#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s n LYS 2 N 0.00 0.00 0.00 3.17 3.00 -1.26 -5.05 118.16 118.02 1k0s n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k0s n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1k0s n LYS 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1k0s n THR 3 N -1.65 0.00 -0.26 3.15 -1.04 -1.26 -4.67 114.28 108.55 1k0s n THR 3 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1k0s n THR 3 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1k0s h LEU 4 N 0.00 0.44 -7.00 -4.42 8.10 -2.08 -3.44 115.31 106.91 1k0s h LEU 4 Ca 0.00 0.08 0.21 0.00 0.11 0.00 0.00 57.88 58.28 1k0s h LEU 4 Cb 0.00 0.01 -0.34 0.00 -0.44 0.00 0.00 40.66 39.90 1k0s h LEU 4 CO 0.00 0.22 0.84 0.00 -4.11 0.00 0.00 178.44 175.39 1k0s s ALA 5 N -6.03 -2.48 0.54 0.17 0.00 -1.26 -5.16 121.76 107.55 1k0s s ALA 5 Ca -0.12 1.81 -0.20 0.00 0.00 0.00 0.00 51.96 53.45 1k0s s ALA 5 Cb 0.20 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1k0s s ALA 5 CO 0.77 -0.20 1.19 0.34 0.00 0.00 0.00 175.76 177.86 1k0s s ASP 6 N 0.52 5.59 -0.28 0.00 -1.08 -1.26 -4.94 116.67 115.22 1k0s s ASP 6 Ca -0.00 2.36 -0.25 0.00 -0.52 0.00 0.00 52.55 54.13 1k0s s ASP 6 Cb -0.04 -2.60 0.14 0.00 -1.46 0.00 0.00 42.92 38.97 1k0s s ASP 6 CO -0.13 -1.32 1.16 0.00 0.52 0.00 0.00 175.17 175.40 1k0s s ALA 7 N -1.59 -2.05 0.06 3.66 0.00 -1.26 -5.12 121.76 115.46 1k0s s ALA 7 Ca 0.72 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.49 1k0s s ALA 7 Cb -0.29 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1k0s s ALA 7 CO 0.34 -0.20 0.00 1.28 0.00 0.00 0.00 175.76 177.18 1k0s n LEU 8 N 1.96 -4.14 0.18 0.00 4.77 -1.26 -5.07 117.00 113.43 1k0s n LEU 8 Ca -0.12 1.52 0.00 0.00 -0.03 0.00 0.00 56.01 57.38 1k0s n LEU 8 Cb 0.56 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1k0s n LEU 8 CO 0.02 -1.13 0.00 1.17 -1.33 0.00 0.00 177.39 176.12 1k0s n LYS 9 N 0.92 0.00 -4.39 3.23 3.00 -1.26 -4.79 118.16 114.87 1k0s n LYS 9 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 1k0s n LYS 9 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1k0s n LYS 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k0s s GLU 10 N -2.00 2.00 -0.28 1.64 2.12 -1.26 -1.47 118.70 119.45 1k0s s GLU 10 Ca 0.00 -1.76 -0.23 0.00 0.36 0.00 0.00 54.97 53.34 1k0s s GLU 10 Cb 0.00 -1.89 0.09 0.00 0.26 0.00 0.00 34.13 32.60 1k0s s GLU 10 CO 0.00 0.18 0.83 0.12 -0.54 0.00 0.00 175.26 175.85 1k0s s PHE 11 N -2.52 -0.71 0.06 5.30 5.36 0.30 -4.64 117.98 121.13 1k0s s PHE 11 Ca 0.33 1.66 -0.20 0.00 -0.96 0.00 0.00 56.93 57.76 1k0s s PHE 11 Cb -0.01 0.35 -0.06 0.00 -0.34 0.00 0.00 43.02 42.96 1k0s s PHE 11 CO 0.18 -0.35 0.59 -1.21 -1.46 0.00 0.00 175.22 172.98 1k0s s GLU 12 N 0.57 4.25 0.31 10.12 2.02 -1.25 0.36 118.70 135.09 1k0s s GLU 12 Ca -0.01 0.77 -0.14 0.00 0.02 0.00 0.00 54.97 55.61 1k0s s GLU 12 Cb -0.05 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.94 1k0s s GLU 12 CO -0.05 0.58 0.63 0.54 0.02 0.00 0.00 175.26 176.97 1k0s s VAL 13 N -0.92 0.00 0.03 2.63 0.11 -0.08 -4.60 120.40 117.57 1k0s s VAL 13 Ca 0.30 -1.22 -0.20 0.00 -2.93 0.00 0.00 61.98 57.92 1k0s s VAL 13 Cb -0.19 -2.43 -0.06 0.00 -1.53 0.00 0.00 36.38 32.17 1k0s s VAL 13 CO 0.19 0.00 0.60 -0.22 -3.33 0.00 0.00 175.10 172.34 1k0s s LEU 14 N -3.05 4.46 0.07 2.54 1.98 -0.90 0.13 118.68 123.92 1k0s s LEU 14 Ca 0.19 1.22 -0.12 0.00 -2.89 0.00 0.00 54.13 52.53 1k0s s LEU 14 Cb -0.03 -2.93 0.01 0.00 0.66 0.00 0.00 46.19 43.90 1k0s s LEU 14 CO 0.11 0.17 0.27 -0.94 -1.89 0.00 0.00 176.35 174.07 1k0s s SER 15 N -0.56 -0.05 0.08 3.68 1.04 0.70 -1.52 113.70 117.08 1k0s s SER 15 Ca 0.31 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1k0s s SER 15 Cb -0.19 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1k0s s SER 15 CO 0.18 -0.70 0.29 0.72 0.98 0.00 0.00 173.24 174.72 1k0s s PHE 16 N -3.26 -0.05 -0.97 5.02 -0.71 0.74 0.12 117.98 118.89 1k0s s PHE 16 Ca 0.00 -0.24 -0.19 0.00 -1.04 0.00 0.00 56.93 55.46 1k0s s PHE 16 Cb 0.02 0.09 0.13 0.00 -1.21 0.00 0.00 43.02 42.04 1k0s s PHE 16 CO -0.08 -0.57 1.19 -1.21 -1.34 0.00 0.00 175.22 173.21 1k0s s GLU 17 N -3.35 3.65 -0.18 1.99 0.41 0.98 0.29 118.70 122.48 1k0s s GLU 17 Ca 0.01 -1.79 -0.21 0.00 -0.41 0.00 0.00 54.97 52.57 1k0s s GLU 17 Cb 0.02 -4.98 -0.03 0.00 -1.78 0.00 0.00 34.13 27.37 1k0s s GLU 17 CO -0.08 -1.82 0.64 0.42 -0.49 0.00 0.00 175.26 173.93 1k0s s ILE 18 N 2.79 5.02 -1.01 -1.63 -1.09 0.22 -4.46 121.20 121.05 1k0s s ILE 18 Ca 0.35 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.69 1k0s s ILE 18 Cb -0.04 -3.95 0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1k0s s ILE 18 CO -0.08 0.13 0.56 -0.90 -1.23 0.00 0.00 174.94 173.42 1k0s n ASP 19 N 4.91 -3.40 0.00 3.58 5.68 -1.26 -0.30 116.55 125.76 1k0s n ASP 19 Ca -0.01 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1k0s n ASP 19 Cb 0.50 -1.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1k0s n GLU 20 N -4.40 0.00 -2.57 0.11 -0.58 -1.26 -4.82 120.64 107.12 1k0s n GLU 20 Ca -0.09 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.40 1k0s n GLU 20 Cb 0.47 -0.05 0.03 0.00 -0.57 0.00 0.00 31.44 31.32 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1k0s s GLN 21 N 0.00 2.82 0.27 3.49 1.03 0.59 -5.01 119.66 122.86 1k0s s GLN 21 Ca 0.00 -0.27 -0.12 0.00 0.04 0.00 0.00 55.36 55.01 1k0s s GLN 21 Cb 0.00 -2.37 -0.08 0.00 0.03 0.00 0.00 33.01 30.59 1k0s s GLN 21 CO 0.00 -0.65 0.63 0.00 -2.54 0.00 0.00 175.29 172.73 1k0s s ALA 22 N -2.87 3.47 -0.04 2.60 0.00 -0.99 0.72 121.76 124.63 1k0s s ALA 22 Ca 0.54 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1k0s s ALA 22 Cb -0.10 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1k0s s ALA 22 CO 0.42 0.42 -0.06 -1.17 0.00 0.00 0.00 175.76 175.38 1k0s s LEU 23 N -2.92 1.44 0.04 0.00 2.96 0.15 0.52 118.68 120.88 1k0s s LEU 23 Ca 0.50 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1k0s s LEU 23 Cb -0.11 -0.50 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1k0s s LEU 23 CO 0.20 -0.03 -0.05 0.00 -1.32 0.00 0.00 176.35 175.15 1k0s s ALA 24 N 0.77 0.46 0.01 5.97 0.00 0.20 -0.18 121.76 128.98 1k0s s ALA 24 Ca -0.11 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1k0s s ALA 24 Cb -0.14 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1k0s s ALA 24 CO 0.01 -0.18 -0.06 -0.06 0.00 0.00 0.00 175.76 175.46 1k0s s PHE 25 N -2.35 0.54 -0.10 0.00 0.40 -0.57 -0.47 117.98 115.43 1k0s s PHE 25 Ca -0.05 -0.19 -0.37 0.00 -0.60 0.00 0.00 56.93 55.72 1k0s s PHE 25 Cb -0.03 -0.34 -0.15 0.00 0.51 0.00 0.00 43.02 43.01 1k0s s PHE 25 CO -0.03 -0.02 1.67 -3.47 0.70 0.00 0.00 175.22 174.07 1k0s n ASP 26 N 2.60 2.60 0.08 1.36 -0.08 -0.83 -2.13 116.55 120.14 1k0s n ASP 26 Ca -0.15 1.06 0.05 0.00 -1.51 0.00 0.00 54.79 54.24 1k0s n ASP 26 Cb 0.57 -1.25 0.28 0.00 2.34 0.00 0.00 41.12 43.07 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1k0s n VAL 27 N 4.15 1.54 -0.20 5.18 0.24 -1.26 -1.88 118.33 126.10 1k0s n VAL 27 Ca 0.23 0.61 -0.08 0.00 -2.04 0.00 0.00 64.34 63.06 1k0s n VAL 27 Cb 0.21 -1.61 0.02 0.00 -1.47 0.00 0.00 33.84 30.99 1k0s n VAL 27 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1k0s h ASP 28 N 0.00 0.80 0.07 -1.34 3.32 -1.94 -3.26 116.42 114.08 1k0s h ASP 28 Ca 0.00 -0.18 -0.25 0.00 0.02 0.00 0.00 57.03 56.62 1k0s h ASP 28 Cb 0.00 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1k0s h ASP 28 CO 0.00 0.76 -1.33 -1.13 -1.72 0.00 0.00 179.24 175.82 1k0s h ASN 29 N 0.79 0.24 -3.75 6.45 -0.73 -1.70 -3.47 115.58 113.42 1k0s h ASN 29 Ca 0.19 -0.77 -0.53 0.00 1.87 0.00 0.00 56.30 57.06 1k0s h ASN 29 Cb 0.22 -0.08 0.07 0.00 0.27 0.00 0.00 38.32 38.80 1k0s h ASN 29 CO -0.01 1.56 0.69 -0.63 -0.37 0.00 0.00 177.43 178.67 1k0s s ILE 30 N -2.43 2.61 -0.09 2.57 -1.09 -1.00 -2.74 121.20 119.03 1k0s s ILE 30 Ca -0.23 0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 58.72 1k0s s ILE 30 Cb 0.05 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1k0s s ILE 30 CO 0.71 0.12 -0.12 -1.84 -1.23 0.00 0.00 174.94 172.58 1k0s n GLU 31 N 1.19 0.20 -2.78 2.79 0.28 -0.75 -4.72 120.64 116.85 1k0s n GLU 31 Ca 0.02 0.09 -0.04 0.00 -0.16 0.00 0.00 57.16 57.07 1k0s n GLU 31 Cb 0.41 -0.83 0.02 0.00 1.43 0.00 0.00 31.44 32.46 1k0s n GLU 31 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1k0s n MET 32 N -3.42 0.55 -4.41 3.44 2.81 -1.22 -5.04 117.12 109.83 1k0s n MET 32 Ca -0.18 -1.14 -0.26 0.00 -1.81 0.00 0.00 57.70 54.31 1k0s n MET 32 Cb 0.63 1.46 -0.17 0.00 -0.71 0.00 0.00 33.22 34.43 1k0s n MET 32 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1k0s s VAL 33 N -2.37 1.22 0.52 2.03 -7.23 -1.26 0.07 120.40 113.38 1k0s s VAL 33 Ca 0.12 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1k0s s VAL 33 Cb -0.02 -1.14 0.04 0.00 0.56 0.00 0.00 36.38 35.81 1k0s s VAL 33 CO 0.05 0.38 0.72 0.27 -0.31 0.00 0.00 175.10 176.22 1k0s s ILE 34 N 0.97 2.71 0.22 -0.62 -4.36 0.22 -4.92 121.20 115.41 1k0s s ILE 34 Ca -0.08 -0.81 -0.14 0.00 -0.26 0.00 0.00 60.65 59.36 1k0s s ILE 34 Cb -0.15 -2.90 -0.08 0.00 1.25 0.00 0.00 42.46 40.59 1k0s s ILE 34 CO -0.00 0.00 0.61 -1.61 0.24 0.00 0.00 174.94 174.18 1k0s s GLU 35 N -4.63 3.96 0.02 0.37 2.02 -1.26 -1.85 118.70 117.33 1k0s s GLU 35 Ca 0.58 0.51 -0.20 0.00 0.02 0.00 0.00 54.97 55.87 1k0s s GLU 35 Cb -0.09 -2.72 -0.06 0.00 0.10 0.00 0.00 34.13 31.36 1k0s s GLU 35 CO 0.37 0.34 0.59 0.21 0.02 0.00 0.00 175.26 176.79 1k0s s LYS 36 N -2.46 4.29 0.00 1.61 2.20 -1.26 -4.74 119.74 119.37 1k0s s LYS 36 Ca 0.45 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1k0s s LYS 36 Cb -0.13 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1k0s s LYS 36 CO 0.20 0.45 0.00 -1.13 -0.36 0.00 0.00 175.35 174.51 1k0s n SER 37 N 2.42 0.00 -4.63 1.43 3.41 -1.26 -4.94 113.62 110.04 1k0s n SER 37 Ca -0.08 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.10 1k0s n SER 37 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1k0s n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1k0s n ASP 38 N 0.10 1.90 0.00 4.04 5.75 -1.26 -4.86 116.55 122.22 1k0s n ASP 38 Ca 0.00 1.19 0.00 0.00 -0.01 0.00 0.00 54.79 55.97 1k0s n ASP 38 Cb 0.00 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 38.72 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1k0s n ILE 39 N 0.26 0.00 -3.21 2.12 5.41 -1.26 -5.07 119.36 117.61 1k0s n ILE 39 Ca 0.08 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.58 1k0s n ILE 39 Cb 0.34 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.19 1k0s n ILE 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1k0s n THR 40 N -0.63 -0.69 -0.09 1.39 -1.04 -1.26 -4.81 114.28 107.15 1k0s n THR 40 Ca 0.00 -3.98 -0.18 0.00 -2.04 0.00 0.00 64.05 57.85 1k0s n THR 40 Cb 0.00 -1.94 -0.11 0.00 -1.82 0.00 0.00 70.33 66.46 1k0s n THR 40 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1k0s h PRO 41 N 4.13 0.00 -0.04 -2.82 0.13 -1.96 -3.39 132.00 128.05 1k0s h PRO 41 Ca 0.09 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.03 1k0s h PRO 41 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1k0s h PRO 41 CO 0.46 0.93 -0.79 -0.24 -0.23 0.00 0.00 178.00 178.13 1k0s h VAL 42 N -1.00 1.42 0.00 1.56 3.04 -1.96 -3.19 116.25 116.13 1k0s h VAL 42 Ca -0.20 -2.32 0.00 0.00 -1.01 0.00 0.00 66.70 63.17 1k0s h VAL 42 Cb 1.13 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.67 1k0s h VAL 42 CO -0.12 0.69 0.00 -2.65 -1.01 0.00 0.00 177.57 174.47 1k0s n PRO 43 N -3.77 0.62 -0.91 4.17 -0.02 -1.26 -4.89 135.00 128.94 1k0s n PRO 43 Ca -0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1k0s n PRO 43 Cb 0.74 -1.07 0.08 0.00 -0.02 0.00 0.00 33.50 33.23 1k0s n PRO 43 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1k0s n LYS 44 N -0.35 -0.13 0.00 -0.52 2.85 -1.21 -4.95 118.16 113.85 1k0s n LYS 44 Ca 0.00 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1k0s n LYS 44 Cb 0.03 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k0s n SER 45 N 1.34 0.00 0.00 -5.58 2.88 -1.26 -5.00 113.62 106.00 1k0s n SER 45 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1k0s n SER 45 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1k0s n SER 45 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1k0s n ARG 46 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -5.00 116.66 108.94 1k0s n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1k0s n ARG 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1k0s n ARG 46 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1k0s n HIS 47 N -0.30 0.00 0.01 2.89 -0.00 -1.26 -4.70 115.22 111.86 1k0s n HIS 47 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1k0s n HIS 47 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1k0s n HIS 47 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1k0s h PHE 48 N 0.00 -0.16 -3.20 1.57 3.57 -1.99 -3.41 116.94 113.33 1k0s h PHE 48 Ca 0.00 0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.98 1k0s h PHE 48 Cb 0.00 0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1k0s h PHE 48 CO 0.00 -0.10 0.58 0.08 -2.23 0.00 0.00 178.31 176.64 1k0s s VAL 49 N -6.18 3.89 0.09 1.41 1.01 -1.26 -4.13 120.40 115.23 1k0s s VAL 49 Ca -0.14 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.11 1k0s s VAL 49 Cb 0.09 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.36 1k0s s VAL 49 CO 0.67 0.12 1.22 1.05 0.00 0.00 0.00 175.10 178.16 1k0s h GLU 50 N 6.63 0.64 0.00 2.72 4.11 -1.53 -3.47 114.58 123.69 1k0s h GLU 50 Ca -0.42 -0.69 0.09 0.00 0.07 0.00 0.00 59.36 58.41 1k0s h GLU 50 Cb 1.21 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1k0s h GLU 50 CO 0.81 1.28 0.34 0.41 0.07 0.00 0.00 179.01 181.92 1k0s n GLY 51 N 1.04 0.92 3.82 1.06 0.00 -0.94 -4.53 105.19 106.56 1k0s n GLY 51 Ca -0.10 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 1k0s n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0s s VAL 52 N -2.28 0.00 -0.27 1.61 -7.23 -1.26 -0.53 120.40 110.44 1k0s s VAL 52 Ca 0.13 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.08 1k0s s VAL 52 Cb -0.02 -2.19 0.08 0.00 0.56 0.00 0.00 36.38 34.81 1k0s s VAL 52 CO 0.04 0.00 0.68 0.27 -0.31 0.00 0.00 175.10 175.78 1k0s s ILE 53 N -3.63 -0.00 -0.08 -0.62 -4.36 -0.75 -4.16 121.20 107.60 1k0s s ILE 53 Ca 0.13 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.37 1k0s s ILE 53 Cb -0.05 -0.98 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1k0s s ILE 53 CO 0.08 0.00 0.39 0.21 0.24 0.00 0.00 174.94 175.86 1k0s s ASN 54 N 1.34 6.66 -0.28 4.36 3.84 -1.26 -1.69 114.94 127.90 1k0s s ASN 54 Ca -0.08 0.78 -0.24 0.00 0.21 0.00 0.00 52.86 53.54 1k0s s ASN 54 Cb -0.05 -2.24 0.13 0.00 -0.55 0.00 0.00 41.25 38.54 1k0s s ASN 54 CO -0.15 0.17 1.06 -0.22 -2.79 0.00 0.00 177.10 175.17 1k0s s LEU 55 N -0.13 -0.42 -1.48 3.21 2.96 -0.68 -4.97 118.68 117.17 1k0s s LEU 55 Ca 0.22 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.87 1k0s s LEU 55 Cb -0.15 1.80 0.04 0.00 0.50 0.00 0.00 46.19 48.38 1k0s s LEU 55 CO 0.10 -0.14 0.57 0.54 -1.32 0.00 0.00 176.35 176.10 1k0s n ARG 56 N 2.34 -3.57 -3.84 1.98 1.74 -1.26 -0.79 116.66 113.26 1k0s n ARG 56 Ca -0.13 0.43 -0.28 0.00 -0.77 0.00 0.00 57.85 57.09 1k0s n ARG 56 Cb 0.56 -4.78 0.04 0.00 -1.02 0.00 0.00 32.46 27.26 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k0s n GLY 57 N -1.81 -0.49 3.56 -0.13 0.00 -1.26 -4.97 105.19 100.09 1k0s n GLY 57 Ca -0.19 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1k0s n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s s ARG 58 N -6.52 0.54 -0.17 1.61 0.52 0.03 -5.15 118.95 109.80 1k0s s ARG 58 Ca 0.61 1.33 -0.08 0.00 -0.52 0.00 0.00 55.73 57.06 1k0s s ARG 58 Cb -0.30 0.65 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 1k0s s ARG 58 CO 0.81 -0.20 0.11 0.42 0.02 0.00 0.00 175.30 176.46 1k0s s ILE 59 N 2.63 5.25 -0.10 1.52 1.09 -1.26 -1.69 121.20 128.65 1k0s s ILE 59 Ca -0.06 0.13 0.01 0.00 -1.10 0.00 0.00 60.65 59.63 1k0s s ILE 59 Cb -0.11 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 37.91 1k0s s ILE 59 CO -0.18 0.49 -0.13 0.27 -0.10 0.00 0.00 174.94 175.29 1k0s s ILE 60 N -0.02 3.07 -0.35 2.92 -5.25 -0.68 -4.75 121.20 116.14 1k0s s ILE 60 Ca 0.09 -0.68 -0.13 0.00 -0.99 0.00 0.00 60.65 58.94 1k0s s ILE 60 Cb -0.12 -2.25 -0.01 0.00 2.95 0.00 0.00 42.46 43.03 1k0s s ILE 60 CO 0.00 0.55 0.24 -2.16 -1.79 0.00 0.00 174.94 171.79 1k0s s PRO 61 N -0.11 3.34 -0.04 0.37 0.04 -1.23 -1.81 135.00 135.56 1k0s s PRO 61 Ca -0.01 -0.75 -0.20 0.00 0.04 0.00 0.00 61.00 60.07 1k0s s PRO 61 Cb -0.14 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1k0s s PRO 61 CO 0.03 -0.52 0.59 0.14 0.04 0.00 0.00 177.00 177.28 1k0s s VAL 62 N 1.70 5.00 0.05 -0.36 -7.23 0.31 -1.48 120.40 118.38 1k0s s VAL 62 Ca 0.06 1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 61.39 1k0s s VAL 62 Cb -0.18 -3.92 -0.02 0.00 0.56 0.00 0.00 36.38 32.82 1k0s s VAL 62 CO 0.10 0.37 0.08 -0.69 -0.31 0.00 0.00 175.10 174.65 1k0s s VAL 63 N 0.14 0.15 -1.08 1.32 1.01 -0.81 -1.57 120.40 119.57 1k0s s VAL 63 Ca 0.31 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1k0s s VAL 63 Cb -0.17 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 1k0s s VAL 63 CO 0.16 -0.68 2.11 0.59 0.00 0.00 0.00 175.10 177.29 1k0s n ASN 64 N 0.58 3.62 -0.08 3.32 3.02 -1.26 -1.65 115.26 122.81 1k0s n ASN 64 Ca -0.18 -2.69 0.22 0.00 -0.03 0.00 0.00 54.58 51.90 1k0s n ASN 64 Cb 0.59 -1.33 0.68 0.00 -0.61 0.00 0.00 39.78 39.11 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1k0s h LEU 65 N 11.49 0.05 -2.00 3.41 6.46 -1.82 0.71 115.31 133.61 1k0s h LEU 65 Ca 0.51 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.25 1k0s h LEU 65 Cb 0.58 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1k0s h LEU 65 CO 1.87 0.02 -0.10 0.00 -0.62 0.00 0.00 178.44 179.62 1k0s h ALA 66 N 1.67 1.49 0.17 1.25 0.00 -1.83 0.07 119.26 122.08 1k0s h ALA 66 Ca 0.33 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.85 1k0s h ALA 66 Cb 1.22 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1k0s h ALA 66 CO -0.02 0.12 -1.42 -0.22 0.00 0.00 0.00 179.25 177.71 1k0s h LYS 67 N 0.00 0.36 -0.81 0.00 3.11 0.23 0.88 116.57 120.34 1k0s h LYS 67 Ca -0.00 -0.62 0.03 0.00 -2.81 0.00 0.00 60.65 57.25 1k0s h LYS 67 Cb 0.23 0.23 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 1k0s h LYS 67 CO 0.01 1.30 0.52 0.97 -2.81 0.00 0.00 179.45 179.44 1k0s h ILE 68 N -0.10 1.13 -0.06 2.00 2.10 -0.95 -1.28 117.51 120.35 1k0s h ILE 68 Ca -0.28 -0.35 -0.11 0.00 1.08 0.00 0.00 64.86 65.20 1k0s h ILE 68 Cb 1.93 0.03 0.01 0.00 -1.09 0.00 0.00 36.82 37.69 1k0s h ILE 68 CO 0.16 0.19 -0.39 0.25 -1.08 0.00 0.00 178.15 177.27 1k0s h LEU 69 N 1.02 0.45 0.00 2.19 7.12 -1.08 -3.49 115.31 121.51 1k0s h LEU 69 Ca 0.32 -0.67 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1k0s h LEU 69 Cb -0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 1k0s h LEU 69 CO -0.11 1.05 0.00 0.61 -0.13 0.00 0.00 178.44 179.86 1k0s n GLY 70 N 0.77 1.51 0.91 3.75 0.00 0.31 -5.02 105.19 107.41 1k0s n GLY 70 Ca -0.09 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.25 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.00 -0.23 -0.36 -0.61 -5.35 -1.25 -3.92 119.36 107.63 1k0s n ILE 71 Ca 0.00 0.32 0.32 0.00 -0.27 0.00 0.00 62.75 63.12 1k0s n ILE 71 Cb 0.00 -0.53 0.66 0.00 -1.74 0.00 0.00 39.64 38.03 1k0s n ILE 71 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1k0s h SER 72 N -1.19 0.19 -0.76 7.28 0.87 -1.92 -3.42 113.55 114.60 1k0s h SER 72 Ca -0.07 0.05 -0.43 0.00 -1.23 0.00 0.00 61.79 60.11 1k0s h SER 72 Cb 0.84 0.02 0.08 0.00 -0.44 0.00 0.00 62.40 62.90 1k0s h SER 72 CO 0.03 0.01 -0.41 0.33 -0.53 0.00 0.00 176.83 176.25 1k0s n PHE 73 N -4.39 -0.57 -2.60 2.24 7.35 -1.25 -4.91 117.46 113.33 1k0s n PHE 73 Ca 0.28 0.59 -0.02 0.00 -0.76 0.00 0.00 57.45 57.54 1k0s n PHE 73 Cb 1.18 -1.26 0.04 0.00 0.35 0.00 0.00 39.48 39.79 1k0s n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0s n ASP 74 N 1.37 -0.83 -3.14 -2.13 2.03 -1.26 -4.92 116.55 107.67 1k0s n ASP 74 Ca 0.11 -1.61 -0.19 0.00 0.52 0.00 0.00 54.79 53.62 1k0s n ASP 74 Cb 0.19 0.50 0.07 0.00 -0.72 0.00 0.00 41.12 41.16 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0s n GLU 75 N -0.61 -6.48 0.00 -0.67 1.02 -1.26 -4.96 120.64 107.68 1k0s n GLU 75 Ca -0.11 0.72 -0.11 0.00 -0.02 0.00 0.00 57.16 57.63 1k0s n GLU 75 Cb 0.67 -5.41 -0.09 0.00 -0.02 0.00 0.00 31.44 26.59 1k0s n GLU 75 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1k0s h GLN 76 N -2.10 -0.10 0.00 3.49 3.07 -1.95 -3.42 115.11 114.10 1k0s h GLN 76 Ca -0.50 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1k0s h GLN 76 Cb 1.31 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1k0s h GLN 76 CO 0.46 0.47 -0.30 1.63 0.09 0.00 0.00 178.83 181.18 1k0s n LYS 77 N -4.82 0.00 -1.48 0.06 4.01 -1.26 -5.12 118.16 109.56 1k0s n LYS 77 Ca -0.08 -0.64 -0.41 0.00 -0.51 0.00 0.00 58.31 56.66 1k0s n LYS 77 Cb 0.30 -0.34 0.01 0.00 -0.51 0.00 0.00 35.03 34.49 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N 0.00 0.66 -1.70 1.97 2.81 -1.26 -4.58 117.12 115.02 1k0s n MET 78 Ca 0.00 0.24 -0.01 0.00 -1.81 0.00 0.00 57.70 56.13 1k0s n MET 78 Cb 0.62 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.57 1k0s n MET 78 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1k0s n LYS 79 N 0.46 0.34 -3.57 0.03 2.85 0.37 -4.82 118.16 113.82 1k0s n LYS 79 Ca 0.11 -0.33 -0.06 0.00 -1.05 0.00 0.00 58.31 56.98 1k0s n LYS 79 Cb 0.40 0.16 -0.02 0.00 -0.65 0.00 0.00 35.03 34.93 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1k0s s SER 80 N -0.31 -0.27 -0.04 -5.58 0.01 0.17 -4.28 113.70 103.40 1k0s s SER 80 Ca 0.02 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 1k0s s SER 80 Cb 0.11 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1k0s s SER 80 CO -0.03 -0.58 0.04 -0.63 0.41 0.00 0.00 173.24 172.45 1k0s s ILE 81 N -2.97 -0.05 -0.07 1.44 1.01 -0.77 0.39 121.20 120.17 1k0s s ILE 81 Ca 0.08 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.85 1k0s s ILE 81 Cb -0.01 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 1k0s s ILE 81 CO -0.06 0.16 0.60 -0.63 0.00 0.00 0.00 174.94 175.00 1k0s s ILE 82 N 1.77 5.08 0.00 2.92 1.01 0.27 0.69 121.20 132.94 1k0s s ILE 82 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 1k0s s ILE 82 Cb -0.12 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1k0s s ILE 82 CO -0.03 0.31 0.16 -0.69 0.00 0.00 0.00 174.94 174.69 1k0s s VAL 83 N 0.54 5.22 0.31 2.92 1.01 0.11 -0.27 120.40 130.24 1k0s s VAL 83 Ca 0.32 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1k0s s VAL 83 Cb -0.17 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1k0s s VAL 83 CO 0.15 0.30 0.37 0.00 0.00 0.00 0.00 175.10 175.92 1k0s n ALA 84 N 0.89 0.07 -3.64 5.51 0.00 0.23 -1.82 120.51 121.76 1k0s n ALA 84 Ca -0.11 -1.58 -0.16 0.00 0.00 0.00 0.00 53.44 51.60 1k0s n ALA 84 Cb 0.52 1.28 -0.16 0.00 0.00 0.00 0.00 19.45 21.09 1k0s n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1k0s s ARG 85 N -2.92 0.12 -0.19 0.00 0.52 -1.11 -0.21 118.95 115.17 1k0s s ARG 85 Ca 0.30 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.58 1k0s s ARG 85 Cb 0.00 -0.33 0.08 0.00 0.52 0.00 0.00 34.95 35.22 1k0s s ARG 85 CO 0.21 -0.13 0.20 0.95 0.02 0.00 0.00 175.30 176.55 1k0s s THR 86 N 0.93 -0.28 -1.46 0.02 -4.23 0.36 -4.84 115.64 106.13 1k0s s THR 86 Ca -0.08 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.31 1k0s s THR 86 Cb -0.12 -0.63 0.03 0.00 1.34 0.00 0.00 72.50 73.12 1k0s s THR 86 CO -0.02 -0.19 0.47 1.17 -0.54 0.00 0.00 174.62 175.51 1k0s n LYS 87 N 5.31 -3.23 -2.30 3.99 3.00 -1.26 -0.28 118.16 123.39 1k0s n LYS 87 Ca -0.06 0.39 -0.07 0.00 -0.00 0.00 0.00 58.31 58.57 1k0s n LYS 87 Cb 0.49 -4.60 0.00 0.00 0.00 0.00 0.00 35.03 30.93 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k0s n ASP 88 N -2.93 -2.80 -3.88 3.14 9.92 -1.26 -5.03 116.55 113.71 1k0s n ASP 88 Ca -0.24 -0.05 -0.29 0.00 -0.53 0.00 0.00 54.79 53.68 1k0s n ASP 88 Cb 0.65 -1.95 -0.16 0.00 -0.64 0.00 0.00 41.12 39.02 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k0s s VAL 89 N -2.52 1.21 -0.70 2.53 1.01 0.61 -5.06 120.40 117.48 1k0s s VAL 89 Ca 0.05 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1k0s s VAL 89 Cb -0.02 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.91 1k0s s VAL 89 CO 0.06 -0.09 0.99 -0.70 0.00 0.00 0.00 175.10 175.36 1k0s s GLU 90 N 1.55 3.19 0.34 2.72 2.12 -1.25 0.14 118.70 127.50 1k0s s GLU 90 Ca -0.04 -0.99 -0.09 0.00 0.36 0.00 0.00 54.97 54.22 1k0s s GLU 90 Cb -0.18 -4.35 -0.06 0.00 0.26 0.00 0.00 34.13 29.80 1k0s s GLU 90 CO -0.07 -1.81 0.67 0.08 -0.54 0.00 0.00 175.26 173.59 1k0s s VAL 91 N 3.85 4.87 0.14 3.70 1.01 0.71 -3.51 120.40 131.17 1k0s s VAL 91 Ca 0.24 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.75 1k0s s VAL 91 Cb -0.15 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1k0s s VAL 91 CO 0.07 -0.39 -0.21 -0.83 0.00 0.00 0.00 175.10 173.75 1k0s s GLY 92 N -3.02 1.38 -0.04 4.51 0.00 -0.55 0.78 107.32 110.38 1k0s s GLY 92 Ca 0.49 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 1k0s s GLY 92 CO 0.29 -1.43 0.08 -0.12 0.00 0.00 0.00 173.10 171.92 1k0s s PHE 93 N -1.58 -0.06 -0.02 1.90 5.36 0.62 -1.92 117.98 122.28 1k0s s PHE 93 Ca 0.12 0.30 -0.21 0.00 -0.96 0.00 0.00 56.93 56.18 1k0s s PHE 93 Cb -0.08 -0.17 -0.05 0.00 -0.34 0.00 0.00 43.02 42.38 1k0s s PHE 93 CO 0.06 -0.13 0.61 -1.17 -1.46 0.00 0.00 175.22 173.13 1k0s s LEU 94 N 1.13 4.39 0.00 6.12 2.96 -0.66 0.95 118.68 133.57 1k0s s LEU 94 Ca -0.09 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.95 1k0s s LEU 94 Cb -0.12 -2.94 0.01 0.00 0.50 0.00 0.00 46.19 43.63 1k0s s LEU 94 CO -0.04 0.05 0.28 1.33 -1.32 0.00 0.00 176.35 176.65 1k0s n VAL 95 N 2.99 0.00 -0.03 1.68 0.24 0.16 -4.51 118.33 118.87 1k0s n VAL 95 Ca -0.06 -0.87 -0.07 0.00 -2.04 0.00 0.00 64.34 61.30 1k0s n VAL 95 Cb 0.51 0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.43 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -1.78 1.27 -3.86 -1.34 -0.08 -1.26 0.14 116.55 109.64 1k0s n ASP 96 Ca -0.00 0.20 -0.22 0.00 -1.51 0.00 0.00 54.79 53.25 1k0s n ASP 96 Cb 0.31 -0.46 -0.17 0.00 2.34 0.00 0.00 41.12 43.14 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1k0s s ARG 97 N -2.33 0.88 -0.26 -0.67 6.06 -1.26 -4.34 118.95 117.02 1k0s s ARG 97 Ca -0.14 -0.06 -0.01 0.00 -2.50 0.00 0.00 55.73 53.02 1k0s s ARG 97 Cb 0.03 -1.02 0.04 0.00 0.06 0.00 0.00 34.95 34.06 1k0s s ARG 97 CO 0.19 -0.18 -0.06 0.54 -2.50 0.00 0.00 175.30 173.29 1k0s s VAL 98 N 1.41 2.77 0.44 7.11 0.11 -1.26 -0.02 120.40 130.96 1k0s s VAL 98 Ca -0.03 -1.21 0.14 0.00 -2.93 0.00 0.00 61.98 57.94 1k0s s VAL 98 Cb -0.13 -2.49 0.18 0.00 -1.53 0.00 0.00 36.38 32.41 1k0s s VAL 98 CO -0.03 0.09 1.98 -0.07 -3.33 0.00 0.00 175.10 173.74 1k0s h LEU 99 N 7.97 0.02 0.00 2.54 -0.00 0.66 -3.47 115.31 123.03 1k0s h LEU 99 Ca -0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1k0s h LEU 99 Cb 1.09 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1k0s h LEU 99 CO 0.55 0.21 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 1k0s n GLY 100 N -0.98 1.71 3.66 0.83 0.00 -0.08 -4.89 105.19 105.44 1k0s n GLY 100 Ca -0.02 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 1k0s n GLY 100 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0s n VAL 101 N 0.00 0.25 -4.22 1.61 3.14 -1.25 -0.21 118.33 117.64 1k0s n VAL 101 Ca 0.00 -0.06 -0.17 0.00 -2.96 0.00 0.00 64.34 61.15 1k0s n VAL 101 Cb 0.00 -1.46 -0.15 0.00 -1.06 0.00 0.00 33.84 31.18 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1k0s s LEU 102 N 0.66 1.97 -1.27 6.55 2.96 0.35 -4.78 118.68 125.12 1k0s s LEU 102 Ca 0.76 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 1k0s s LEU 102 Cb -0.69 -0.34 0.16 0.00 0.50 0.00 0.00 46.19 45.82 1k0s s LEU 102 CO 0.42 0.07 1.80 -2.11 -1.32 0.00 0.00 176.35 175.21 1k0s n ARG 103 N 2.98 3.53 -3.18 1.98 1.85 -1.26 -0.90 116.66 121.66 1k0s n ARG 103 Ca -0.14 -3.55 -0.39 0.00 -1.00 0.00 0.00 57.85 52.77 1k0s n ARG 103 Cb 0.57 -2.97 -0.05 0.00 -1.05 0.00 0.00 32.46 28.95 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.81 4.99 0.24 8.89 -1.09 0.16 -4.80 121.20 130.40 1k0s s ILE 104 Ca 0.41 1.25 -0.13 0.00 -2.23 0.00 0.00 60.65 59.94 1k0s s ILE 104 Cb 0.07 -3.94 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1k0s s ILE 104 CO 0.00 0.36 0.63 0.42 -1.23 0.00 0.00 174.94 175.12 1k0s s THR 105 N 0.21 4.79 -0.35 2.92 -4.23 -1.26 0.11 115.64 117.83 1k0s s THR 105 Ca 0.32 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 1k0s s THR 105 Cb -0.18 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.14 1k0s s THR 105 CO 0.16 -0.01 0.21 -0.70 -0.54 0.00 0.00 174.62 173.75 1k0s s GLU 106 N -2.59 0.54 -0.09 3.99 2.56 -0.54 -4.83 118.70 117.74 1k0s s GLU 106 Ca 0.47 -1.30 0.10 0.00 0.00 0.00 0.00 54.97 54.24 1k0s s GLU 106 Cb -0.12 -1.27 0.43 0.00 2.00 0.00 0.00 34.13 35.16 1k0s s GLU 106 CO 0.20 -1.21 1.24 0.09 -0.56 0.00 0.00 175.26 175.02 1k0s n ASN 107 N 4.06 3.16 0.00 -1.70 5.03 -1.26 -4.26 115.26 120.28 1k0s n ASN 107 Ca 0.12 -2.34 0.00 0.00 0.87 0.00 0.00 54.58 53.23 1k0s n ASN 107 Cb 0.37 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k0s n GLN 108 N 0.48 0.00 0.00 3.52 10.64 -1.26 -4.69 117.38 126.07 1k0s n GLN 108 Ca 0.15 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 1k0s n GLN 108 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.01 1k0s n GLN 108 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1k0s n LEU 109 N -1.01 0.00 0.00 2.61 4.77 -1.22 0.03 117.00 122.18 1k0s n LEU 109 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1k0s n LEU 109 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1k0s n LEU 109 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1k0s n ASP 110 N 8.37 0.00 -0.26 -1.43 -0.08 0.16 -3.72 116.55 119.60 1k0s n ASP 110 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1k0s n ASP 110 Cb 0.00 0.16 0.05 0.00 2.34 0.00 0.00 41.12 43.67 1k0s n ASP 110 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1k0s h LEU 111 N 0.00 1.03 0.03 -2.67 6.46 -2.04 -3.31 115.31 114.80 1k0s h LEU 111 Ca 0.00 -0.20 -0.36 0.00 -0.12 0.00 0.00 57.88 57.19 1k0s h LEU 111 Cb 0.00 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.61 1k0s h LEU 111 CO 0.00 0.96 -2.05 1.07 -0.62 0.00 0.00 178.44 177.80 1k0s n THR 112 N -4.30 1.58 -1.86 1.05 5.66 -1.26 -5.08 114.28 110.06 1k0s n THR 112 Ca 0.05 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1k0s n THR 112 Cb 0.22 -1.81 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 1k0s n THR 112 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1k0s n ASN 113 N -3.96 0.00 0.19 1.09 3.02 0.10 -5.05 115.26 110.66 1k0s n ASN 113 Ca -0.42 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1k0s n ASN 113 Cb 0.88 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 1k0s n ASN 113 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k0s n VAL 114 N 0.00 0.00 -2.15 2.41 0.31 -1.17 0.37 118.33 118.10 1k0s n VAL 114 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k0s n VAL 114 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1k0s n VAL 114 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1k0s n SER 115 N -3.28 -8.69 -0.03 4.52 3.41 -1.26 -4.37 113.62 103.91 1k0s n SER 115 Ca 0.00 1.50 -0.10 0.00 -0.26 0.00 0.00 58.87 60.00 1k0s n SER 115 Cb 0.00 -4.99 -0.04 0.00 -0.26 0.00 0.00 64.21 58.92 1k0s n SER 115 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1k0s h ASP 116 N 4.40 0.20 0.00 4.04 2.03 -1.94 -3.44 116.42 121.70 1k0s h ASP 116 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1k0s h ASP 116 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1k0s h ASP 116 CO 0.00 0.15 0.00 0.29 -1.03 0.00 0.00 179.24 178.65 1k0s n LYS 117 N -4.96 0.00 -0.08 4.15 4.76 -1.26 -3.30 118.16 117.46 1k0s n LYS 117 Ca -0.04 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.30 1k0s n LYS 117 Cb 0.03 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.17 1k0s n LYS 117 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1k0s h PHE 118 N 0.00 0.00 0.00 2.13 3.04 -1.83 -3.37 116.94 116.91 1k0s h PHE 118 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1k0s h PHE 118 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1k0s h PHE 118 CO 0.00 0.53 0.00 0.41 -2.02 0.00 0.00 178.31 177.23 1k0s n GLY 119 N 1.56 0.63 2.41 2.40 0.00 -1.24 -4.89 105.19 106.06 1k0s n GLY 119 Ca -0.16 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1k0s n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1k0s n LYS 120 N 0.00 3.17 0.00 1.61 2.85 -1.26 -3.99 118.16 120.54 1k0s n LYS 120 Ca 0.00 -2.51 0.00 0.00 -1.05 0.00 0.00 58.31 54.75 1k0s n LYS 120 Cb 0.00 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 32.05 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1k0s n LYS 121 N 1.59 0.01 -0.42 -1.58 3.00 -1.26 -5.09 118.16 114.40 1k0s n LYS 121 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 1k0s n LYS 121 Cb 0.48 -0.51 0.00 0.00 0.00 0.00 0.00 35.03 35.00 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 122 N -1.43 0.00 0.24 3.14 3.41 -1.26 -3.31 113.62 114.42 1k0s n SER 122 Ca 0.00 -0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.15 1k0s n SER 122 Cb 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1k0s n SER 122 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k0s h LYS 123 N 0.00 -0.58 0.00 4.33 3.11 -1.88 -3.42 116.57 118.13 1k0s h LYS 123 Ca 0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1k0s h LYS 123 Cb 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1k0s h LYS 123 CO 0.00 -0.31 0.00 0.41 -2.81 0.00 0.00 179.45 176.74 1k0s n GLY 124 N -0.91 3.96 3.76 5.01 0.00 -0.64 -4.57 105.19 111.79 1k0s n GLY 124 Ca -0.11 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1k0s n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k0s s LEU 125 N 0.00 3.97 0.16 0.99 1.98 -1.25 -1.65 118.68 122.87 1k0s s LEU 125 Ca 0.00 2.86 0.07 0.00 -2.89 0.00 0.00 54.13 54.17 1k0s s LEU 125 Cb 0.00 -4.12 -0.04 0.00 0.66 0.00 0.00 46.19 42.69 1k0s s LEU 125 CO 0.00 -1.41 -0.15 0.54 -1.89 0.00 0.00 176.35 173.43 1k0s s VAL 126 N -1.25 1.58 -0.09 1.68 0.11 0.19 -4.68 120.40 117.95 1k0s s VAL 126 Ca 0.67 -1.93 -0.09 0.00 -2.93 0.00 0.00 61.98 57.70 1k0s s VAL 126 Cb -0.42 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 32.66 1k0s s VAL 126 CO 0.52 -0.45 0.25 -0.54 -3.33 0.00 0.00 175.10 171.55 1k0s s LYS 127 N -3.03 0.31 -0.24 1.54 1.02 -1.26 -1.07 119.74 117.02 1k0s s LYS 127 Ca 0.15 0.31 -0.26 0.00 0.02 0.00 0.00 55.97 56.19 1k0s s LYS 127 Cb -0.04 0.15 0.09 0.00 -0.52 0.00 0.00 37.83 37.52 1k0s s LYS 127 CO 0.05 -0.04 0.84 0.99 -0.92 0.00 0.00 175.35 176.26 1k0s s THR 128 N 0.04 0.00 -1.39 2.17 2.01 -0.90 -4.57 115.64 113.00 1k0s s THR 128 Ca -0.01 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1k0s s THR 128 Cb -0.02 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1k0s s THR 128 CO 0.01 0.00 0.96 0.47 -0.69 0.00 0.00 174.62 175.37 1k0s n ASP 129 N 2.15 -3.84 -3.28 3.53 8.00 -1.26 -1.33 116.55 120.52 1k0s n ASP 129 Ca -0.14 -0.71 -0.23 0.00 0.71 0.00 0.00 54.79 54.43 1k0s n ASP 129 Cb 0.56 -4.38 -0.00 0.00 -0.02 0.00 0.00 41.12 37.27 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k0s n GLY 130 N -1.66 -0.49 3.09 0.44 0.00 -1.26 -4.94 105.19 100.37 1k0s n GLY 130 Ca -0.10 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1k0s n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 131 N -5.93 0.65 0.07 1.61 1.04 -0.44 -5.15 118.95 110.79 1k0s s ARG 131 Ca 0.37 -0.77 -0.20 0.00 -1.04 0.00 0.00 55.73 54.09 1k0s s ARG 131 Cb -0.19 -0.52 -0.07 0.00 -2.04 0.00 0.00 34.95 32.13 1k0s s ARG 131 CO 0.46 0.11 0.59 -0.51 -0.04 0.00 0.00 175.30 175.91 1k0s s LEU 132 N -1.48 4.52 -0.02 -1.89 1.02 -1.26 -2.12 118.68 117.46 1k0s s LEU 132 Ca -0.06 1.28 -0.18 0.00 0.02 0.00 0.00 54.13 55.20 1k0s s LEU 132 Cb -0.09 -2.94 0.03 0.00 0.02 0.00 0.00 46.19 43.21 1k0s s LEU 132 CO 0.01 0.25 0.38 -0.63 0.02 0.00 0.00 176.35 176.37 1k0s s ILE 133 N -0.99 0.05 -0.17 -0.59 1.01 -0.24 -2.36 121.20 117.91 1k0s s ILE 133 Ca 0.30 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 1k0s s ILE 133 Cb -0.20 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1k0s s ILE 133 CO 0.19 -0.22 0.06 -0.63 0.00 0.00 0.00 174.94 174.35 1k0s s ILE 134 N -1.39 4.81 -0.04 2.92 -1.09 0.19 0.54 121.20 127.14 1k0s s ILE 134 Ca -0.13 -0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.32 1k0s s ILE 134 Cb -0.04 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.66 1k0s s ILE 134 CO 0.05 0.48 -0.21 -0.47 -1.23 0.00 0.00 174.94 173.56 1k0s s TYR 135 N 0.24 2.51 0.19 3.97 5.04 -0.66 0.62 117.35 129.25 1k0s s TYR 135 Ca 0.04 -0.36 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1k0s s TYR 135 Cb -0.12 -1.57 -0.05 0.00 0.35 0.00 0.00 41.96 40.57 1k0s s TYR 135 CO 0.00 0.03 0.04 -0.51 -1.34 0.00 0.00 175.55 173.77 1k0s s LEU 136 N -0.59 1.92 -0.04 6.97 1.02 0.38 -1.63 118.68 126.71 1k0s s LEU 136 Ca 0.09 -1.23 0.12 0.00 0.02 0.00 0.00 54.13 53.13 1k0s s LEU 136 Cb -0.11 0.03 0.22 0.00 0.02 0.00 0.00 46.19 46.35 1k0s s LEU 136 CO 0.00 -0.64 1.10 -0.90 0.02 0.00 0.00 176.35 175.93 1k0s n ASP 137 N -0.27 0.80 -0.84 2.29 5.75 -1.26 -1.97 116.55 121.05 1k0s n ASP 137 Ca -0.05 -2.33 -0.01 0.00 -0.01 0.00 0.00 54.79 52.39 1k0s n ASP 137 Cb 0.64 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.43 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k0s n ILE 138 N -0.13 0.00 -0.05 2.12 3.06 -1.26 -4.75 119.36 118.34 1k0s n ILE 138 Ca 0.06 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.30 1k0s n ILE 138 Cb 0.84 -0.15 -0.00 0.00 0.54 0.00 0.00 39.64 40.86 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 0.00 0.42 9.51 3.58 -1.97 -2.52 116.42 125.45 1k0s h ASP 139 Ca -0.03 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.22 1k0s h ASP 139 Cb 0.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1k0s h ASP 139 CO 0.04 0.56 -0.86 0.11 -2.88 0.00 0.00 179.24 176.21 1k0s h LYS 140 N -0.98 0.31 -0.23 0.28 6.56 -1.85 -2.44 116.57 118.21 1k0s h LYS 140 Ca 0.00 -0.31 -0.04 0.00 -1.06 0.00 0.00 60.65 59.24 1k0s h LYS 140 Cb 0.13 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1k0s h LYS 140 CO 0.00 1.00 -0.01 0.97 -2.06 0.00 0.00 179.45 179.35 1k0s h ILE 141 N 0.19 1.26 -0.35 1.86 -0.00 -1.74 -2.45 117.51 116.28 1k0s h ILE 141 Ca -0.05 -0.92 -0.02 0.00 -0.00 0.00 0.00 64.86 63.87 1k0s h ILE 141 Cb 1.47 1.41 -0.02 0.00 -0.00 0.00 0.00 36.82 39.69 1k0s h ILE 141 CO 0.14 0.29 0.16 -0.29 -0.00 0.00 0.00 178.15 178.44 1k0s h ILE 142 N 0.18 1.17 -0.82 2.19 6.09 -1.47 -1.25 117.51 123.60 1k0s h ILE 142 Ca 0.06 -0.51 0.19 0.00 -1.37 0.00 0.00 64.86 63.24 1k0s h ILE 142 Cb 0.43 0.87 -0.12 0.00 0.47 0.00 0.00 36.82 38.46 1k0s h ILE 142 CO 0.01 0.18 0.25 -0.08 -3.07 0.00 0.00 178.15 175.45 1k0s h GLU 143 N 0.42 0.28 -0.04 2.19 4.81 -1.34 0.81 114.58 121.71 1k0s h GLU 143 Ca 0.12 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1k0s h GLU 143 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1k0s h GLU 143 CO -0.01 0.19 -0.47 0.93 -0.73 0.00 0.00 179.01 178.92 1k0s h GLU 144 N 0.29 0.09 0.24 1.92 5.08 -1.01 -2.42 114.58 118.78 1k0s h GLU 144 Ca 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1k0s h GLU 144 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1k0s h GLU 144 CO -0.55 0.54 -0.22 0.82 -1.00 0.00 0.00 179.01 178.60 1k0s h ILE 145 N 0.07 0.53 0.13 3.13 2.04 0.18 0.44 117.51 124.03 1k0s h ILE 145 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1k0s h ILE 145 Cb 0.86 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1k0s h ILE 145 CO 0.07 0.00 -0.06 0.71 0.00 0.00 0.00 178.15 178.86 1k0s h THR 146 N -0.48 1.05 0.00 -0.27 1.35 -1.39 -3.08 112.91 110.09 1k0s h THR 146 Ca -0.01 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1k0s h THR 146 Cb 0.44 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1k0s h THR 146 CO -0.04 0.21 0.00 0.55 -0.25 0.00 0.00 175.52 176.00 1k0s n VAL 147 N -4.96 1.07 -0.20 6.82 3.14 -0.91 -1.98 118.33 121.31 1k0s n VAL 147 Ca -0.09 0.34 -0.04 0.00 -2.96 0.00 0.00 64.34 61.60 1k0s n VAL 147 Cb 0.25 -1.23 0.02 0.00 -1.06 0.00 0.00 33.84 31.82 1k0s n VAL 147 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1k0s h LYS 148 N 0.00 -0.12 0.00 1.45 1.63 -0.01 -3.40 116.57 116.11 1k0s h LYS 148 Ca 0.00 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 1k0s h LYS 148 Cb 0.23 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.82 1k0s h LYS 148 CO 0.00 -0.08 0.15 -1.91 -3.45 0.00 0.00 179.45 174.16 1k0s n GLU 149 N -5.44 0.09 -2.34 1.90 2.13 -1.23 -4.98 120.64 110.77 1k0s n GLU 149 Ca 0.05 -0.42 0.00 0.00 0.66 0.00 0.00 57.16 57.45 1k0s n GLU 149 Cb 0.35 0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.07 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k0s n GLY 150 N -0.37 0.82 0.16 8.31 0.00 -1.05 -4.89 105.19 108.18 1k0s n GLY 150 Ca -0.20 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.22 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70