#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 s SER 2 N 0.00 5.30 -0.05 1.61 1.04 -1.26 -5.09 113.70 115.24 1x45 s SER 2 Ca 0.00 0.92 -0.02 0.00 0.48 0.00 0.00 55.95 57.33 1x45 s SER 2 Cb 0.00 -1.71 0.04 0.00 0.10 0.00 0.00 66.02 64.45 1x45 s SER 2 CO 0.00 -1.37 0.10 -0.94 0.98 0.00 0.00 173.24 172.01 1x45 s SER 3 N -4.39 0.13 0.00 7.02 1.04 -1.26 -5.09 113.70 111.15 1x45 s SER 3 Ca 0.58 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1x45 s SER 3 Cb -0.11 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1x45 s SER 3 CO 0.49 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1x45 n GLY 4 N 4.40 1.49 3.75 7.32 0.00 -1.26 -5.11 105.19 115.77 1x45 n GLY 4 Ca -0.23 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1x45 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 5 N 1.78 4.05 -1.43 1.61 0.01 -1.26 -3.74 113.70 114.72 1x45 s SER 5 Ca 0.00 1.63 -0.07 0.00 1.31 0.00 0.00 55.95 58.82 1x45 s SER 5 Cb 0.00 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1x45 s SER 5 CO 0.00 -2.30 0.93 -1.20 0.41 0.00 0.00 173.24 171.08 1x45 n SER 6 N -3.67 -6.25 -0.79 2.44 7.64 -1.23 -4.93 113.62 106.82 1x45 n SER 6 Ca 0.08 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1x45 n SER 6 Cb 0.54 -4.96 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1x45 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 7 N -1.79 1.72 3.67 0.23 0.00 -0.50 -4.86 105.19 103.66 1x45 n GLY 7 Ca -0.04 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.61 1x45 n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x45 n ASP 8 N -0.57 3.00 -4.30 1.61 5.75 -1.26 -2.41 116.55 118.37 1x45 n ASP 8 Ca 0.00 1.09 -0.27 0.00 -0.01 0.00 0.00 54.79 55.60 1x45 n ASP 8 Cb 0.00 -1.41 -0.14 0.00 -1.03 0.00 0.00 41.12 38.54 1x45 n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1x45 s VAL 9 N 0.82 1.86 -0.22 2.12 1.01 0.24 -4.86 120.40 121.37 1x45 s VAL 9 Ca 0.78 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1x45 s VAL 9 Cb -0.69 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1x45 s VAL 9 CO 0.39 0.17 -0.02 -0.36 0.00 0.00 0.00 175.10 175.28 1x45 s PHE 10 N -0.91 1.89 -0.44 5.22 0.40 -1.26 -0.27 117.98 122.62 1x45 s PHE 10 Ca 0.09 -1.42 -0.21 0.00 -0.60 0.00 0.00 56.93 54.78 1x45 s PHE 10 Cb -0.09 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.08 1x45 s PHE 10 CO 0.03 -0.71 0.67 0.42 0.70 0.00 0.00 175.22 176.32 1x45 s ILE 11 N 1.56 4.80 -0.46 0.64 -1.09 -0.28 -4.92 121.20 121.45 1x45 s ILE 11 Ca -0.04 0.17 -0.22 0.00 -2.23 0.00 0.00 60.65 58.33 1x45 s ILE 11 Cb -0.18 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.50 1x45 s ILE 11 CO -0.07 -0.62 0.76 -1.61 -1.23 0.00 0.00 174.94 172.17 1x45 s GLU 12 N 2.90 3.36 0.21 2.79 2.02 -1.26 -2.54 118.70 126.17 1x45 s GLU 12 Ca 0.24 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.05 1x45 s GLU 12 Cb -0.14 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 1x45 s GLU 12 CO 0.20 -1.13 0.13 0.36 0.02 0.00 0.00 175.26 174.84 1x45 n LYS 13 N 6.65 0.43 -4.16 1.61 2.85 -0.66 -4.91 118.16 119.95 1x45 n LYS 13 Ca 0.01 -1.96 -0.32 0.00 -1.05 0.00 0.00 58.31 54.99 1x45 n LYS 13 Cb 0.48 1.39 -0.08 0.00 -0.65 0.00 0.00 35.03 36.18 1x45 n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x45 s GLN 14 N -2.83 2.89 0.52 -1.58 -0.21 -1.26 -4.36 119.66 112.82 1x45 s GLN 14 Ca 0.19 -0.59 -0.21 0.00 0.02 0.00 0.00 55.36 54.76 1x45 s GLN 14 Cb 0.01 -2.74 -0.06 0.00 1.00 0.00 0.00 33.01 31.22 1x45 s GLN 14 CO 0.13 0.62 1.22 0.15 -2.12 0.00 0.00 175.29 175.29 1x45 s LYS 15 N -1.81 3.40 0.00 2.91 1.02 -1.26 -3.21 119.74 120.79 1x45 s LYS 15 Ca 0.23 1.88 0.00 0.00 0.02 0.00 0.00 55.97 58.10 1x45 s LYS 15 Cb -0.12 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1x45 s LYS 15 CO 0.14 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1x45 n GLY 16 N 0.50 3.06 3.96 -3.33 0.00 0.17 -4.99 105.19 104.56 1x45 n GLY 16 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1x45 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x45 s GLU 17 N -0.13 3.07 0.64 1.61 -1.05 -1.20 -4.94 118.70 116.70 1x45 s GLU 17 Ca 0.00 -1.04 -0.03 0.00 -0.15 0.00 0.00 54.97 53.75 1x45 s GLU 17 Cb 0.00 -2.76 0.06 0.00 -0.44 0.00 0.00 34.13 30.99 1x45 s GLU 17 CO 0.00 0.10 0.91 0.96 0.95 0.00 0.00 175.26 178.18 1x45 s ILE 18 N -2.18 2.44 -2.00 1.83 -4.36 -1.26 -4.15 121.20 111.52 1x45 s ILE 18 Ca 0.43 -0.47 0.16 0.00 -0.26 0.00 0.00 60.65 60.51 1x45 s ILE 18 Cb -0.09 -2.97 0.46 0.00 1.25 0.00 0.00 42.46 41.12 1x45 s ILE 18 CO 0.30 0.00 1.39 -0.11 0.24 0.00 0.00 174.94 176.76 1x45 n LEU 19 N -2.66 0.00 -4.18 0.37 7.94 -1.26 -4.64 117.00 112.57 1x45 n LEU 19 Ca 0.09 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.57 1x45 n LEU 19 Cb 0.60 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 1x45 n LEU 19 CO 0.48 0.00 -0.29 0.61 -1.11 0.00 0.00 177.39 177.08 1x45 n GLY 20 N 0.14 -0.55 3.29 -3.96 0.00 -1.26 -3.05 105.19 99.80 1x45 n GLY 20 Ca 0.12 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 1x45 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x45 s VAL 21 N -3.86 0.03 -0.01 1.61 0.11 -1.26 -2.17 120.40 114.85 1x45 s VAL 21 Ca 0.31 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1x45 s VAL 21 Cb -0.17 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1x45 s VAL 21 CO 0.99 -0.15 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.84 1x45 s VAL 22 N -0.86 3.65 0.13 2.04 1.01 0.74 -4.97 120.40 122.15 1x45 s VAL 22 Ca -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1x45 s VAL 22 Cb -0.04 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1x45 s VAL 22 CO 0.04 0.44 -0.12 0.27 0.00 0.00 0.00 175.10 175.73 1x45 s ILE 23 N -0.95 1.18 0.32 2.22 -4.36 -1.26 0.11 121.20 118.46 1x45 s ILE 23 Ca 0.16 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1x45 s ILE 23 Cb -0.11 -1.59 -0.00 0.00 1.25 0.00 0.00 42.46 42.01 1x45 s ILE 23 CO 0.06 -0.56 0.40 1.33 0.24 0.00 0.00 174.94 176.41 1x45 n VAL 24 N 0.30 0.00 -1.67 8.37 0.24 0.15 -4.69 118.33 121.03 1x45 n VAL 24 Ca -0.14 -1.83 -0.44 0.00 -2.04 0.00 0.00 64.34 59.89 1x45 n VAL 24 Cb 0.58 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.98 1x45 n VAL 24 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1x45 n GLU 25 N -0.55 2.06 -0.52 7.34 1.02 -1.26 -0.96 120.64 127.78 1x45 n GLU 25 Ca 0.03 0.73 -0.10 0.00 -0.02 0.00 0.00 57.16 57.80 1x45 n GLU 25 Cb 0.55 -2.39 0.07 0.00 -0.02 0.00 0.00 31.44 29.65 1x45 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x45 n SER 26 N 2.07 3.44 -2.13 1.62 2.88 -1.26 -4.43 113.62 115.81 1x45 n SER 26 Ca 0.11 -2.67 -0.01 0.00 -1.33 0.00 0.00 58.87 54.96 1x45 n SER 26 Cb 0.32 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 63.11 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 27 N -0.15 -5.07 0.00 0.46 0.00 -1.26 -4.46 105.19 94.71 1x45 n GLY 27 Ca 0.25 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.62 1x45 n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x45 n TRP 28 N 1.39 0.00 0.00 1.61 7.02 -1.26 -1.51 117.44 124.69 1x45 n TRP 28 Ca -0.09 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.34 1x45 n TRP 28 Cb 0.14 -0.36 -0.12 0.00 -2.42 0.00 0.00 31.31 28.56 1x45 n TRP 28 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1x45 n GLY 29 N -0.89 -1.08 1.66 6.99 0.00 -1.26 -4.90 105.19 105.70 1x45 n GLY 29 Ca 0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1x45 n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x45 n SER 30 N -2.98 -3.00 0.18 1.61 7.64 -0.57 -4.97 113.62 111.53 1x45 n SER 30 Ca -0.14 -0.49 -0.09 0.00 1.01 0.00 0.00 58.87 59.16 1x45 n SER 30 Cb 0.96 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1x45 n SER 30 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1x45 h ILE 31 N -2.79 0.07 -3.44 0.44 5.03 -1.90 -3.41 117.51 111.51 1x45 h ILE 31 Ca -0.21 -0.63 -0.66 0.00 -0.12 0.00 0.00 64.86 63.24 1x45 h ILE 31 Cb 0.69 0.12 -0.39 0.00 -3.03 0.00 0.00 36.82 34.21 1x45 h ILE 31 CO 0.12 0.02 -0.54 -0.76 -0.68 0.00 0.00 178.15 176.31 1x45 s LEU 32 N -9.13 4.62 -1.06 1.44 2.01 -1.26 -5.04 118.68 110.26 1x45 s LEU 32 Ca -0.09 -2.97 -0.23 0.00 0.01 0.00 0.00 54.13 50.85 1x45 s LEU 32 Cb 0.01 -1.71 -0.07 0.00 0.01 0.00 0.00 46.19 44.43 1x45 s LEU 32 CO 0.27 -0.28 1.94 -2.16 1.01 0.00 0.00 176.35 177.13 1x45 s PRO 33 N -0.23 2.52 0.00 1.29 0.04 -1.26 -4.68 135.00 132.68 1x45 s PRO 33 Ca 0.17 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1x45 s PRO 33 Cb -0.24 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1x45 s PRO 33 CO -0.01 -3.73 0.00 0.25 0.04 0.00 0.00 177.00 173.55 1x45 n THR 34 N 7.84 0.00 -3.64 1.26 -2.24 -1.26 -3.85 114.28 112.39 1x45 n THR 34 Ca 0.43 0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 62.31 1x45 n THR 34 Cb 0.47 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 1x45 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1x45 s VAL 35 N -0.38 0.00 0.09 2.28 -7.23 -1.26 -4.21 120.40 109.68 1x45 s VAL 35 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1x45 s VAL 35 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1x45 s VAL 35 CO 0.00 0.00 -0.16 0.27 -0.31 0.00 0.00 175.10 174.90 1x45 s ILE 36 N -0.24 1.32 -0.03 -0.62 -4.36 -0.13 -0.87 121.20 116.28 1x45 s ILE 36 Ca 0.06 -1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 58.74 1x45 s ILE 36 Cb -0.04 -1.27 -0.06 0.00 1.25 0.00 0.00 42.46 42.34 1x45 s ILE 36 CO -0.11 -0.19 1.74 -0.63 0.24 0.00 0.00 174.94 175.99 1x45 s ILE 37 N -1.32 3.43 -0.15 8.37 1.09 -0.59 0.33 121.20 132.36 1x45 s ILE 37 Ca 0.02 0.51 0.19 0.00 -1.10 0.00 0.00 60.65 60.27 1x45 s ILE 37 Cb -0.10 -3.33 -0.12 0.00 -1.06 0.00 0.00 42.46 37.85 1x45 s ILE 37 CO 0.03 -0.05 0.83 0.00 -0.10 0.00 0.00 174.94 175.65 1x45 n ALA 38 N 7.28 2.12 -3.58 9.38 0.00 0.12 -2.45 120.51 133.38 1x45 n ALA 38 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 1x45 n ALA 38 Cb 0.42 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1x45 n ALA 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x45 s ASN 39 N -5.58 -0.21 -0.11 0.00 3.84 -1.19 -4.98 114.94 106.71 1x45 s ASN 39 Ca -0.03 0.06 0.03 0.00 0.21 0.00 0.00 52.86 53.13 1x45 s ASN 39 Cb 0.09 0.21 0.01 0.00 -0.55 0.00 0.00 41.25 41.01 1x45 s ASN 39 CO 0.81 -0.31 -0.19 -0.04 -2.79 0.00 0.00 177.10 174.58 1x45 s MET 40 N -2.25 2.63 0.64 0.43 -1.94 -1.26 -0.18 119.30 117.36 1x45 s MET 40 Ca 0.07 -0.72 -0.17 0.00 -1.71 0.00 0.00 55.69 53.16 1x45 s MET 40 Cb -0.01 -2.11 -0.08 0.00 2.01 0.00 0.00 34.83 34.64 1x45 s MET 40 CO -0.05 0.03 0.39 -0.12 -0.01 0.00 0.00 175.02 175.25 1x45 n MET 41 N 3.94 0.34 -1.79 2.03 1.56 -0.92 -4.81 117.12 117.47 1x45 n MET 41 Ca -0.20 0.14 -0.41 0.00 -0.27 0.00 0.00 57.70 56.97 1x45 n MET 41 Cb 0.52 -1.63 -0.01 0.00 2.15 0.00 0.00 33.22 34.25 1x45 n MET 41 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1x45 n HIS 42 N -1.96 2.81 0.00 1.12 8.25 -1.26 -3.66 115.22 120.51 1x45 n HIS 42 Ca 0.10 -2.93 0.00 0.00 -0.26 0.00 0.00 57.72 54.62 1x45 n HIS 42 Cb 0.49 -2.22 0.00 0.00 1.12 0.00 0.00 29.99 29.38 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x45 n GLY 43 N 3.03 0.95 3.28 -1.41 0.00 -1.26 -5.16 105.19 104.62 1x45 n GLY 43 Ca 0.61 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.46 1x45 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x45 n GLY 44 N 0.00 2.01 0.20 -0.02 0.00 -1.24 -4.97 105.19 101.17 1x45 n GLY 44 Ca 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 1x45 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 h PRO 45 N 0.00 0.33 -0.09 1.61 0.13 -1.82 -2.06 132.00 130.09 1x45 h PRO 45 Ca -0.23 -0.17 -0.22 0.00 -0.87 0.00 0.00 66.00 64.51 1x45 h PRO 45 Cb 1.05 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1x45 h PRO 45 CO 0.33 0.71 -0.82 0.00 -0.23 0.00 0.00 178.00 178.00 1x45 h ALA 46 N 1.26 0.38 -0.15 -0.56 0.00 -1.74 0.11 119.26 118.56 1x45 h ALA 46 Ca 0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 1x45 h ALA 46 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1x45 h ALA 46 CO 0.07 0.73 -0.54 1.49 0.00 0.00 0.00 179.25 181.00 1x45 h GLU 47 N 0.40 0.44 0.23 0.00 4.57 -1.77 -3.06 114.58 115.40 1x45 h GLU 47 Ca -0.06 -0.27 -0.34 0.00 -1.18 0.00 0.00 59.36 57.51 1x45 h GLU 47 Cb 1.44 0.03 0.03 0.00 -0.16 0.00 0.00 28.75 30.09 1x45 h GLU 47 CO 0.16 0.86 -1.53 0.87 -1.18 0.00 0.00 179.01 178.19 1x45 h LYS 48 N 0.34 0.50 -0.80 1.92 1.57 -1.38 -3.32 116.57 115.40 1x45 h LYS 48 Ca 0.01 -0.85 0.14 0.00 -1.87 0.00 0.00 60.65 58.08 1x45 h LYS 48 Cb 1.05 0.32 -0.09 0.00 0.08 0.00 0.00 32.23 33.58 1x45 h LYS 48 CO 0.09 1.40 0.37 0.66 -0.57 0.00 0.00 179.45 181.40 1x45 h SER 49 N 0.14 0.41 -0.53 0.86 4.64 -0.80 -3.45 113.55 114.81 1x45 h SER 49 Ca -0.27 0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 60.92 1x45 h SER 49 Cb 2.15 0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 64.19 1x45 h SER 49 CO 0.25 0.17 -0.21 0.61 -0.87 0.00 0.00 176.83 176.78 1x45 n GLY 50 N -1.32 1.17 0.08 -0.77 0.00 -1.16 -4.85 105.19 98.33 1x45 n GLY 50 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1x45 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x45 h LYS 51 N 0.07 0.00 0.00 1.61 1.79 -1.88 -3.47 116.57 114.70 1x45 h LYS 51 Ca -0.23 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.68 1x45 h LYS 51 Cb 0.95 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.52 1x45 h LYS 51 CO 0.33 0.87 -0.33 1.47 -1.08 0.00 0.00 179.45 180.71 1x45 n LEU 52 N -3.30 0.00 -3.62 2.94 -0.00 -1.26 -4.75 117.00 107.00 1x45 n LEU 52 Ca -0.01 -2.73 -0.16 0.00 -0.00 0.00 0.00 56.01 53.11 1x45 n LEU 52 Cb 0.91 0.12 -0.07 0.00 -0.00 0.00 0.00 43.42 44.38 1x45 n LEU 52 CO 0.46 -0.49 0.27 0.20 -0.00 0.00 0.00 177.39 177.82 1x45 s ASN 53 N -3.76 -0.47 -0.55 1.45 0.01 -1.26 -5.06 114.94 105.30 1x45 s ASN 53 Ca 0.16 0.50 -0.33 0.00 -0.71 0.00 0.00 52.86 52.47 1x45 s ASN 53 Cb -0.01 0.48 -0.14 0.00 0.41 0.00 0.00 41.25 42.00 1x45 s ASN 53 CO 0.10 -0.53 2.36 -0.38 -1.51 0.00 0.00 177.10 177.14 1x45 n ILE 54 N 1.15 0.07 0.00 0.60 2.08 -1.26 -0.30 119.36 121.69 1x45 n ILE 54 Ca -0.20 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 62.82 1x45 n ILE 54 Cb 0.57 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 1x45 n ILE 54 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x45 n GLY 55 N 6.51 0.77 3.74 7.39 0.00 -1.03 -5.01 105.19 117.56 1x45 n GLY 55 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 1x45 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 56 N -0.81 4.97 0.18 1.61 1.11 0.59 -3.84 116.67 120.48 1x45 s ASP 56 Ca 0.00 2.67 0.08 0.00 0.18 0.00 0.00 52.55 55.48 1x45 s ASP 56 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1x45 s ASP 56 CO 0.00 -1.76 -0.06 0.00 1.18 0.00 0.00 175.17 174.52 1x45 s GLN 57 N -3.15 2.17 -0.27 8.23 -2.07 -1.03 -1.54 119.66 121.99 1x45 s GLN 57 Ca 0.77 -1.24 -0.09 0.00 -1.82 0.00 0.00 55.36 52.99 1x45 s GLN 57 Cb -0.38 -2.21 -0.03 0.00 -1.09 0.00 0.00 33.01 29.30 1x45 s GLN 57 CO 0.43 0.43 0.12 0.42 -1.32 0.00 0.00 175.29 175.37 1x45 s ILE 58 N -1.76 4.57 0.07 3.63 1.01 -0.05 0.08 121.20 128.76 1x45 s ILE 58 Ca 0.26 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 1x45 s ILE 58 Cb -0.09 -3.21 -0.14 0.00 0.01 0.00 0.00 42.46 39.03 1x45 s ILE 58 CO 0.16 0.24 1.32 0.24 0.00 0.00 0.00 174.94 176.90 1x45 h MET 59 N 8.30 0.59 -3.52 2.79 2.86 -0.23 -3.39 114.93 122.32 1x45 h MET 59 Ca -0.36 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 56.86 1x45 h MET 59 Cb 1.17 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.80 1x45 h MET 59 CO 0.58 1.00 -0.04 -1.54 1.06 0.00 0.00 176.91 177.98 1x45 s SER 60 N -6.59 -0.09 -0.22 1.22 1.04 -1.24 -2.59 113.70 105.23 1x45 s SER 60 Ca -0.13 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 1x45 s SER 60 Cb 0.07 0.62 0.07 0.00 0.10 0.00 0.00 66.02 66.88 1x45 s SER 60 CO 0.82 -1.20 0.02 -0.63 0.98 0.00 0.00 173.24 173.23 1x45 s ILE 61 N -3.93 0.87 -1.67 -1.02 1.01 0.86 -2.06 121.20 115.26 1x45 s ILE 61 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1x45 s ILE 61 Cb -0.02 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1x45 s ILE 61 CO 0.09 -0.24 0.00 0.59 0.00 0.00 0.00 174.94 175.38 1x45 n ASN 62 N 4.91 -5.17 0.00 3.58 3.02 0.25 -0.96 115.26 120.89 1x45 n ASN 62 Ca -0.09 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1x45 n ASN 62 Cb 0.46 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1x45 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x45 n GLY 63 N -0.78 0.95 3.19 7.41 0.00 -1.26 -5.04 105.19 109.66 1x45 n GLY 63 Ca -0.21 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1x45 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x45 s THR 64 N -2.00 3.20 0.33 2.61 2.01 -0.13 -5.09 115.64 116.57 1x45 s THR 64 Ca 0.00 -1.40 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 1x45 s THR 64 Cb 0.00 -2.87 -0.11 0.00 0.01 0.00 0.00 72.50 69.53 1x45 s THR 64 CO 0.00 -0.18 1.46 -0.94 -0.69 0.00 0.00 174.62 174.26 1x45 s SER 65 N 1.35 6.50 -0.04 3.53 1.04 -1.26 -0.10 113.70 124.72 1x45 s SER 65 Ca -0.03 2.88 0.16 0.00 0.48 0.00 0.00 55.95 59.44 1x45 s SER 65 Cb -0.20 -2.65 -0.25 0.00 0.10 0.00 0.00 66.02 63.02 1x45 s SER 65 CO -0.01 -0.77 0.32 0.18 0.98 0.00 0.00 173.24 173.94 1x45 n LEU 66 N 1.19 0.00 -4.66 2.42 4.77 -1.07 -4.90 117.00 114.74 1x45 n LEU 66 Ca 0.03 0.00 -0.62 0.00 -0.03 0.00 0.00 56.01 55.39 1x45 n LEU 66 Cb 0.40 0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1x45 n LEU 66 CO 0.62 0.06 1.32 0.55 -1.33 0.00 0.00 177.39 178.61 1x45 n VAL 67 N -2.14 0.13 0.00 4.08 3.14 -1.26 0.26 118.33 122.54 1x45 n VAL 67 Ca -0.06 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1x45 n VAL 67 Cb 0.51 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x45 n GLY 68 N 4.61 3.05 3.77 7.55 0.00 -1.25 -5.04 105.19 117.87 1x45 n GLY 68 Ca 0.32 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1x45 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x45 s LEU 69 N 0.00 4.13 0.60 0.99 1.43 0.14 -4.97 118.68 120.99 1x45 s LEU 69 Ca 0.00 2.86 -0.17 0.00 -1.03 0.00 0.00 54.13 55.79 1x45 s LEU 69 Cb 0.00 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1x45 s LEU 69 CO 0.00 -1.12 1.12 -2.16 0.23 0.00 0.00 176.35 174.43 1x45 s PRO 70 N -2.42 3.09 0.51 1.29 0.04 -1.26 -4.76 135.00 131.49 1x45 s PRO 70 Ca 0.60 1.51 0.25 0.00 0.04 0.00 0.00 61.00 63.40 1x45 s PRO 70 Cb -0.42 -1.98 1.34 0.00 0.04 0.00 0.00 34.50 33.48 1x45 s PRO 70 CO 0.54 -1.04 1.94 1.25 0.04 0.00 0.00 177.00 179.74 1x45 h LEU 71 N 0.64 0.10 -0.16 -3.56 5.85 -1.94 0.03 115.31 116.28 1x45 h LEU 71 Ca -0.48 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 1x45 h LEU 71 Cb 1.25 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1x45 h LEU 71 CO 0.56 0.05 -0.25 -1.28 -0.34 0.00 0.00 178.44 177.17 1x45 h SER 72 N 0.10 0.50 0.29 1.25 0.87 -1.98 -2.73 113.55 111.86 1x45 h SER 72 Ca 0.34 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 1x45 h SER 72 Cb 1.21 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1x45 h SER 72 CO -0.04 0.93 -0.14 0.74 -0.53 0.00 0.00 176.83 177.79 1x45 h THR 73 N 0.09 0.73 -0.94 2.23 2.02 -1.47 -2.94 112.91 112.64 1x45 h THR 73 Ca 0.01 -0.56 0.21 0.00 0.77 0.00 0.00 66.41 66.84 1x45 h THR 73 Cb 0.83 1.02 -0.12 0.00 -1.74 0.00 0.00 68.15 68.14 1x45 h THR 73 CO 0.06 0.11 0.50 0.00 0.37 0.00 0.00 175.52 176.55 1x45 h GLN 75 N 0.55 0.18 -0.45 0.00 4.20 -1.41 -2.60 115.11 115.58 1x45 h GLN 75 Ca 0.57 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.34 1x45 h GLN 75 Cb 1.01 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 1x45 h GLN 75 CO -0.46 0.12 0.10 1.03 -0.67 0.00 0.00 178.83 178.95 1x45 h SER 76 N 0.19 0.04 -0.50 1.46 0.87 -0.86 0.15 113.55 114.89 1x45 h SER 76 Ca 0.10 0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.88 1x45 h SER 76 Cb 0.07 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1x45 h SER 76 CO -0.11 0.05 0.36 0.40 -0.53 0.00 0.00 176.83 177.00 1x45 h ILE 77 N 0.24 0.76 0.00 2.23 2.04 -1.08 0.29 117.51 122.00 1x45 h ILE 77 Ca 0.22 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 1x45 h ILE 77 Cb 0.27 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1x45 h ILE 77 CO -0.28 0.01 -0.21 0.40 0.00 0.00 0.00 178.15 178.07 1x45 h ILE 78 N 0.03 0.03 0.00 -0.67 2.04 -0.69 -3.21 117.51 115.03 1x45 h ILE 78 Ca 0.24 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1x45 h ILE 78 Cb 0.91 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1x45 h ILE 78 CO -0.01 0.02 -0.16 0.11 0.00 0.00 0.00 178.15 178.10 1x45 h LYS 79 N 0.00 0.00 -0.92 2.37 1.57 0.47 -3.15 116.57 116.91 1x45 h LYS 79 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1x45 h LYS 79 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1x45 h LYS 79 CO 0.00 0.16 0.01 0.41 -0.57 0.00 0.00 179.45 179.46 1x45 n GLY 80 N 0.86 1.85 0.63 3.86 0.00 -1.01 -3.37 105.19 108.01 1x45 n GLY 80 Ca 0.02 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1x45 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 81 N 0.13 2.28 -0.08 0.99 4.77 -1.19 -4.48 117.00 119.41 1x45 n LEU 81 Ca 0.06 -0.95 -0.12 0.00 -0.03 0.00 0.00 56.01 54.97 1x45 n LEU 81 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1x45 n LEU 81 CO 0.07 0.41 0.69 0.50 -1.33 0.00 0.00 177.39 177.73 1x45 h LYS 82 N 3.08 0.47 0.00 3.23 3.64 -1.71 -2.51 116.57 122.76 1x45 h LYS 82 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1x45 h LYS 82 Cb 0.69 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1x45 h LYS 82 CO 0.00 0.71 0.00 0.27 -2.27 0.00 0.00 179.45 178.16 1x45 n ASN 83 N -4.55 0.00 -4.35 4.20 6.94 -1.26 -0.66 115.26 115.58 1x45 n ASN 83 Ca -0.04 0.24 -0.26 0.00 -0.02 0.00 0.00 54.58 54.50 1x45 n ASN 83 Cb 0.31 -0.32 -0.12 0.00 -2.36 0.00 0.00 39.78 37.28 1x45 n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x45 s GLN 84 N -2.64 1.30 -0.17 -3.83 -2.07 -0.95 -4.78 119.66 106.52 1x45 s GLN 84 Ca 0.06 -1.31 -0.14 0.00 -1.82 0.00 0.00 55.36 52.16 1x45 s GLN 84 Cb 0.05 -1.64 -0.05 0.00 -1.09 0.00 0.00 33.01 30.27 1x45 s GLN 84 CO 0.11 0.38 -0.24 -1.13 -1.32 0.00 0.00 175.29 173.09 1x45 n SER 85 N 0.83 1.87 -4.63 12.60 3.41 -1.26 -4.39 113.62 122.06 1x45 n SER 85 Ca -0.17 0.49 -0.40 0.00 -0.26 0.00 0.00 58.87 58.52 1x45 n SER 85 Cb 0.54 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1x45 n SER 85 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1x45 s ARG 86 N -2.53 4.11 -0.01 4.33 3.52 -1.26 -1.66 118.95 125.44 1x45 s ARG 86 Ca -0.22 0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 1x45 s ARG 86 Cb 0.04 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 1x45 s ARG 86 CO 0.33 -0.38 -0.17 0.08 -0.81 0.00 0.00 175.30 174.36 1x45 s VAL 87 N 2.39 1.34 -0.17 7.11 1.01 -1.05 -4.99 120.40 126.05 1x45 s VAL 87 Ca 0.25 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1x45 s VAL 87 Cb -0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1x45 s VAL 87 CO 0.09 0.38 0.02 -0.75 0.00 0.00 0.00 175.10 174.84 1x45 s LYS 88 N -0.38 3.81 -0.04 2.72 2.20 -1.26 -1.13 119.74 125.66 1x45 s LYS 88 Ca 0.06 -0.42 -0.07 0.00 -0.36 0.00 0.00 55.97 55.18 1x45 s LYS 88 Cb -0.07 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1x45 s LYS 88 CO -0.01 0.28 0.17 -0.51 -0.36 0.00 0.00 175.35 174.93 1x45 s LEU 89 N 0.30 1.37 -0.27 5.43 1.43 0.63 0.84 118.68 128.41 1x45 s LEU 89 Ca 0.01 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1x45 s LEU 89 Cb -0.13 0.68 -0.03 0.00 0.03 0.00 0.00 46.19 46.73 1x45 s LEU 89 CO 0.01 -0.19 0.41 0.21 0.23 0.00 0.00 176.35 177.02 1x45 s ASN 90 N -0.48 6.29 0.05 2.29 3.04 -0.87 0.79 114.94 126.05 1x45 s ASN 90 Ca -0.06 0.34 0.04 0.00 0.04 0.00 0.00 52.86 53.22 1x45 s ASN 90 Cb -0.04 -2.23 -0.04 0.00 -1.54 0.00 0.00 41.25 37.41 1x45 s ASN 90 CO 0.01 -0.21 -0.05 -0.63 -3.04 0.00 0.00 177.10 173.18 1x45 s ILE 91 N 2.12 3.74 -0.20 -5.21 -1.09 -1.01 0.56 121.20 120.11 1x45 s ILE 91 Ca 0.16 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.61 1x45 s ILE 91 Cb -0.16 -2.71 0.09 0.00 -1.58 0.00 0.00 42.46 38.11 1x45 s ILE 91 CO 0.10 0.25 0.23 -0.69 -1.23 0.00 0.00 174.94 173.60 1x45 s VAL 92 N -1.15 -0.34 -0.64 2.92 1.01 0.11 -1.40 120.40 120.91 1x45 s VAL 92 Ca 0.21 -0.08 -0.40 0.00 0.00 0.00 0.00 61.98 61.70 1x45 s VAL 92 Cb -0.11 -0.67 -0.20 0.00 0.00 0.00 0.00 36.38 35.40 1x45 s VAL 92 CO 0.12 -0.18 2.30 -0.24 0.00 0.00 0.00 175.10 177.11 1x45 n SER 93 N 5.32 0.64 -3.84 3.32 2.88 -1.26 -2.46 113.62 118.22 1x45 n SER 93 Ca -0.05 0.53 -0.39 0.00 -1.33 0.00 0.00 58.87 57.63 1x45 n SER 93 Cb 0.50 -0.91 -0.01 0.00 -0.75 0.00 0.00 64.21 63.03 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 94 N 7.20 -2.22 0.00 0.46 0.00 -1.25 -4.77 105.19 104.61 1x45 n GLY 94 Ca 0.58 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.74 1x45 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x45 n PRO 95 N 1.12 0.17 -3.60 1.61 -0.04 -1.26 -4.87 135.00 128.12 1x45 n PRO 95 Ca 0.11 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 1x45 n PRO 95 Cb 0.32 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.36 1x45 n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x45 n SER 96 N -1.33 -5.29 -4.55 3.54 7.64 -1.26 -4.81 113.62 107.55 1x45 n SER 96 Ca 0.06 -0.58 -0.56 0.00 1.01 0.00 0.00 58.87 58.80 1x45 n SER 96 Cb 0.13 -4.93 -0.08 0.00 -1.01 0.00 0.00 64.21 58.32 1x45 n SER 96 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x45 n SER 97 N -3.03 1.99 0.00 6.43 3.41 -1.26 -5.13 113.62 116.03 1x45 n SER 97 Ca -0.05 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1x45 n SER 97 Cb 0.58 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49