#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 0.19 1.61 1.04 -1.26 -5.19 113.70 110.05 1weu s SER 2 Ca 0.00 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 1weu s SER 2 Cb 0.00 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1weu s SER 2 CO 0.00 -1.21 1.02 -0.94 0.98 0.00 0.00 173.24 173.09 1weu s SER 3 N -3.21 -0.02 0.00 7.02 1.04 -1.26 -5.19 113.70 112.08 1weu s SER 3 Ca 0.18 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1weu s SER 3 Cb -0.03 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1weu s SER 3 CO 0.07 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1weu n GLY 4 N -0.66 4.34 3.85 7.32 0.00 -1.26 -5.19 105.19 113.58 1weu n GLY 4 Ca -0.04 -1.32 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 0.66 -0.01 0.36 1.61 1.04 -1.26 -5.19 113.70 110.90 1weu s SER 5 Ca 0.00 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 1weu s SER 5 Cb 0.00 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1weu s SER 5 CO 0.00 -1.23 0.67 -0.55 0.98 0.00 0.00 173.24 173.11 1weu s SER 6 N -3.25 0.32 0.00 7.02 0.15 -1.26 -5.19 113.70 111.49 1weu s SER 6 Ca 0.19 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1weu s SER 6 Cb -0.03 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1weu s SER 6 CO 0.07 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.60 1weu n GLY 7 N -0.54 5.44 3.51 9.45 0.00 -1.26 -5.18 105.19 116.61 1weu n GLY 7 Ca -0.05 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 1.00 -0.71 1.10 1.61 0.01 -1.26 -5.18 113.70 110.28 1weu s SER 8 Ca 0.00 1.25 -0.08 0.00 1.31 0.00 0.00 55.95 58.43 1weu s SER 8 Cb 0.00 1.20 0.12 0.00 0.21 0.00 0.00 66.02 67.55 1weu s SER 8 CO 0.00 -0.22 0.45 -0.81 0.41 0.00 0.00 173.24 173.07 1weu n PRO 9 N 3.48 -1.88 -3.81 12.44 -0.04 -1.26 -5.10 135.00 138.83 1weu n PRO 9 Ca -0.17 -0.71 -0.10 0.00 -0.04 0.00 0.00 63.50 62.48 1weu n PRO 9 Cb 0.57 -0.67 -0.07 0.00 -0.04 0.00 0.00 33.50 33.29 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 -4.01 0.84 0.36 0.54 2.12 -1.26 -5.18 118.70 112.11 1weu s GLU 10 Ca 0.29 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.88 1weu s GLU 10 Cb -0.03 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 1weu s GLU 10 CO 0.22 -0.27 0.09 -0.47 -0.54 0.00 0.00 175.26 174.29 1weu s TYR 11 N -3.35 1.86 0.00 5.30 5.04 -1.26 -5.17 117.35 119.78 1weu s TYR 11 Ca 0.01 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.53 1weu s TYR 11 Cb 0.02 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 41.11 1weu s TYR 11 CO -0.08 -0.13 0.00 0.41 -1.34 0.00 0.00 175.55 174.41 1weu n GLY 12 N -0.79 5.55 3.47 8.97 0.00 -1.26 -5.18 105.19 115.94 1weu n GLY 12 Ca -0.04 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 1.20 0.73 0.26 1.61 -1.94 -1.26 -5.18 119.30 114.73 1weu s MET 13 Ca 0.00 0.65 -0.04 0.00 -1.71 0.00 0.00 55.69 54.59 1weu s MET 13 Cb 0.00 0.35 0.07 0.00 2.01 0.00 0.00 34.83 37.26 1weu s MET 13 CO 0.00 -0.12 0.23 -0.35 -0.01 0.00 0.00 175.02 174.77 1weu n PRO 14 N 2.39 -1.48 -4.06 2.03 -0.04 -1.26 -5.10 135.00 127.48 1weu n PRO 14 Ca -0.15 -0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 62.86 1weu n PRO 14 Cb 0.56 -0.35 -0.09 0.00 -0.04 0.00 0.00 33.50 33.58 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 -2.14 0.38 0.04 3.54 1.04 -1.26 -5.17 113.70 110.13 1weu s SER 15 Ca 0.15 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 55.65 1weu s SER 15 Cb -0.01 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1weu s SER 15 CO 0.12 -0.66 -0.15 -0.69 0.98 0.00 0.00 173.24 172.84 1weu s VAL 16 N -3.94 1.16 0.01 5.02 1.01 -1.26 -5.15 120.40 117.24 1weu s VAL 16 Ca 0.10 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1weu s VAL 16 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1weu s VAL 16 CO -0.07 0.01 0.13 -0.89 0.00 0.00 0.00 175.10 174.28 1weu s THR 17 N -0.87 0.09 0.50 3.92 2.01 -1.26 -5.17 115.64 114.85 1weu s THR 17 Ca 0.02 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1weu s THR 17 Cb -0.08 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 72.00 1weu s THR 17 CO 0.01 -0.40 0.62 0.12 -0.69 0.00 0.00 174.62 174.28 1weu s PHE 18 N -1.50 2.07 -0.14 4.92 5.36 -1.26 -5.13 117.98 122.29 1weu s PHE 18 Ca -0.14 -0.60 -0.06 0.00 -0.96 0.00 0.00 56.93 55.17 1weu s PHE 18 Cb -0.07 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.45 1weu s PHE 18 CO 0.01 -0.69 0.31 0.20 -1.46 0.00 0.00 175.22 173.59 1weu s GLY 19 N -4.44 -0.20 0.02 13.12 0.00 -1.26 -5.16 107.32 109.41 1weu s GLY 19 Ca 0.54 1.15 -0.14 0.00 0.00 0.00 0.00 44.72 46.27 1weu s GLY 19 CO 0.33 1.79 0.30 -0.45 0.00 0.00 0.00 173.10 175.08 1weu s SER 20 N 1.95 -0.14 -0.24 1.64 0.15 -1.26 -5.17 113.70 110.62 1weu s SER 20 Ca -0.04 -0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 1weu s SER 20 Cb -0.11 0.34 0.13 0.00 -1.71 0.00 0.00 66.02 64.67 1weu s SER 20 CO -0.10 -0.55 1.04 0.54 1.20 0.00 0.00 173.24 175.37 1weu s VAL 21 N -2.11 0.00 -0.26 4.45 0.11 -1.26 -5.18 120.40 116.15 1weu s VAL 21 Ca -0.08 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.71 1weu s VAL 21 Cb -0.02 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.97 1weu s VAL 21 CO -0.01 0.00 1.16 -1.38 -3.33 0.00 0.00 175.10 171.54 1weu s HIS 22 N -0.20 -0.31 0.63 1.54 -3.43 -1.26 -5.17 115.29 107.09 1weu s HIS 22 Ca 0.02 0.71 -0.16 0.00 -0.80 0.00 0.00 55.06 54.83 1weu s HIS 22 Cb -0.04 0.42 -0.01 0.00 -1.43 0.00 0.00 32.58 31.52 1weu s HIS 22 CO -0.04 -0.18 1.11 -1.25 -2.00 0.00 0.00 174.74 172.38 1weu s PRO 23 N -0.17 2.93 -0.10 -0.38 0.04 -1.26 -5.06 135.00 131.00 1weu s PRO 23 Ca 0.04 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1weu s PRO 23 Cb -0.04 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1weu s PRO 23 CO -0.07 -1.15 -0.10 0.45 0.04 0.00 0.00 177.00 176.16 1weu s SER 24 N -2.40 2.10 -0.37 6.66 0.15 -1.26 -5.09 113.70 113.50 1weu s SER 24 Ca 0.68 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.01 1weu s SER 24 Cb -0.21 -0.89 0.12 0.00 -1.71 0.00 0.00 66.02 63.33 1weu s SER 24 CO 0.38 -0.05 0.17 1.51 1.20 0.00 0.00 173.24 176.45 1weu s ASP 25 N 1.27 3.80 -0.62 5.45 1.47 -1.26 -5.02 116.67 121.75 1weu s ASP 25 Ca -0.03 -2.12 0.05 0.00 1.18 0.00 0.00 52.55 51.63 1weu s ASP 25 Cb -0.14 -0.92 0.17 0.00 -0.34 0.00 0.00 42.92 41.69 1weu s ASP 25 CO -0.04 -0.34 0.44 -0.69 0.68 0.00 0.00 175.17 175.22 1weu s VAL 26 N 1.02 2.20 -1.09 2.11 1.01 -1.26 -4.89 120.40 119.49 1weu s VAL 26 Ca 0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 61.98 58.28 1weu s VAL 26 Cb -0.21 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.76 1weu s VAL 26 CO -0.12 -1.06 0.11 -0.11 0.00 0.00 0.00 175.10 173.92 1weu n LEU 27 N 2.27 -0.61 -4.56 3.92 7.94 -1.26 -4.68 117.00 120.02 1weu n LEU 27 Ca 0.22 -0.84 -0.26 0.00 -1.11 0.00 0.00 56.01 54.01 1weu n LEU 27 Cb 0.38 -1.06 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 1weu n LEU 27 CO 0.22 0.25 1.50 1.51 -1.11 0.00 0.00 177.39 179.76 1weu s ASP 28 N -3.54 4.54 0.93 1.96 -4.77 -1.26 -4.92 116.67 109.61 1weu s ASP 28 Ca 0.15 0.17 -0.16 0.00 -3.30 0.00 0.00 52.55 49.41 1weu s ASP 28 Cb -0.09 -2.54 -0.08 0.00 -1.09 0.00 0.00 42.92 39.13 1weu s ASP 28 CO 0.67 -3.13 -0.25 0.23 0.70 0.00 0.00 175.17 173.39 1weu n MET 29 N 8.94 -0.07 -1.12 2.11 2.81 -1.26 -4.95 117.12 123.58 1weu n MET 29 Ca 0.38 -0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.98 1weu n MET 29 Cb 0.48 -1.35 0.21 0.00 -0.71 0.00 0.00 33.22 31.85 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 -2.54 -0.39 0.06 0.03 0.04 -1.26 -5.07 135.00 125.87 1weu s PRO 30 Ca 0.49 0.24 0.07 0.00 0.04 0.00 0.00 61.00 61.83 1weu s PRO 30 Cb -0.22 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1weu s PRO 30 CO 0.75 -3.22 -0.14 0.54 0.04 0.00 0.00 177.00 174.96 1weu s VAL 31 N -2.98 3.08 0.20 -0.36 0.11 -1.26 -5.14 120.40 114.05 1weu s VAL 31 Ca 0.68 -1.19 0.11 0.00 -2.93 0.00 0.00 61.98 58.65 1weu s VAL 31 Cb -0.15 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 1weu s VAL 31 CO 0.57 0.25 -0.23 -1.81 -3.33 0.00 0.00 175.10 170.55 1weu s ASP 32 N -1.75 3.50 0.00 3.54 1.11 -1.26 -5.01 116.67 116.81 1weu s ASP 32 Ca 0.17 -0.87 0.11 0.00 0.18 0.00 0.00 52.55 52.14 1weu s ASP 32 Cb -0.11 -0.29 0.66 0.00 1.07 0.00 0.00 42.92 44.26 1weu s ASP 32 CO 0.09 0.11 1.10 -0.81 1.18 0.00 0.00 175.17 176.83 1weu n PRO 33 N 0.13 0.49 -0.30 8.23 -0.04 -1.26 -3.82 135.00 138.43 1weu n PRO 33 Ca -0.11 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1weu n PRO 33 Cb 0.56 -1.36 0.28 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.13 -2.70 3.54 4.21 -2.05 -3.42 115.58 115.03 1weu h ASN 34 Ca 0.00 0.21 -0.56 0.00 1.21 0.00 0.00 56.30 57.17 1weu h ASN 34 Cb 0.00 0.32 0.21 0.00 -1.12 0.00 0.00 38.32 37.73 1weu h ASN 34 CO 0.00 -0.21 -0.99 -0.62 -1.29 0.00 0.00 177.43 174.32 1weu n GLU 35 N -5.30 0.04 -1.07 0.81 -0.58 -1.25 -4.96 120.64 108.33 1weu n GLU 35 Ca 0.21 0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.68 1weu n GLU 35 Cb 0.68 -1.46 0.25 0.00 -0.57 0.00 0.00 31.44 30.35 1weu n GLU 35 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1weu s PRO 36 N -2.43 -1.48 0.07 3.49 0.04 -1.26 -4.79 135.00 128.63 1weu s PRO 36 Ca 0.55 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.47 1weu s PRO 36 Cb -0.29 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1weu s PRO 36 CO 0.69 -3.86 -0.12 0.95 0.04 0.00 0.00 177.00 174.69 1weu s THR 37 N -3.02 0.93 0.19 1.26 -4.23 -1.26 -3.99 115.64 105.53 1weu s THR 37 Ca 0.72 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1weu s THR 37 Cb -0.08 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1weu s THR 37 CO 0.56 -0.31 0.00 -1.22 -0.54 0.00 0.00 174.62 173.11 1weu n TYR 38 N 1.25 -1.39 -0.92 3.99 4.02 -1.20 -4.88 117.16 118.04 1weu n TYR 38 Ca -0.21 0.25 -0.32 0.00 -0.01 0.00 0.00 57.90 57.61 1weu n TYR 38 Cb 0.55 0.34 0.03 0.00 -0.02 0.00 0.00 39.34 40.23 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 -0.65 -0.00 -0.40 0.00 3.38 -1.97 0.52 115.31 116.20 1weu h LEU 40 Ca -0.38 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1weu h LEU 40 Cb 1.16 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1weu h LEU 40 CO 0.24 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1weu n HIS 42 N -1.71 -1.93 -4.52 0.00 8.25 0.18 -5.04 115.22 110.46 1weu n HIS 42 Ca -0.00 0.74 -0.26 0.00 -0.26 0.00 0.00 57.72 57.94 1weu n HIS 42 Cb 0.01 -4.20 -0.10 0.00 1.12 0.00 0.00 29.99 26.82 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 1.85 -0.13 -0.41 -1.52 -1.26 -4.82 119.66 108.73 1weu s GLN 43 Ca 0.19 -1.91 -0.29 0.00 -1.95 0.00 0.00 55.36 51.39 1weu s GLN 43 Cb -0.02 -1.74 -0.07 0.00 -0.22 0.00 0.00 33.01 30.96 1weu s GLN 43 CO 0.61 0.14 2.12 1.33 -0.25 0.00 0.00 175.29 179.24 1weu n VAL 44 N -0.81 0.50 -1.58 1.09 0.24 -1.26 -3.21 118.33 113.30 1weu n VAL 44 Ca -0.05 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 1weu n VAL 44 Cb 0.63 -2.41 -0.03 0.00 -1.47 0.00 0.00 33.84 30.56 1weu n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1weu n SER 45 N 9.93 3.02 -4.86 -1.34 3.41 -1.26 -4.95 113.62 117.57 1weu n SER 45 Ca 0.27 0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 58.72 1weu n SER 45 Cb 0.42 -1.56 0.08 0.00 -0.26 0.00 0.00 64.21 62.89 1weu n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1weu n TYR 46 N 12.64 -2.41 0.00 7.33 0.18 -1.26 -5.04 117.16 128.60 1weu n TYR 46 Ca 0.32 -2.05 0.00 0.00 1.88 0.00 0.00 57.90 58.05 1weu n TYR 46 Cb 0.46 -0.58 0.00 0.00 -0.38 0.00 0.00 39.34 38.84 1weu n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1weu n GLY 47 N -2.16 -2.14 2.51 -7.48 0.00 -1.26 -4.39 105.19 90.27 1weu n GLY 47 Ca 0.16 0.46 -0.46 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.69 0.00 -3.57 1.61 1.02 -1.26 -4.90 120.64 112.85 1weu n GLU 48 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1weu n GLU 48 Cb 0.00 -1.03 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 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 2.37 0.73 0.00 3.49 -1.94 -1.26 -4.67 119.30 118.02 1weu s MET 49 Ca 0.73 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 55.03 1weu s MET 49 Cb -1.03 0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.16 1weu s MET 49 CO 0.54 -0.20 0.00 0.44 -0.01 0.00 0.00 175.02 175.79 1weu n ILE 50 N 1.17 0.00 -2.23 2.53 -0.00 -1.25 -4.97 119.36 114.60 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 0.57 -0.50 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 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 2.62 -4.70 3.28 3.28 0.00 -1.26 -4.83 105.19 103.57 1weu n GLY 51 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1weu n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weu n ASP 53 N 1.83 3.20 -4.49 0.00 9.92 -0.55 -4.85 116.55 121.61 1weu n ASP 53 Ca 0.07 -2.03 -0.38 0.00 -0.53 0.00 0.00 54.79 51.93 1weu n ASP 53 Cb 0.49 -0.40 -0.12 0.00 -0.64 0.00 0.00 41.12 40.45 1weu n ASP 53 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1weu s ASN 54 N -0.99 5.58 0.00 -2.24 2.47 -1.26 -4.95 114.94 113.55 1weu s ASN 54 Ca 0.39 -0.29 0.16 0.00 0.42 0.00 0.00 52.86 53.54 1weu s ASN 54 Cb 0.21 -2.02 0.91 0.00 -1.45 0.00 0.00 41.25 38.90 1weu s ASN 54 CO 0.26 -0.11 1.36 -0.81 -3.72 0.00 0.00 177.10 174.08 1weu n PRO 55 N 4.99 0.45 -1.03 0.43 -0.04 -1.26 -2.42 135.00 136.12 1weu n PRO 55 Ca -0.14 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1weu n PRO 55 Cb 0.51 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 1weu n PRO 55 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1weu n ASP 56 N -1.05 2.59 -4.92 3.54 9.92 -1.26 -5.05 116.55 120.33 1weu n ASP 56 Ca 0.11 -3.82 -0.27 0.00 -0.53 0.00 0.00 54.79 50.28 1weu n ASP 56 Cb 0.06 -0.47 -0.02 0.00 -0.64 0.00 0.00 41.12 40.05 1weu n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1weu h SER 58 N 1.37 0.55 0.00 0.00 0.87 -1.97 -3.40 113.55 110.97 1weu h SER 58 Ca -0.48 -0.91 -0.37 0.00 -1.23 0.00 0.00 61.79 58.80 1weu h SER 58 Cb 1.20 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.92 1weu h SER 58 CO 0.65 1.73 -2.36 -0.38 -0.53 0.00 0.00 176.83 175.93 1weu n ILE 59 N -3.72 1.36 -2.22 2.23 -0.00 -1.26 -4.96 119.36 110.79 1weu n ILE 59 Ca -0.24 -0.49 -0.01 0.00 -0.00 0.00 0.00 62.75 62.00 1weu n ILE 59 Cb 1.01 -1.42 -0.00 0.00 -0.00 0.00 0.00 39.64 39.23 1weu n ILE 59 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1weu n GLU 60 N -3.35 -2.56 -3.63 0.38 0.28 -1.26 -4.82 120.64 105.69 1weu n GLU 60 Ca -0.43 0.07 -0.02 0.00 -0.16 0.00 0.00 57.16 56.62 1weu n GLU 60 Cb 0.93 -4.50 -0.05 0.00 1.43 0.00 0.00 31.44 29.26 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 -1.90 -1.20 0.28 -1.84 0.52 -1.26 -2.67 118.94 110.87 1weu s TRP 61 Ca 0.00 2.16 -0.02 0.00 0.02 0.00 0.00 56.10 58.26 1weu s TRP 61 Cb 0.00 0.72 0.01 0.00 -1.15 0.00 0.00 33.47 33.05 1weu s TRP 61 CO 0.00 -0.60 0.41 1.19 0.02 0.00 0.00 176.95 177.97 1weu n PHE 62 N 5.07 -1.31 -3.25 -1.98 3.72 -1.26 -2.47 117.46 115.99 1weu n PHE 62 Ca -0.14 -1.83 -0.11 0.00 -0.05 0.00 0.00 57.45 55.32 1weu n PHE 62 Cb 0.52 0.46 0.02 0.00 -0.94 0.00 0.00 39.48 39.55 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 -0.46 -2.10 -0.12 1.38 8.25 -1.26 -3.94 115.22 116.98 1weu n HIS 63 Ca -0.00 -1.10 -0.25 0.00 -0.26 0.00 0.00 57.72 56.12 1weu n HIS 63 Cb 0.47 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.47 0.67 0.76 4.41 3.01 -1.26 -4.23 117.46 119.34 1weu n PHE 64 Ca 0.05 0.29 -0.02 0.00 1.01 0.00 0.00 57.45 58.78 1weu n PHE 64 Cb 0.30 -1.06 0.03 0.00 -0.01 0.00 0.00 39.48 38.74 1weu n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weu n ALA 65 N -3.71 2.79 0.00 4.37 0.00 -1.26 -1.36 120.51 121.34 1weu n ALA 65 Ca -0.40 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1weu n ALA 65 Cb 0.75 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.98 0.00 0.00 0.00 0.24 -1.17 -4.99 118.33 111.44 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 0.00 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 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 1.02 0.57 2.76 7.63 0.00 -0.47 -5.08 105.19 111.62 1weu n GLY 68 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1weu n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weu s LEU 69 N 0.00 3.06 0.35 0.99 1.43 -0.49 -4.96 118.68 119.06 1weu s LEU 69 Ca 0.00 -2.77 0.04 0.00 -1.03 0.00 0.00 54.13 50.37 1weu s LEU 69 Cb 0.00 -1.16 0.63 0.00 0.03 0.00 0.00 46.19 45.69 1weu s LEU 69 CO 0.00 -0.25 1.94 0.74 0.23 0.00 0.00 176.35 179.01 1weu h THR 70 N 5.24 1.17 -3.42 5.49 2.02 -2.00 -3.42 112.91 117.99 1weu h THR 70 Ca -0.01 -0.55 -0.34 0.00 0.77 0.00 0.00 66.41 66.28 1weu h THR 70 Cb 0.91 0.65 -0.36 0.00 -1.74 0.00 0.00 68.15 67.61 1weu h THR 70 CO 0.53 0.21 -0.74 0.42 0.37 0.00 0.00 175.52 176.31 1weu s THR 71 N -5.29 -0.00 -0.22 3.16 -4.23 -1.26 -5.11 115.64 102.69 1weu s THR 71 Ca -0.09 0.27 -0.42 0.00 -1.18 0.00 0.00 61.69 60.27 1weu s THR 71 Cb 0.16 -0.17 -0.19 0.00 1.34 0.00 0.00 72.50 73.64 1weu s THR 71 CO 0.76 0.14 1.41 1.17 -0.54 0.00 0.00 174.62 177.57 1weu n LYS 72 N 4.65 0.33 0.03 3.99 0.00 -1.26 -4.87 118.16 121.03 1weu n LYS 72 Ca -0.17 0.12 -0.13 0.00 0.00 0.00 0.00 58.31 58.13 1weu n LYS 72 Cb 0.50 -1.67 -0.09 0.00 0.00 0.00 0.00 35.03 33.77 1weu n LYS 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1weu h PRO 73 N 4.60 -0.11 -6.26 1.64 0.13 -1.94 -3.47 132.00 126.59 1weu h PRO 73 Ca -0.47 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 1weu h PRO 73 Cb 1.38 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1weu h PRO 73 CO 0.84 0.34 -0.80 -2.13 -0.23 0.00 0.00 178.00 176.01 1weu n ARG 74 N -4.92 -4.98 0.00 0.86 0.63 -1.26 -4.81 116.66 102.18 1weu n ARG 74 Ca -0.09 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1weu n ARG 74 Cb 0.25 -5.26 0.00 0.00 0.45 0.00 0.00 32.46 27.91 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 -1.67 0.01 2.56 5.14 0.00 -1.26 -5.04 105.19 104.93 1weu n GLY 75 Ca -0.12 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.87 1.61 4.76 -1.26 -4.96 118.16 117.56 1weu n LYS 76 Ca 0.00 -3.91 -0.42 0.00 -2.87 0.00 0.00 58.31 51.11 1weu n LYS 76 Cb 0.00 -1.80 -0.04 0.00 -1.84 0.00 0.00 35.03 31.35 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 -3.16 3.23 -0.15 2.13 -0.00 -1.26 -4.85 118.94 114.87 1weu s TRP 77 Ca 0.39 0.99 -0.03 0.00 -0.00 0.00 0.00 56.10 57.46 1weu s TRP 77 Cb 0.39 -3.26 -0.02 0.00 -0.00 0.00 0.00 33.47 30.58 1weu s TRP 77 CO -0.08 -0.55 -0.06 -0.06 -0.00 0.00 0.00 176.95 176.19 1weu s PHE 78 N 3.05 2.96 0.75 5.86 0.40 -1.26 -1.49 117.98 128.26 1weu s PHE 78 Ca 0.36 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 56.13 1weu s PHE 78 Cb -0.14 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1weu s PHE 78 CO 0.11 -0.09 0.63 0.00 0.70 0.00 0.00 175.22 176.58 1weu n PRO 80 N -1.20 0.49 -0.02 0.00 -0.04 -1.26 -2.01 135.00 130.96 1weu n PRO 80 Ca 0.10 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1weu n PRO 80 Cb 0.50 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.54 0.96 -0.10 0.54 1.74 -1.26 -4.66 116.66 113.34 1weu n ARG 81 Ca 0.01 -0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 1weu n ARG 81 Cb 0.00 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 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 -4.47 0.26 -0.29 0.00 2.88 -1.09 0.03 113.62 110.94 1weu n SER 83 Ca -0.27 1.38 0.16 0.00 -1.33 0.00 0.00 58.87 58.82 1weu n SER 83 Cb 0.58 -0.68 0.31 0.00 -0.75 0.00 0.00 64.21 63.67 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 -4.80 -0.06 0.03 -1.46 7.27 -1.26 -0.40 117.38 116.70 1weu n GLN 84 Ca 0.35 1.26 -0.10 0.00 0.07 0.00 0.00 57.00 58.59 1weu n GLN 84 Cb 1.28 -2.06 -0.07 0.00 2.41 0.00 0.00 30.24 31.80 1weu n GLN 84 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1weu h GLU 85 N 0.00 -0.16 -7.05 3.69 3.07 -0.68 -3.46 114.58 109.98 1weu h GLU 85 Ca 0.57 0.01 -0.43 0.00 -0.50 0.00 0.00 59.36 59.00 1weu h GLU 85 Cb 1.26 0.04 0.22 0.00 -0.84 0.00 0.00 28.75 29.43 1weu h GLU 85 CO -0.77 0.27 -0.17 -1.13 -1.40 0.00 0.00 179.01 175.81 1weu n SER 86 N -4.87 -1.98 -4.09 1.42 3.41 0.47 -4.91 113.62 103.07 1weu n SER 86 Ca -0.07 -0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 57.97 1weu n SER 86 Cb 0.26 -1.21 0.06 0.00 -0.26 0.00 0.00 64.21 63.06 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 1.20 -3.67 0.14 5.00 0.00 -1.26 -4.81 105.19 101.80 1weu n GLY 87 Ca 0.02 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.54 1weu n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1weu n PRO 88 N 1.47 0.21 -1.09 1.61 -0.04 -1.26 -4.82 135.00 131.08 1weu n PRO 88 Ca -0.00 0.44 -0.33 0.00 -0.04 0.00 0.00 63.50 63.56 1weu n PRO 88 Cb 0.61 -1.90 0.13 0.00 -0.04 0.00 0.00 33.50 32.30 1weu n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1weu n SER 89 N -2.29 0.96 -4.52 3.54 3.41 -1.26 -5.04 113.62 108.41 1weu n SER 89 Ca 0.02 0.58 -0.27 0.00 -0.26 0.00 0.00 58.87 58.94 1weu n SER 89 Cb 0.23 -1.50 -0.09 0.00 -0.26 0.00 0.00 64.21 62.58 1weu n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1weu s SER 90 N -2.13 3.36 0.00 4.04 0.01 -1.26 -5.07 113.70 112.66 1weu s SER 90 Ca 0.73 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1weu s SER 90 Cb -0.29 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1weu s SER 90 CO 0.51 -0.69 0.43 0.61 0.41 0.00 0.00 173.24 174.51