#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 -0.12 0.07 1.61 0.15 -1.26 -5.19 113.70 108.96 1weu s SER 2 Ca 0.00 -0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.33 1weu s SER 2 Cb 0.00 0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 1weu s SER 2 CO 0.00 -0.29 1.18 -0.94 1.20 0.00 0.00 173.24 174.39 1weu s SER 3 N -2.52 0.01 0.00 5.45 1.04 -1.26 -5.19 113.70 111.23 1weu s SER 3 Ca 0.11 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1weu s SER 3 Cb 0.01 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1weu s SER 3 CO -0.04 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1weu n GLY 4 N -0.82 1.66 3.61 7.32 0.00 -1.26 -5.19 105.19 110.51 1weu n GLY 4 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.12 0.04 1.61 0.15 -1.26 -5.19 113.70 108.93 1weu s SER 5 Ca 0.00 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.30 1weu s SER 5 Cb 0.00 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 1weu s SER 5 CO 0.00 -0.33 1.21 -0.44 1.20 0.00 0.00 173.24 174.88 1weu s SER 6 N -2.56 -0.01 0.17 5.45 0.01 -1.26 -5.20 113.70 110.31 1weu s SER 6 Ca 0.11 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.92 1weu s SER 6 Cb 0.01 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1weu s SER 6 CO -0.04 -0.50 0.59 0.61 0.41 0.00 0.00 173.24 174.30 1weu n GLY 7 N -0.79 1.06 3.38 3.44 0.00 -1.26 -5.17 105.19 105.85 1weu n GLY 7 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.93 1weu n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 8 N -2.44 -0.35 1.14 1.61 1.04 -1.26 -5.18 113.70 108.26 1weu s SER 8 Ca 0.13 0.50 -0.12 0.00 0.48 0.00 0.00 55.95 56.93 1weu s SER 8 Cb -0.02 1.36 0.17 0.00 0.10 0.00 0.00 66.02 67.63 1weu s SER 8 CO 0.05 -0.07 0.62 -0.81 0.98 0.00 0.00 173.24 174.01 1weu n PRO 9 N 4.53 -2.23 -3.94 4.02 -0.04 -1.26 -5.10 135.00 130.97 1weu n PRO 9 Ca -0.10 -1.00 -0.11 0.00 -0.04 0.00 0.00 63.50 62.25 1weu n PRO 9 Cb 0.54 -0.93 -0.01 0.00 -0.04 0.00 0.00 33.50 33.06 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 -4.41 2.01 0.14 0.54 2.02 -1.26 -5.19 118.70 112.55 1weu s GLU 10 Ca 0.40 -1.52 -0.25 0.00 0.02 0.00 0.00 54.97 53.63 1weu s GLU 10 Cb -0.04 0.54 0.07 0.00 0.10 0.00 0.00 34.13 34.80 1weu s GLU 10 CO 0.31 -0.89 1.03 0.71 0.02 0.00 0.00 175.26 176.44 1weu s TYR 11 N -2.88 -0.05 0.11 1.61 2.02 -1.26 -5.19 117.35 111.71 1weu s TYR 11 Ca 0.22 -0.27 -0.26 0.00 -0.37 0.00 0.00 57.07 56.39 1weu s TYR 11 Cb -0.03 0.65 0.08 0.00 -0.40 0.00 0.00 41.96 42.27 1weu s TYR 11 CO 0.14 -0.80 1.09 0.20 -1.57 0.00 0.00 175.55 174.62 1weu s GLY 12 N -3.12 -0.20 -0.08 0.71 0.00 -1.26 -5.18 107.32 98.20 1weu s GLY 12 Ca 0.16 0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 1weu s GLY 12 CO 0.03 0.91 0.21 1.06 0.00 0.00 0.00 173.10 175.31 1weu s MET 13 N -2.72 0.26 0.93 2.90 -1.94 -1.26 -5.17 119.30 112.30 1weu s MET 13 Ca 0.16 0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 54.24 1weu s MET 13 Cb 0.00 0.13 0.23 0.00 2.01 0.00 0.00 34.83 37.20 1weu s MET 13 CO 0.01 -0.03 0.83 -0.35 -0.01 0.00 0.00 175.02 175.46 1weu n PRO 14 N 2.89 -2.63 -4.37 2.03 -0.04 -1.26 -5.10 135.00 126.53 1weu n PRO 14 Ca -0.13 -1.32 -0.19 0.00 -0.04 0.00 0.00 63.50 61.82 1weu n PRO 14 Cb 0.58 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 -3.73 1.90 0.43 3.54 1.04 -1.26 -5.17 113.70 110.45 1weu s SER 15 Ca 0.54 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.71 1weu s SER 15 Cb -0.05 0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 1weu s SER 15 CO 0.41 -0.59 0.04 0.68 0.98 0.00 0.00 173.24 174.77 1weu s VAL 16 N -3.44 1.90 0.01 5.02 -7.23 -1.26 -5.16 120.40 110.24 1weu s VAL 16 Ca 0.33 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1weu s VAL 16 Cb 0.07 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1weu s VAL 16 CO 0.12 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.94 1weu s THR 17 N -2.72 0.63 0.38 5.32 2.01 -1.26 -5.16 115.64 114.85 1weu s THR 17 Ca 0.31 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1weu s THR 17 Cb 0.07 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1weu s THR 17 CO 0.16 0.05 0.10 -0.36 -0.69 0.00 0.00 174.62 173.88 1weu s PHE 18 N -0.46 1.84 0.00 4.92 0.08 -1.26 -5.17 117.98 117.93 1weu s PHE 18 Ca 0.00 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.90 1weu s PHE 18 Cb -0.05 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 1weu s PHE 18 CO 0.00 -0.17 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 1weu n GLY 19 N -0.84 0.86 3.40 4.36 0.00 -1.26 -5.19 105.19 106.52 1weu n GLY 19 Ca -0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1weu n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 20 N 0.00 -0.38 -0.26 1.61 1.04 -1.26 -5.15 113.70 109.30 1weu s SER 20 Ca 0.00 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.12 1weu s SER 20 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1weu s SER 20 CO 0.00 -0.95 0.14 0.54 0.98 0.00 0.00 173.24 173.95 1weu s VAL 21 N -3.79 4.93 0.55 5.02 0.11 -1.26 -5.07 120.40 120.89 1weu s VAL 21 Ca 0.03 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1weu s VAL 21 Cb 0.00 -3.32 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 1weu s VAL 21 CO -0.11 0.31 1.37 -1.00 -3.33 0.00 0.00 175.10 172.34 1weu s HIS 22 N 1.53 2.24 0.37 1.54 3.76 -1.26 -4.95 115.29 118.52 1weu s HIS 22 Ca 0.07 1.36 -0.26 0.00 -0.15 0.00 0.00 55.06 56.07 1weu s HIS 22 Cb -0.15 -3.83 -0.09 0.00 1.11 0.00 0.00 32.58 29.62 1weu s HIS 22 CO 0.07 -3.00 1.20 -1.25 -0.85 0.00 0.00 174.74 170.91 1weu s PRO 23 N -2.93 4.17 1.01 8.40 0.04 -1.26 -4.99 135.00 139.44 1weu s PRO 23 Ca 0.72 1.94 -0.15 0.00 0.04 0.00 0.00 61.00 63.55 1weu s PRO 23 Cb -0.41 -2.82 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1weu s PRO 23 CO 0.48 -0.25 0.25 -1.13 0.04 0.00 0.00 177.00 176.40 1weu n SER 24 N 0.35 -2.24 -3.60 6.66 3.41 -1.26 -5.03 113.62 111.91 1weu n SER 24 Ca 0.03 0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1weu n SER 24 Cb 0.45 -1.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.16 1weu n SER 24 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1weu s ASP 25 N -1.94 0.45 -0.08 4.04 -4.77 -1.26 -5.13 116.67 107.97 1weu s ASP 25 Ca 0.56 0.46 -0.02 0.00 -3.30 0.00 0.00 52.55 50.26 1weu s ASP 25 Cb -0.18 0.76 0.03 0.00 -1.09 0.00 0.00 42.92 42.44 1weu s ASP 25 CO 0.67 -0.26 0.01 0.54 0.70 0.00 0.00 175.17 176.84 1weu s VAL 26 N 2.44 0.32 0.43 2.11 0.11 -1.26 -5.15 120.40 119.40 1weu s VAL 26 Ca 0.03 0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1weu s VAL 26 Cb -0.13 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1weu s VAL 26 CO -0.10 0.20 0.21 -0.76 -3.33 0.00 0.00 175.10 171.33 1weu s LEU 27 N 1.99 3.07 -0.14 2.54 1.02 -1.26 -5.13 118.68 120.77 1weu s LEU 27 Ca 0.05 -1.08 -0.00 0.00 0.02 0.00 0.00 54.13 53.11 1weu s LEU 27 Cb -0.13 -1.45 0.03 0.00 0.02 0.00 0.00 46.19 44.67 1weu s LEU 27 CO -0.05 -0.62 -0.07 1.51 0.02 0.00 0.00 176.35 177.13 1weu s ASP 28 N -3.96 2.59 -0.08 2.29 -4.77 -1.26 -5.09 116.67 106.38 1weu s ASP 28 Ca 0.40 -0.51 -0.40 0.00 -3.30 0.00 0.00 52.55 48.74 1weu s ASP 28 Cb 0.03 -0.93 -0.19 0.00 -1.09 0.00 0.00 42.92 40.74 1weu s ASP 28 CO 0.22 -0.14 1.12 0.23 0.70 0.00 0.00 175.17 177.30 1weu n MET 29 N 4.88 0.00 -2.13 2.11 2.81 -1.26 -4.80 117.12 118.74 1weu n MET 29 Ca -0.13 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.34 1weu n MET 29 Cb 0.49 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.48 3.92 0.36 0.03 0.04 -1.26 -4.97 135.00 133.60 1weu s PRO 30 Ca 0.90 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 1weu s PRO 30 Cb -1.27 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 29.17 1weu s PRO 30 CO 0.59 -1.14 1.49 0.54 0.04 0.00 0.00 177.00 178.52 1weu s VAL 31 N 4.78 2.12 0.12 -0.36 0.11 -1.26 -5.01 120.40 120.90 1weu s VAL 31 Ca 0.70 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.90 1weu s VAL 31 Cb -0.26 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 1weu s VAL 31 CO 0.28 0.03 0.16 -1.81 -3.33 0.00 0.00 175.10 170.42 1weu s ASP 32 N -0.06 5.81 -0.02 3.54 1.01 -1.26 -5.05 116.67 120.65 1weu s ASP 32 Ca 0.54 0.03 -0.26 0.00 0.71 0.00 0.00 52.55 53.58 1weu s ASP 32 Cb -0.46 -1.63 -0.20 0.00 1.01 0.00 0.00 42.92 41.64 1weu s ASP 32 CO 0.59 0.12 1.26 1.55 0.21 0.00 0.00 175.17 178.90 1weu h PRO 33 N 2.76 -0.02 -4.77 8.23 0.13 -2.07 -3.47 132.00 132.80 1weu h PRO 33 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1weu h PRO 33 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1weu h PRO 33 CO 0.67 0.47 -0.55 0.09 -0.23 0.00 0.00 178.00 178.44 1weu n ASN 34 N -4.86 -4.87 -4.82 1.44 4.13 -1.26 -4.94 115.26 100.07 1weu n ASN 34 Ca -0.08 -0.27 -0.33 0.00 1.68 0.00 0.00 54.58 55.58 1weu n ASN 34 Cb 0.25 -3.99 -0.03 0.00 -1.54 0.00 0.00 39.78 34.47 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1weu s GLU 35 N -5.74 3.86 0.46 3.52 2.02 -1.26 -5.03 118.70 116.53 1weu s GLU 35 Ca 0.30 1.14 -0.23 0.00 0.02 0.00 0.00 54.97 56.20 1weu s GLU 35 Cb -0.15 -2.12 -0.07 0.00 0.10 0.00 0.00 34.13 31.89 1weu s GLU 35 CO 0.37 -0.35 1.16 -1.25 0.02 0.00 0.00 175.26 175.21 1weu s PRO 36 N -3.66 3.76 -0.01 0.39 0.04 -1.26 -4.66 135.00 129.60 1weu s PRO 36 Ca 0.63 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 1weu s PRO 36 Cb -0.12 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1weu s PRO 36 CO 0.25 -0.55 0.10 0.95 0.04 0.00 0.00 177.00 177.79 1weu s THR 37 N -1.55 4.85 0.15 1.26 -4.23 -1.26 -2.90 115.64 111.96 1weu s THR 37 Ca 0.64 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1weu s THR 37 Cb -0.28 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1weu s THR 37 CO 0.34 0.35 0.00 -1.22 -0.54 0.00 0.00 174.62 173.55 1weu n TYR 38 N 1.16 -0.71 -0.97 3.99 4.02 -1.19 -4.87 117.16 118.59 1weu n TYR 38 Ca -0.13 0.12 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1weu n TYR 38 Cb 0.53 0.17 0.03 0.00 -0.02 0.00 0.00 39.34 40.05 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 -0.78 0.88 -0.43 0.00 4.07 -1.97 0.19 115.31 117.27 1weu h LEU 40 Ca -0.40 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1weu h LEU 40 Cb 1.23 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1weu h LEU 40 CO 0.24 0.53 0.00 0.00 -1.08 0.00 0.00 178.44 178.13 1weu n HIS 42 N -1.74 -1.92 -4.36 0.00 8.25 0.67 -5.03 115.22 111.09 1weu n HIS 42 Ca -0.00 0.76 -0.24 0.00 -0.26 0.00 0.00 57.72 57.99 1weu n HIS 42 Cb 0.03 -4.33 -0.08 0.00 1.12 0.00 0.00 29.99 26.73 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 -4.79 2.07 0.02 -0.41 -0.21 -1.26 -4.85 119.66 110.24 1weu s GLN 43 Ca 0.14 -1.53 -0.30 0.00 0.02 0.00 0.00 55.36 53.69 1weu s GLN 43 Cb -0.02 -2.03 -0.09 0.00 1.00 0.00 0.00 33.01 31.88 1weu s GLN 43 CO 0.62 0.36 1.96 0.14 -2.12 0.00 0.00 175.29 176.24 1weu s VAL 44 N -2.35 3.05 -0.19 1.09 -7.23 -1.26 -3.18 120.40 110.32 1weu s VAL 44 Ca 0.31 0.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.24 1weu s VAL 44 Cb -0.06 -3.04 -0.07 0.00 0.56 0.00 0.00 36.38 33.77 1weu s VAL 44 CO 0.18 -0.01 2.17 -1.54 -0.31 0.00 0.00 175.10 175.60 1weu n SER 45 N 7.68 3.26 -0.03 4.85 3.41 -1.14 -4.87 113.62 126.78 1weu n SER 45 Ca 0.20 0.36 -0.01 0.00 -0.26 0.00 0.00 58.87 59.16 1weu n SER 45 Cb 0.41 -1.51 -0.00 0.00 -0.26 0.00 0.00 64.21 62.85 1weu n SER 45 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1weu h TYR 46 N 13.90 0.00 0.00 7.33 0.05 -1.94 -3.50 116.97 132.81 1weu h TYR 46 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1weu h TYR 46 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1weu h TYR 46 CO 0.94 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.46 1weu n GLY 47 N 1.81 0.09 2.42 3.88 0.00 -1.26 -5.02 105.19 107.10 1weu n GLY 47 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.87 -4.31 1.61 1.02 -1.26 -4.86 120.64 115.72 1weu n GLU 48 Ca 0.00 -1.78 -0.25 0.00 -0.02 0.00 0.00 57.16 55.11 1weu n GLU 48 Cb 0.00 -2.58 -0.08 0.00 -0.02 0.00 0.00 31.44 28.75 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 2.62 2.12 0.00 3.49 -1.94 -1.26 -2.62 119.30 121.71 1weu s MET 49 Ca 0.56 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1weu s MET 49 Cb 0.15 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 35.06 1weu s MET 49 CO -0.04 0.08 0.00 0.44 -0.01 0.00 0.00 175.02 175.48 1weu n ILE 50 N -1.02 0.00 -0.52 2.53 -0.00 -1.23 -4.80 119.36 114.33 1weu n ILE 50 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 1weu n ILE 50 Cb 0.63 -0.75 0.00 0.00 -0.00 0.00 0.00 39.64 39.52 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 2.54 -3.77 3.73 3.28 0.00 -1.26 -4.86 105.19 104.85 1weu n GLY 51 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 5.85 0.07 -2.35 0.00 1.82 -1.87 -3.43 116.42 116.52 1weu h ASP 53 Ca -0.43 -0.02 -0.54 0.00 -0.39 0.00 0.00 57.03 55.64 1weu h ASP 53 Cb 1.21 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 41.21 1weu h ASP 53 CO 0.77 0.36 1.26 0.21 -1.61 0.00 0.00 179.24 180.23 1weu s ASN 54 N -6.93 6.30 0.48 2.28 2.47 -1.26 -4.85 114.94 113.43 1weu s ASN 54 Ca -0.04 2.46 0.32 0.00 0.42 0.00 0.00 52.86 56.02 1weu s ASN 54 Cb 0.15 -2.53 1.31 0.00 -1.45 0.00 0.00 41.25 38.73 1weu s ASN 54 CO 0.73 -1.20 1.93 1.55 -3.72 0.00 0.00 177.10 176.39 1weu h PRO 55 N 11.24 0.00 0.16 0.43 0.13 -2.04 -2.94 132.00 138.99 1weu h PRO 55 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 1weu h PRO 55 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1weu h PRO 55 CO 0.95 0.00 -1.38 0.22 -0.23 0.00 0.00 178.00 177.56 1weu h ASP 56 N 0.00 0.53 -1.33 1.44 1.82 -1.96 -3.46 116.42 113.47 1weu h ASP 56 Ca 0.00 -0.61 -0.74 0.00 -0.39 0.00 0.00 57.03 55.30 1weu h ASP 56 Cb 0.46 -0.17 0.05 0.00 0.68 0.00 0.00 39.33 40.34 1weu h ASP 56 CO 0.00 1.48 0.27 0.00 -1.61 0.00 0.00 179.24 179.38 1weu h SER 58 N 3.83 0.19 0.26 0.00 0.87 -1.89 -3.37 113.55 113.43 1weu h SER 58 Ca -0.49 -0.74 -0.01 0.00 -1.23 0.00 0.00 61.79 59.32 1weu h SER 58 Cb 1.38 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1weu h SER 58 CO 0.72 0.89 -0.13 0.40 -0.53 0.00 0.00 176.83 178.19 1weu h ILE 59 N -0.51 0.30 -6.89 2.23 2.04 -1.93 -3.47 117.51 109.30 1weu h ILE 59 Ca -0.02 -0.86 -0.57 0.00 1.00 0.00 0.00 64.86 64.41 1weu h ILE 59 Cb 0.91 0.52 -0.29 0.00 -0.74 0.00 0.00 36.82 37.22 1weu h ILE 59 CO 0.04 0.08 -0.84 -1.84 0.00 0.00 0.00 178.15 175.59 1weu n GLU 60 N -5.01 -1.98 -3.62 2.37 0.28 -1.26 -4.89 120.64 106.53 1weu n GLU 60 Ca -0.06 0.25 -0.04 0.00 -0.16 0.00 0.00 57.16 57.16 1weu n GLU 60 Cb 0.20 -4.91 -0.06 0.00 1.43 0.00 0.00 31.44 28.11 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 -3.22 -0.97 0.26 -1.84 0.52 -1.26 -2.62 118.94 109.80 1weu s TRP 61 Ca 0.77 1.85 -0.18 0.00 0.02 0.00 0.00 56.10 58.56 1weu s TRP 61 Cb -0.43 0.58 0.01 0.00 -1.15 0.00 0.00 33.47 32.48 1weu s TRP 61 CO 0.94 -0.48 0.61 -0.06 0.02 0.00 0.00 176.95 177.97 1weu s PHE 62 N 1.95 0.02 0.63 -1.98 0.08 -1.26 -2.87 117.98 114.55 1weu s PHE 62 Ca -0.08 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.58 1weu s PHE 62 Cb -0.06 0.48 0.10 0.00 -0.57 0.00 0.00 43.02 42.96 1weu s PHE 62 CO -0.18 -1.11 0.87 -1.01 -0.10 0.00 0.00 175.22 173.69 1weu s HIS 63 N -3.95 1.73 -0.10 0.36 3.76 -1.26 -3.55 115.29 112.28 1weu s HIS 63 Ca 0.15 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.56 1weu s HIS 63 Cb -0.03 -2.65 -0.28 0.00 1.11 0.00 0.00 32.58 30.73 1weu s HIS 63 CO 0.07 -1.34 0.47 0.74 -0.85 0.00 0.00 174.74 173.82 1weu h PHE 64 N -0.13 0.55 0.00 1.40 0.04 -1.77 -3.32 116.94 113.70 1weu h PHE 64 Ca -0.35 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.02 1weu h PHE 64 Cb 1.28 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1weu h PHE 64 CO 0.12 1.74 0.00 0.00 -0.60 0.00 0.00 178.31 179.58 1weu n ALA 65 N -2.95 2.46 -0.01 2.45 0.00 -1.26 0.35 120.51 121.55 1weu n ALA 65 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 1weu n ALA 65 Cb 1.06 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.90 0.00 0.00 0.00 0.24 -1.16 -5.03 118.33 110.48 1weu n VAL 67 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1weu n VAL 67 Cb 0.39 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 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 2.16 0.74 2.33 7.63 0.00 0.16 -5.10 105.19 113.11 1weu n GLY 68 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 0.88 -0.16 0.99 4.77 -0.91 -5.00 117.00 117.57 1weu n LEU 69 Ca 0.00 -4.79 -0.04 0.00 -0.03 0.00 0.00 56.01 51.15 1weu n LEU 69 Cb 0.00 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1weu n LEU 69 CO 0.00 1.99 0.19 0.41 -1.33 0.00 0.00 177.39 178.65 1weu n THR 70 N 1.68 -0.25 -4.15 -5.08 -1.04 -1.26 -4.42 114.28 99.76 1weu n THR 70 Ca 0.25 0.93 -0.13 0.00 -2.04 0.00 0.00 64.05 63.05 1weu n THR 70 Cb 0.48 -1.16 -0.11 0.00 -1.82 0.00 0.00 70.33 67.73 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 -5.22 0.80 -0.36 12.58 -4.23 -1.26 -5.03 115.64 112.92 1weu s THR 71 Ca -0.05 -1.61 -0.33 0.00 -1.18 0.00 0.00 61.69 58.52 1weu s THR 71 Cb 0.05 -1.30 -0.11 0.00 1.34 0.00 0.00 72.50 72.48 1weu s THR 71 CO 0.24 -0.61 2.23 1.17 -0.54 0.00 0.00 174.62 177.11 1weu n LYS 72 N 0.57 1.16 0.14 3.99 4.81 -1.26 -4.82 118.16 122.76 1weu n LYS 72 Ca -0.16 0.30 -0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1weu n LYS 72 Cb 0.58 -2.61 0.25 0.00 0.02 0.00 0.00 35.03 33.27 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 13.26 0.07 -5.96 1.64 0.13 -1.93 -3.46 132.00 135.75 1weu h PRO 73 Ca -0.28 -0.04 -0.44 0.00 -0.87 0.00 0.00 66.00 64.37 1weu h PRO 73 Cb 1.31 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.16 1weu h PRO 73 CO 1.03 0.54 -0.64 2.89 -0.23 0.00 0.00 178.00 181.59 1weu n ARG 74 N -3.97 -0.83 -2.96 0.86 1.85 -1.26 -4.77 116.66 105.58 1weu n ARG 74 Ca -0.02 0.10 -0.19 0.00 -1.00 0.00 0.00 57.85 56.75 1weu n ARG 74 Cb 0.51 -3.37 -0.02 0.00 -1.05 0.00 0.00 32.46 28.53 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 -0.89 3.76 2.85 2.89 0.00 -1.26 -4.94 105.19 107.61 1weu n GLY 75 Ca 0.08 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 0.03 -4.71 -2.94 1.61 4.76 -1.26 -4.97 118.16 110.68 1weu n LYS 76 Ca 0.24 0.65 -0.41 0.00 -2.87 0.00 0.00 58.31 55.92 1weu n LYS 76 Cb 0.64 -5.05 -0.05 0.00 -1.84 0.00 0.00 35.03 28.74 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 3.34 -0.14 2.13 -0.00 -1.26 -4.96 118.94 114.77 1weu s TRP 77 Ca 0.04 1.10 -0.05 0.00 -0.00 0.00 0.00 56.10 57.19 1weu s TRP 77 Cb -0.00 -2.99 -0.03 0.00 -0.00 0.00 0.00 33.47 30.44 1weu s TRP 77 CO 0.56 -0.33 0.01 -0.06 -0.00 0.00 0.00 176.95 177.13 1weu s PHE 78 N 2.54 3.16 0.81 5.86 0.40 -1.26 -2.71 117.98 126.78 1weu s PHE 78 Ca 0.34 0.00 -0.14 0.00 -0.60 0.00 0.00 56.93 56.53 1weu s PHE 78 Cb -0.16 -1.95 0.05 0.00 0.51 0.00 0.00 43.02 41.47 1weu s PHE 78 CO 0.09 0.20 0.94 0.00 0.70 0.00 0.00 175.22 177.15 1weu n PRO 80 N -2.51 0.49 -0.04 0.00 -0.04 -1.26 -2.11 135.00 129.53 1weu n PRO 80 Ca 0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1weu n PRO 80 Cb 0.51 -1.17 -0.11 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.67 1.22 -0.11 0.54 1.74 -1.26 -4.65 116.66 113.46 1weu n ARG 81 Ca 0.04 -0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 1weu n ARG 81 Cb 0.02 -1.34 -0.10 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 -4.41 0.20 -0.00 0.00 2.88 -0.99 0.22 113.62 111.51 1weu n SER 83 Ca -0.34 1.09 -0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1weu n SER 83 Cb 0.68 -0.54 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1weu n SER 83 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1weu h GLN 84 N 0.00 0.10 -6.36 -1.46 1.08 -1.83 -3.38 115.11 103.26 1weu h GLN 84 Ca 0.62 -0.02 -0.55 0.00 -1.45 0.00 0.00 58.65 57.25 1weu h GLN 84 Cb 1.85 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 29.18 1weu h GLN 84 CO -0.44 0.23 0.98 -1.21 -0.95 0.00 0.00 178.83 177.44 1weu s GLU 85 N -5.57 3.30 -0.17 1.46 2.02 0.59 -4.84 118.70 115.48 1weu s GLU 85 Ca -0.14 -0.11 -0.16 0.00 0.02 0.00 0.00 54.97 54.58 1weu s GLU 85 Cb 0.06 -4.12 -0.22 0.00 0.10 0.00 0.00 34.13 29.94 1weu s GLU 85 CO 0.68 -1.95 0.29 0.66 0.02 0.00 0.00 175.26 174.96 1weu h SER 86 N 9.81 0.16 -5.00 -0.19 4.64 -1.76 -3.47 113.55 117.74 1weu h SER 86 Ca -0.27 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 1weu h SER 86 Cb 1.05 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1weu h SER 86 CO 1.24 1.62 0.00 0.61 -0.87 0.00 0.00 176.83 179.43 1weu n GLY 87 N 1.63 2.85 1.95 -0.77 0.00 -1.26 -5.10 105.19 104.49 1weu n GLY 87 Ca -0.32 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 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 0.32 -2.21 -0.93 1.61 -0.04 -1.26 -4.86 135.00 127.63 1weu n PRO 88 Ca 0.00 -0.97 -0.11 0.00 -0.04 0.00 0.00 63.50 62.38 1weu n PRO 88 Cb 0.00 -0.91 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1weu n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1weu n SER 89 N -4.05 5.50 -4.54 3.54 2.88 -1.26 -4.89 113.62 110.80 1weu n SER 89 Ca 0.08 -2.59 -0.25 0.00 -1.33 0.00 0.00 58.87 54.78 1weu n SER 89 Cb 0.33 -1.30 0.13 0.00 -0.75 0.00 0.00 64.21 62.62 1weu n SER 89 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1weu s SER 90 N 1.68 4.03 0.00 -3.46 1.04 -1.26 -5.37 113.70 110.36 1weu s SER 90 Ca 0.47 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1weu s SER 90 Cb 0.24 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1weu s SER 90 CO -0.03 -2.09 0.00 0.61 0.98 0.00 0.00 173.24 172.71