#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 0.03 1.61 1.04 -1.26 -5.20 113.70 109.90 1weu s SER 2 Ca 0.00 -0.25 -0.27 0.00 0.48 0.00 0.00 55.95 55.90 1weu s SER 2 Cb 0.00 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.42 1weu s SER 2 CO 0.00 -0.41 1.23 -0.94 0.98 0.00 0.00 173.24 174.11 1weu s SER 3 N -3.48 -0.00 -0.02 7.02 1.04 -1.26 -5.20 113.70 111.81 1weu s SER 3 Ca 0.23 -0.29 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 1weu s SER 3 Cb 0.01 0.22 0.10 0.00 0.10 0.00 0.00 66.02 66.45 1weu s SER 3 CO -0.01 -0.44 1.29 -0.83 0.98 0.00 0.00 173.24 174.23 1weu s GLY 4 N -3.64 -0.16 0.19 7.32 0.00 -1.26 -5.19 107.32 104.58 1weu s GLY 4 Ca 0.26 0.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.87 1weu s GLY 4 CO 0.00 5.00 1.01 -0.56 0.00 0.00 0.00 173.10 178.56 1weu s SER 5 N -3.71 -0.03 -0.18 1.64 0.01 -1.26 -5.19 113.70 104.97 1weu s SER 5 Ca 0.28 -0.63 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 1weu s SER 5 Cb 0.00 0.51 0.13 0.00 0.21 0.00 0.00 66.02 66.87 1weu s SER 5 CO -0.01 -1.00 1.02 -0.55 0.41 0.00 0.00 173.24 173.11 1weu s SER 6 N -3.28 -0.37 0.00 2.44 0.15 -1.26 -5.19 113.70 106.19 1weu s SER 6 Ca 0.19 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1weu s SER 6 Cb -0.02 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1weu s SER 6 CO 0.05 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1weu n GLY 7 N 0.99 5.42 3.54 9.45 0.00 -1.26 -5.17 105.19 118.16 1weu n GLY 7 Ca -0.10 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.16 -0.63 1.22 1.61 0.01 -1.26 -5.18 113.70 109.32 1weu s SER 8 Ca 0.00 0.92 -0.20 0.00 1.31 0.00 0.00 55.95 57.98 1weu s SER 8 Cb 0.00 1.51 0.30 0.00 0.21 0.00 0.00 66.02 68.04 1weu s SER 8 CO 0.00 -0.14 1.11 -2.16 0.41 0.00 0.00 173.24 172.46 1weu s PRO 9 N 1.98 -1.39 0.30 12.44 0.04 -1.26 -5.10 135.00 142.01 1weu s PRO 9 Ca -0.06 -0.13 -0.10 0.00 0.04 0.00 0.00 61.00 60.75 1weu s PRO 9 Cb -0.06 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.91 1weu s PRO 9 CO -0.17 -3.81 0.52 -1.21 0.04 0.00 0.00 177.00 172.37 1weu s GLU 10 N -5.45 1.76 0.42 4.56 0.41 -1.26 -5.19 118.70 113.95 1weu s GLU 10 Ca 0.71 -1.43 0.04 0.00 -0.41 0.00 0.00 54.97 53.88 1weu s GLU 10 Cb -0.09 0.49 -0.02 0.00 -1.78 0.00 0.00 34.13 32.73 1weu s GLU 10 CO 0.56 -0.75 0.13 0.71 -0.49 0.00 0.00 175.26 175.42 1weu s TYR 11 N -3.48 1.79 0.00 1.61 2.02 -1.26 -5.18 117.35 112.85 1weu s TYR 11 Ca 0.24 -1.28 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 1weu s TYR 11 Cb -0.01 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1weu s TYR 11 CO 0.13 -0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1weu n GLY 12 N -0.95 4.93 3.19 0.71 0.00 -1.26 -5.18 105.19 106.64 1weu n GLY 12 Ca -0.07 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.12 0.62 1.22 1.61 -1.94 -1.26 -5.17 119.30 113.25 1weu s MET 13 Ca 0.00 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.45 1weu s MET 13 Cb 0.00 0.27 0.30 0.00 2.01 0.00 0.00 34.83 37.41 1weu s MET 13 CO 0.00 -0.17 1.08 -0.35 -0.01 0.00 0.00 175.02 175.57 1weu n PRO 14 N 1.22 -3.13 -3.65 2.03 -0.04 -1.26 -5.09 135.00 125.08 1weu n PRO 14 Ca -0.22 -1.73 -0.25 0.00 -0.04 0.00 0.00 63.50 61.27 1weu n PRO 14 Cb 0.56 -1.62 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1weu n PRO 14 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1weu s SER 15 N -4.41 4.72 0.39 3.54 1.04 -1.26 -5.15 113.70 112.58 1weu s SER 15 Ca 0.70 -1.19 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1weu s SER 15 Cb -0.07 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.64 1weu s SER 15 CO 0.54 -1.25 0.51 1.33 0.98 0.00 0.00 173.24 175.34 1weu n VAL 16 N -1.96 0.00 -3.87 5.02 0.24 -1.26 -5.11 118.33 111.39 1weu n VAL 16 Ca 0.03 -1.34 -0.36 0.00 -2.04 0.00 0.00 64.34 60.64 1weu n VAL 16 Cb 0.64 -0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 1weu n VAL 16 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1weu s THR 17 N -1.50 5.46 1.00 3.34 2.01 -1.26 -5.07 115.64 119.61 1weu s THR 17 Ca 0.39 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 1weu s THR 17 Cb -0.03 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1weu s THR 17 CO 0.25 0.51 -0.45 0.33 -0.69 0.00 0.00 174.62 174.57 1weu n PHE 18 N 1.60 -3.08 -3.50 4.92 7.35 -1.26 -5.02 117.46 118.47 1weu n PHE 18 Ca -0.16 0.17 -0.17 0.00 -0.76 0.00 0.00 57.45 56.53 1weu n PHE 18 Cb 0.54 -1.55 -0.05 0.00 0.35 0.00 0.00 39.48 38.77 1weu n PHE 18 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1weu s GLY 19 N -1.41 -0.58 0.40 7.13 0.00 -1.26 -5.18 107.32 106.41 1weu s GLY 19 Ca 0.46 1.14 -0.14 0.00 0.00 0.00 0.00 44.72 46.19 1weu s GLY 19 CO 0.74 0.79 0.77 -0.45 0.00 0.00 0.00 173.10 174.95 1weu s SER 20 N -1.50 0.14 0.03 1.64 0.15 -1.26 -5.18 113.70 107.72 1weu s SER 20 Ca -0.09 -1.25 0.01 0.00 0.70 0.00 0.00 55.95 55.33 1weu s SER 20 Cb -0.00 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1weu s SER 20 CO 0.05 -1.70 -0.06 0.54 1.20 0.00 0.00 173.24 173.28 1weu s VAL 21 N -2.18 0.38 0.29 4.45 0.11 -1.26 -5.12 120.40 117.07 1weu s VAL 21 Ca 0.17 -0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 58.18 1weu s VAL 21 Cb -0.05 -0.44 -0.16 0.00 -1.53 0.00 0.00 36.38 34.21 1weu s VAL 21 CO 0.13 -0.30 0.28 1.41 -3.33 0.00 0.00 175.10 173.29 1weu n HIS 22 N 1.87 -1.28 -0.78 1.54 8.25 -1.26 -4.94 115.22 118.62 1weu n HIS 22 Ca -0.21 0.75 -0.16 0.00 -0.26 0.00 0.00 57.72 57.85 1weu n HIS 22 Cb 0.56 -1.78 0.13 0.00 1.12 0.00 0.00 29.99 30.02 1weu n HIS 22 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1weu n PRO 23 N 1.12 -2.14 -0.55 -0.41 -0.04 -1.26 -5.01 135.00 126.72 1weu n PRO 23 Ca 0.14 -0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 62.38 1weu n PRO 23 Cb 0.31 -0.86 0.23 0.00 -0.04 0.00 0.00 33.50 33.14 1weu n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1weu n SER 24 N -3.98 -2.10 -3.45 3.54 3.41 -1.26 -5.05 113.62 104.73 1weu n SER 24 Ca 0.08 -0.17 -0.03 0.00 -0.26 0.00 0.00 58.87 58.48 1weu n SER 24 Cb 0.31 -1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.09 1weu n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1weu s ASP 25 N -2.14 -0.66 -0.95 4.04 2.15 -1.26 -5.09 116.67 112.76 1weu s ASP 25 Ca 0.63 0.92 -0.03 0.00 0.43 0.00 0.00 52.55 54.50 1weu s ASP 25 Cb -0.20 1.74 0.24 0.00 -0.30 0.00 0.00 42.92 44.40 1weu s ASP 25 CO 0.66 -0.25 0.87 0.55 -0.17 0.00 0.00 175.17 176.83 1weu n VAL 26 N 5.41 3.40 -1.67 1.11 3.14 -1.26 -5.05 118.33 123.42 1weu n VAL 26 Ca -0.06 -5.19 -0.50 0.00 -2.96 0.00 0.00 64.34 55.63 1weu n VAL 26 Cb 0.50 -2.43 -0.05 0.00 -1.06 0.00 0.00 33.84 30.80 1weu n VAL 26 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1weu n LEU 27 N 2.37 2.80 -4.55 6.55 4.77 -1.26 -4.78 117.00 122.91 1weu n LEU 27 Ca 0.22 1.05 -0.26 0.00 -0.03 0.00 0.00 56.01 57.00 1weu n LEU 27 Cb 0.37 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.09 1weu n LEU 27 CO 0.39 -0.38 1.68 0.47 -1.33 0.00 0.00 177.39 178.22 1weu n ASP 28 N 4.61 1.95 -4.21 -1.43 9.92 -1.26 -4.89 116.55 121.25 1weu n ASP 28 Ca 0.21 -0.92 -0.37 0.00 -0.53 0.00 0.00 54.79 53.17 1weu n ASP 28 Cb 0.24 -1.58 0.04 0.00 -0.64 0.00 0.00 41.12 39.18 1weu n ASP 28 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1weu n MET 29 N 8.83 0.04 -1.21 -1.24 2.81 -1.26 -4.92 117.12 120.17 1weu n MET 29 Ca 0.43 0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 56.05 1weu n MET 29 Cb 0.47 -1.21 0.14 0.00 -0.71 0.00 0.00 33.22 31.91 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 1.28 0.64 0.03 0.04 -1.26 -5.02 135.00 128.85 1weu s PRO 30 Ca 0.52 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 1weu s PRO 30 Cb -0.33 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1weu s PRO 30 CO 0.71 -2.22 1.09 0.54 0.04 0.00 0.00 177.00 177.16 1weu s VAL 31 N -2.93 3.42 0.17 -0.36 0.11 -1.26 -5.06 120.40 114.49 1weu s VAL 31 Ca 0.63 0.66 0.10 0.00 -2.93 0.00 0.00 61.98 60.44 1weu s VAL 31 Cb -0.18 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1weu s VAL 31 CO 0.57 -0.40 -0.16 -1.81 -3.33 0.00 0.00 175.10 169.97 1weu s ASP 32 N -2.65 3.92 0.12 3.54 1.11 -1.26 -5.05 116.67 116.41 1weu s ASP 32 Ca 0.66 -0.67 -0.13 0.00 0.18 0.00 0.00 52.55 52.59 1weu s ASP 32 Cb -0.19 -0.54 -0.07 0.00 1.07 0.00 0.00 42.92 43.19 1weu s ASP 32 CO 0.40 0.12 1.45 1.55 1.18 0.00 0.00 175.17 179.87 1weu h PRO 33 N 3.15 0.81 -7.18 8.23 0.13 -2.05 -3.46 132.00 131.62 1weu h PRO 33 Ca -0.47 -0.43 -0.63 0.00 -0.87 0.00 0.00 66.00 63.61 1weu h PRO 33 Cb 1.20 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 31.98 1weu h PRO 33 CO 0.51 1.06 -0.91 0.09 -0.23 0.00 0.00 178.00 178.51 1weu n ASN 34 N -4.18 -1.64 -4.63 1.44 3.02 -1.26 -4.91 115.26 103.11 1weu n ASN 34 Ca -0.03 -1.24 -0.23 0.00 -0.03 0.00 0.00 54.58 53.04 1weu n ASN 34 Cb 0.50 -1.65 -0.08 0.00 -0.61 0.00 0.00 39.78 37.95 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 -7.25 2.23 1.01 3.52 0.41 -1.26 -5.13 118.70 112.23 1weu s GLU 35 Ca 0.76 -1.44 -0.12 0.00 -0.41 0.00 0.00 54.97 53.75 1weu s GLU 35 Cb -0.44 -2.13 0.19 0.00 -1.78 0.00 0.00 34.13 29.98 1weu s GLU 35 CO 1.02 0.36 1.09 -1.25 -0.49 0.00 0.00 175.26 176.00 1weu s PRO 36 N -3.64 0.35 0.06 0.39 0.04 -1.26 -4.79 135.00 126.16 1weu s PRO 36 Ca 0.31 0.50 0.05 0.00 0.04 0.00 0.00 61.00 61.90 1weu s PRO 36 Cb -0.06 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1weu s PRO 36 CO 0.19 -2.78 -0.14 0.95 0.04 0.00 0.00 177.00 175.26 1weu s THR 37 N -2.96 1.10 0.00 1.26 -4.23 -1.26 -3.90 115.64 105.64 1weu s THR 37 Ca 0.65 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1weu s THR 37 Cb -0.19 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1weu s THR 37 CO 0.58 -0.17 0.00 -1.22 -0.54 0.00 0.00 174.62 173.27 1weu n TYR 38 N 1.44 0.00 -0.62 3.99 4.02 -1.20 -4.88 117.16 119.92 1weu n TYR 38 Ca -0.20 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.37 1weu n TYR 38 Cb 0.54 0.07 0.20 0.00 -0.02 0.00 0.00 39.34 40.13 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 -2.24 0.19 -0.29 0.00 3.38 -1.95 -1.67 115.31 112.72 1weu h LEU 40 Ca -0.56 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1weu h LEU 40 Cb 1.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1weu h LEU 40 CO 0.41 0.41 0.00 0.00 0.09 0.00 0.00 178.44 179.35 1weu n HIS 42 N -0.35 -1.54 -4.48 0.00 8.25 -0.63 -4.96 115.22 111.51 1weu n HIS 42 Ca 0.00 0.47 -0.24 0.00 -0.26 0.00 0.00 57.72 57.70 1weu n HIS 42 Cb 0.07 -3.21 -0.10 0.00 1.12 0.00 0.00 29.99 27.87 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 -6.87 1.69 0.43 -0.41 -1.52 -1.26 -4.81 119.66 106.90 1weu s GLN 43 Ca 0.23 -1.84 -0.24 0.00 -1.95 0.00 0.00 55.36 51.56 1weu s GLN 43 Cb -0.11 -1.56 -0.10 0.00 -0.22 0.00 0.00 33.01 31.02 1weu s GLN 43 CO 0.93 0.17 0.96 1.55 -0.25 0.00 0.00 175.29 178.65 1weu n VAL 44 N -0.67 2.43 -2.90 1.09 3.14 -1.25 -3.24 118.33 116.93 1weu n VAL 44 Ca -0.05 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.40 1weu n VAL 44 Cb 0.62 -1.09 -0.04 0.00 -1.06 0.00 0.00 33.84 32.27 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 -0.78 6.27 0.32 6.55 1.04 -1.26 -4.89 113.70 120.95 1weu s SER 45 Ca 0.64 -0.63 0.06 0.00 0.48 0.00 0.00 55.95 56.50 1weu s SER 45 Cb -0.56 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.14 1weu s SER 45 CO 0.56 -1.22 0.41 -0.72 0.98 0.00 0.00 173.24 173.25 1weu s TYR 46 N 3.73 3.13 0.11 5.02 1.13 -1.26 -4.97 117.35 124.24 1weu s TYR 46 Ca 0.25 -0.20 -0.03 0.00 -1.41 0.00 0.00 57.07 55.68 1weu s TYR 46 Cb -0.15 -1.87 0.18 0.00 -1.10 0.00 0.00 41.96 39.02 1weu s TYR 46 CO 0.15 0.11 0.62 0.41 -2.51 0.00 0.00 175.55 174.34 1weu n GLY 47 N -1.54 -0.67 3.54 5.49 0.00 -1.26 -3.90 105.19 106.85 1weu n GLY 47 Ca -0.02 0.43 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.65 0.86 -3.59 1.61 1.02 -1.26 -4.85 120.64 109.78 1weu n GLU 48 Ca 0.06 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1weu n GLU 48 Cb 0.20 -3.04 -0.06 0.00 -0.02 0.00 0.00 31.44 28.51 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 8.34 0.72 -0.03 3.49 -1.94 -1.25 -4.35 119.30 124.28 1weu s MET 49 Ca 1.06 0.47 0.05 0.00 -1.71 0.00 0.00 55.69 55.56 1weu s MET 49 Cb -0.41 0.35 -0.08 0.00 2.01 0.00 0.00 34.83 36.70 1weu s MET 49 CO 0.31 -0.17 0.08 0.44 -0.01 0.00 0.00 175.02 175.67 1weu n ILE 50 N 1.58 0.19 -2.56 2.53 -0.00 -1.25 -4.80 119.36 115.04 1weu n ILE 50 Ca -0.14 -0.19 -0.04 0.00 -0.00 0.00 0.00 62.75 62.39 1weu n ILE 50 Cb 0.57 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.64 39.95 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 2.40 -4.95 2.84 3.28 0.00 -1.26 -4.32 105.19 103.18 1weu n GLY 51 Ca -0.05 1.23 -0.41 0.00 0.00 0.00 0.00 46.02 46.79 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 1.10 0.00 -3.13 0.00 3.58 -1.62 -3.43 116.42 112.93 1weu h ASP 53 Ca -0.26 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.60 1weu h ASP 53 Cb 1.20 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 1weu h ASP 53 CO 0.48 0.00 0.76 0.21 -2.88 0.00 0.00 179.24 177.81 1weu s ASN 54 N -4.40 7.05 0.54 2.28 2.47 -1.26 -4.91 114.94 116.71 1weu s ASN 54 Ca 0.05 1.30 0.34 0.00 0.42 0.00 0.00 52.86 54.97 1weu s ASN 54 Cb 0.10 -2.53 1.40 0.00 -1.45 0.00 0.00 41.25 38.77 1weu s ASN 54 CO 0.44 -0.67 1.99 1.55 -3.72 0.00 0.00 177.10 176.69 1weu h PRO 55 N 7.54 0.00 0.20 0.43 0.13 -2.00 -2.99 132.00 135.31 1weu h PRO 55 Ca -0.20 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.61 1weu h PRO 55 Cb 1.06 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.22 1weu h PRO 55 CO 0.97 0.00 -1.44 0.22 -0.23 0.00 0.00 178.00 177.52 1weu h ASP 56 N 0.00 0.67 -1.14 1.44 3.58 -1.96 -3.46 116.42 115.55 1weu h ASP 56 Ca 0.00 -0.75 -0.79 0.00 0.42 0.00 0.00 57.03 55.91 1weu h ASP 56 Cb 0.48 -0.22 0.04 0.00 1.72 0.00 0.00 39.33 41.35 1weu h ASP 56 CO 0.00 1.60 0.27 0.00 -2.88 0.00 0.00 179.24 178.23 1weu h SER 58 N 3.80 -0.04 0.46 0.00 4.64 -1.90 -3.35 113.55 117.16 1weu h SER 58 Ca -0.49 -0.44 -0.02 0.00 -0.47 0.00 0.00 61.79 60.37 1weu h SER 58 Cb 1.40 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1weu h SER 58 CO 0.74 0.42 -0.22 0.40 -0.87 0.00 0.00 176.83 177.30 1weu h ILE 59 N -0.52 0.00 -7.02 0.95 2.04 -1.93 -3.46 117.51 107.57 1weu h ILE 59 Ca -0.00 -0.43 -0.60 0.00 1.00 0.00 0.00 64.86 64.83 1weu h ILE 59 Cb 0.47 0.00 -0.28 0.00 -0.74 0.00 0.00 36.82 36.27 1weu h ILE 59 CO 0.01 0.00 -0.90 -1.84 0.00 0.00 0.00 178.15 175.41 1weu n GLU 60 N -4.86 -1.53 -3.57 2.37 0.28 -1.26 -4.89 120.64 107.18 1weu n GLU 60 Ca -0.08 0.20 -0.02 0.00 -0.16 0.00 0.00 57.16 57.11 1weu n GLU 60 Cb 0.24 -4.53 -0.05 0.00 1.43 0.00 0.00 31.44 28.53 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 -3.58 -0.91 0.30 -1.84 0.52 -1.26 -3.34 118.94 108.84 1weu s TRP 61 Ca 0.56 1.66 -0.09 0.00 0.02 0.00 0.00 56.10 58.25 1weu s TRP 61 Cb -0.32 0.54 0.03 0.00 -1.15 0.00 0.00 33.47 32.58 1weu s TRP 61 CO 0.99 -0.45 0.55 1.19 0.02 0.00 0.00 176.95 179.25 1weu n PHE 62 N 4.68 -1.83 -3.79 -1.98 3.72 -1.26 -3.34 117.46 113.66 1weu n PHE 62 Ca -0.14 -1.59 -0.25 0.00 -0.05 0.00 0.00 57.45 55.42 1weu n PHE 62 Cb 0.54 0.64 -0.00 0.00 -0.94 0.00 0.00 39.48 39.72 1weu n PHE 62 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1weu s HIS 63 N -3.56 1.70 -0.16 1.38 3.76 -1.26 -3.83 115.29 113.32 1weu s HIS 63 Ca 0.16 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1weu s HIS 63 Cb -0.03 -1.96 -0.23 0.00 1.11 0.00 0.00 32.58 31.47 1weu s HIS 63 CO 0.12 -0.50 0.20 1.19 -0.85 0.00 0.00 174.74 174.89 1weu n PHE 64 N -1.78 0.75 1.70 1.40 3.72 -1.26 -4.03 117.46 117.96 1weu n PHE 64 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1weu n PHE 64 Cb 0.64 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 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 -3.01 2.37 0.10 4.37 0.00 -1.26 0.95 120.51 124.04 1weu n ALA 65 Ca -0.35 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.12 1weu n ALA 65 Cb 1.04 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.46 0.00 0.00 0.00 0.24 -1.07 -5.03 118.33 111.01 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 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 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 1.72 0.75 2.49 7.63 0.00 0.27 -5.10 105.19 112.95 1weu n GLY 68 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 0.46 -0.40 0.99 4.77 -1.01 -4.97 117.00 116.84 1weu n LEU 69 Ca 0.00 -4.61 0.32 0.00 -0.03 0.00 0.00 56.01 51.69 1weu n LEU 69 Cb 0.00 0.23 0.51 0.00 -2.33 0.00 0.00 43.42 41.83 1weu n LEU 69 CO 0.00 1.86 0.93 1.07 -1.33 0.00 0.00 177.39 179.91 1weu n THR 70 N 2.49 -0.10 -4.07 -5.08 5.66 -1.26 -4.49 114.28 107.44 1weu n THR 70 Ca 0.27 1.16 -0.13 0.00 -3.05 0.00 0.00 64.05 62.30 1weu n THR 70 Cb 0.45 -1.91 -0.04 0.00 -1.55 0.00 0.00 70.33 67.28 1weu n THR 70 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1weu n THR 71 N -3.75 0.00 -3.20 1.09 5.66 -1.26 -5.12 114.28 107.70 1weu n THR 71 Ca 0.29 -1.61 -0.44 0.00 -3.05 0.00 0.00 64.05 59.25 1weu n THR 71 Cb 1.22 0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 70.83 1weu n THR 71 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1weu s LYS 72 N -2.81 3.09 0.30 1.09 2.20 -1.26 -4.92 119.74 117.43 1weu s LYS 72 Ca 0.26 -1.00 0.08 0.00 -0.36 0.00 0.00 55.97 54.96 1weu s LYS 72 Cb 0.00 -4.11 0.46 0.00 -1.51 0.00 0.00 37.83 32.67 1weu s LYS 72 CO 0.19 -1.21 1.69 -1.00 -0.36 0.00 0.00 175.35 174.66 1weu h PRO 73 N 8.96 0.15 -6.19 4.03 0.13 -1.90 -3.46 132.00 133.71 1weu h PRO 73 Ca -0.28 -0.08 -0.42 0.00 -0.87 0.00 0.00 66.00 64.35 1weu h PRO 73 Cb 1.10 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.04 1weu h PRO 73 CO 0.96 0.59 -0.64 2.89 -0.23 0.00 0.00 178.00 181.57 1weu n ARG 74 N -3.98 -0.90 0.00 0.86 1.85 -1.26 -4.76 116.66 108.48 1weu n ARG 74 Ca -0.02 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1weu n ARG 74 Cb 0.51 -2.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.18 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 -1.60 2.40 1.79 2.89 0.00 -1.26 -4.98 105.19 104.43 1weu n GLY 75 Ca -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1weu n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1weu n LYS 76 N 0.00 4.69 -1.95 1.61 3.00 -1.26 -4.54 118.16 119.71 1weu n LYS 76 Ca 0.00 -3.13 -0.43 0.00 -0.00 0.00 0.00 58.31 54.75 1weu n LYS 76 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 35.03 32.79 1weu n LYS 76 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 1weu s TRP 77 N -2.74 1.77 -0.19 5.64 -0.00 -1.26 -4.84 118.94 117.32 1weu s TRP 77 Ca 0.53 0.50 -0.06 0.00 -0.00 0.00 0.00 56.10 57.07 1weu s TRP 77 Cb 0.41 -4.06 -0.03 0.00 -0.00 0.00 0.00 33.47 29.79 1weu s TRP 77 CO 0.16 -3.32 0.04 -0.06 -0.00 0.00 0.00 176.95 173.77 1weu s PHE 78 N 6.36 3.14 0.72 5.86 0.40 -1.26 -1.90 117.98 131.29 1weu s PHE 78 Ca 0.81 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.81 1weu s PHE 78 Cb -0.26 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1weu s PHE 78 CO 0.33 -0.04 0.49 0.00 0.70 0.00 0.00 175.22 176.70 1weu n PRO 80 N -0.61 0.49 -0.01 0.00 -0.04 -1.26 -1.95 135.00 131.62 1weu n PRO 80 Ca 0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1weu n PRO 80 Cb 0.50 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.76 0.51 -0.09 0.54 1.74 -1.26 -4.57 116.66 112.76 1weu n ARG 81 Ca 0.06 -0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 1weu n ARG 81 Cb 0.03 -1.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 -4.50 -0.16 -1.57 0.00 2.88 -1.09 -4.76 113.62 104.43 1weu n SER 83 Ca -0.19 1.37 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 1weu n SER 83 Cb 0.48 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.46 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 -5.19 -1.12 -4.55 -1.46 -0.06 -1.26 -5.01 117.38 98.72 1weu n GLN 84 Ca 0.17 0.73 -0.30 0.00 -2.00 0.00 0.00 57.00 55.60 1weu n GLN 84 Cb 0.55 -5.00 -0.13 0.00 -4.06 0.00 0.00 30.24 21.60 1weu n GLN 84 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1weu s GLU 85 N -4.54 1.74 -0.04 3.69 2.02 -1.26 -5.14 118.70 115.17 1weu s GLU 85 Ca 0.00 -1.17 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 1weu s GLU 85 Cb 0.00 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1weu s GLU 85 CO 0.00 0.49 0.14 -1.54 0.02 0.00 0.00 175.26 174.37 1weu s SER 86 N -1.75 -0.09 0.00 -0.19 1.04 -1.26 -5.09 113.70 106.37 1weu s SER 86 Ca 0.15 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1weu s SER 86 Cb -0.10 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1weu s SER 86 CO 0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1weu n GLY 87 N 2.46 3.37 3.56 7.32 0.00 -1.26 -4.99 105.19 115.65 1weu n GLY 87 Ca -0.16 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 3.89 2.54 -0.45 1.61 0.04 -1.26 -4.78 135.00 136.60 1weu s PRO 88 Ca 0.00 -0.45 0.05 0.00 0.04 0.00 0.00 61.00 60.64 1weu s PRO 88 Cb 0.00 -5.10 0.42 0.00 0.04 0.00 0.00 34.50 29.86 1weu s PRO 88 CO 0.00 -3.49 1.11 -1.13 0.04 0.00 0.00 177.00 173.53 1weu n SER 89 N 14.06 4.72 -4.69 6.66 3.41 -1.26 -5.05 113.62 131.47 1weu n SER 89 Ca 0.41 -3.72 -0.42 0.00 -0.26 0.00 0.00 58.87 54.88 1weu n SER 89 Cb 0.47 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1weu n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1weu s SER 90 N -3.52 6.85 0.00 4.04 0.15 -1.26 -5.27 113.70 114.69 1weu s SER 90 Ca 0.48 2.12 0.31 0.00 0.70 0.00 0.00 55.95 59.56 1weu s SER 90 Cb 0.39 -2.56 1.75 0.00 -1.71 0.00 0.00 66.02 63.89 1weu s SER 90 CO -0.19 -0.72 2.14 0.61 1.20 0.00 0.00 173.24 176.28