -0.18 -0.40 -0.61 0.00 -0.53 0.00 0.00 176.83 175.11 1weu n GLN 84 N -5.35 -0.85 -1.26 2.24 1.13 -1.26 -4.83 117.38 107.20 1weu n GLN 84 Ca -0.04 0.08 -0.31 0.00 -1.94 0.00 0.00 57.00 54.80 1weu n GLN 84 Cb 0.34 -2.93 0.09 0.00 0.11 0.00 0.00 30.24 27.85 1weu n GLN 84 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1weu s GLU 85 N -5.32 2.25 -0.09 -1.09 4.04 -1.26 -5.05 118.70 112.18 1weu s GLU 85 Ca 0.42 1.16 0.03 0.00 0.04 0.00 0.00 54.97 56.61 1weu s GLU 85 Cb -0.24 -1.90 0.01 0.00 0.02 0.00 0.00 34.13 32.02 1weu s GLU 85 CO 0.67 -1.65 -0.17 -1.12 -1.84 0.00 0.00 175.26 171.16 1weu s SER 86 N -3.40 2.42 0.00 0.83 0.01 -1.26 -5.00 113.70 107.29 1weu s SER 86 Ca 0.61 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1weu s SER 86 Cb -0.17 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1weu s SER 86 CO 0.56 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1weu n GLY 87 N 3.80 1.72 0.06 3.44 0.00 -1.26 -5.06 105.19 107.89 1weu n GLY 87 Ca -0.21 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.01 -4.86 1.61 0.13 -2.05 -3.42 132.00 123.40 1weu h PRO 88 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1weu h PRO 88 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 1weu h PRO 88 CO 0.00 0.48 -0.53 -1.12 -0.23 0.00 0.00 178.00 176.60 1weu s SER 89 N -5.69 5.88 0.23 1.44 0.01 -1.26 -5.08 113.70 109.24 1weu s SER 89 Ca -0.16 -0.15 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 1weu s SER 89 Cb 0.02 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.07 1weu s SER 89 CO 0.67 -0.09 0.81 -0.55 0.41 0.00 0.00 173.24 174.49 1weu s SER 90 N 1.72 7.25 0.00 2.44 0.15 -1.26 -5.07 113.70 118.93 1weu s SER 90 Ca 0.07 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1weu s SER 90 Cb -0.16 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1weu s SER 90 CO 0.10 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.21