#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s h LYS 2 N 0.00 0.26 0.00 2.12 1.79 -2.11 -3.45 116.57 115.18 1k0s h LYS 2 Ca 0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1k0s h LYS 2 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1k0s h LYS 2 CO 0.00 0.60 0.00 -2.37 -1.08 0.00 0.00 179.45 176.60 1k0s n THR 3 N -4.68 0.00 0.07 -0.16 5.66 -1.26 -4.43 114.28 109.48 1k0s n THR 3 Ca -0.06 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.03 1k0s n THR 3 Cb 0.28 0.00 0.55 0.00 -1.55 0.00 0.00 70.33 69.61 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1k0s h LEU 4 N 0.00 0.23 -9.87 1.09 8.10 -2.10 -3.42 115.31 109.34 1k0s h LEU 4 Ca 0.00 -0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.46 1k0s h LEU 4 Cb 0.00 -0.05 0.08 0.00 -0.44 0.00 0.00 40.66 40.24 1k0s h LEU 4 CO 0.00 0.16 0.71 0.00 -4.11 0.00 0.00 178.44 175.19 1k0s s ALA 5 N -5.27 3.55 -0.29 0.17 0.00 -1.26 -5.01 121.76 113.65 1k0s s ALA 5 Ca -0.07 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 1k0s s ALA 5 Cb 0.18 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.92 1k0s s ALA 5 CO 0.71 -0.79 0.99 0.16 0.00 0.00 0.00 175.76 176.83 1k0s s ASP 6 N -0.20 -0.50 0.00 0.00 -4.77 -1.26 -5.10 116.67 104.84 1k0s s ASP 6 Ca 0.52 0.78 0.00 0.00 -3.30 0.00 0.00 52.55 50.55 1k0s s ASP 6 Cb -0.42 1.26 0.00 0.00 -1.09 0.00 0.00 42.92 42.67 1k0s s ASP 6 CO 0.54 -0.12 0.00 0.00 0.70 0.00 0.00 175.17 176.29 1k0s n ALA 7 N 3.85 0.00 -3.13 2.11 0.00 -1.26 -5.04 120.51 117.04 1k0s n ALA 7 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1k0s n ALA 7 Cb 0.57 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.09 1k0s n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k0s n LEU 8 N 0.00 -4.38 0.00 0.00 4.77 -1.26 -4.93 117.00 111.20 1k0s n LEU 8 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1k0s n LEU 8 Cb 0.00 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.29 1k0s n LEU 8 CO 0.00 0.22 -0.08 1.17 -1.33 0.00 0.00 177.39 177.37 1k0s n LYS 9 N -3.38 0.00 -4.12 3.23 0.00 -1.26 -4.72 118.16 107.91 1k0s n LYS 9 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.05 1k0s n LYS 9 Cb 0.63 -0.23 -0.10 0.00 0.00 0.00 0.00 35.03 35.33 1k0s n LYS 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1k0s s GLU 10 N -1.75 0.88 -0.27 1.64 2.02 -1.26 -3.55 118.70 116.41 1k0s s GLU 10 Ca 0.00 -1.37 -0.25 0.00 0.02 0.00 0.00 54.97 53.38 1k0s s GLU 10 Cb 0.00 0.25 0.07 0.00 0.10 0.00 0.00 34.13 34.55 1k0s s GLU 10 CO 0.00 -0.24 0.72 0.12 0.02 0.00 0.00 175.26 175.88 1k0s s PHE 11 N -4.02 -0.80 -0.02 1.61 5.36 0.43 -4.72 117.98 115.83 1k0s s PHE 11 Ca 0.20 1.93 -0.21 0.00 -0.96 0.00 0.00 56.93 57.89 1k0s s PHE 11 Cb 0.07 0.29 -0.05 0.00 -0.34 0.00 0.00 43.02 42.99 1k0s s PHE 11 CO -0.01 -0.39 0.60 -2.00 -1.46 0.00 0.00 175.22 171.97 1k0s s GLU 12 N 0.44 4.34 0.21 10.12 2.56 -1.26 -0.69 118.70 134.42 1k0s s GLU 12 Ca -0.00 0.74 -0.14 0.00 0.00 0.00 0.00 54.97 55.56 1k0s s GLU 12 Cb -0.05 -3.36 0.01 0.00 2.00 0.00 0.00 34.13 32.73 1k0s s GLU 12 CO -0.00 0.31 0.47 0.54 -0.56 0.00 0.00 175.26 176.02 1k0s s VAL 13 N -0.01 0.02 -0.01 3.70 0.11 -0.46 -4.41 120.40 119.34 1k0s s VAL 13 Ca 0.32 -1.13 -0.20 0.00 -2.93 0.00 0.00 61.98 58.03 1k0s s VAL 13 Cb -0.18 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.75 1k0s s VAL 13 CO 0.17 -0.11 0.59 -0.22 -3.33 0.00 0.00 175.10 172.20 1k0s s LEU 14 N -2.95 4.41 0.08 2.54 1.98 -0.86 0.15 118.68 124.02 1k0s s LEU 14 Ca 0.15 1.14 -0.11 0.00 -2.89 0.00 0.00 54.13 52.43 1k0s s LEU 14 Cb -0.00 -2.91 0.01 0.00 0.66 0.00 0.00 46.19 43.94 1k0s s LEU 14 CO 0.02 0.09 0.25 -0.55 -1.89 0.00 0.00 176.35 174.27 1k0s s SER 15 N -0.11 0.00 0.17 3.68 0.15 0.23 -0.50 113.70 117.32 1k0s s SER 15 Ca 0.31 -0.46 -0.10 0.00 0.70 0.00 0.00 55.95 56.41 1k0s s SER 15 Cb -0.18 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1k0s s SER 15 CO 0.17 -0.69 0.31 0.72 1.20 0.00 0.00 173.24 174.95 1k0s s PHE 16 N -3.36 0.37 -0.03 3.44 -0.71 0.16 0.22 117.98 118.07 1k0s s PHE 16 Ca 0.01 -0.73 -0.21 0.00 -1.04 0.00 0.00 56.93 54.96 1k0s s PHE 16 Cb 0.02 -0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.77 1k0s s PHE 16 CO -0.08 -0.75 0.61 -1.21 -1.34 0.00 0.00 175.22 172.44 1k0s s GLU 17 N -3.97 4.35 -0.36 1.99 2.02 0.58 -0.14 118.70 123.17 1k0s s GLU 17 Ca 0.17 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.90 1k0s s GLU 17 Cb 0.03 -3.38 0.12 0.00 0.10 0.00 0.00 34.13 31.00 1k0s s GLU 17 CO 0.01 0.27 0.16 0.42 0.02 0.00 0.00 175.26 176.13 1k0s s ILE 18 N 0.13 0.97 -1.19 -1.63 -1.09 0.27 -4.11 121.20 114.56 1k0s s ILE 18 Ca 0.32 -1.81 -0.32 0.00 -2.23 0.00 0.00 60.65 56.61 1k0s s ILE 18 Cb -0.18 -1.71 0.03 0.00 -1.58 0.00 0.00 42.46 39.03 1k0s s ILE 18 CO 0.17 -0.78 0.71 0.47 -1.23 0.00 0.00 174.94 174.27 1k0s n ASP 19 N 4.34 -4.42 0.00 3.58 9.92 -1.26 -0.99 116.55 127.72 1k0s n ASP 19 Ca 0.03 -1.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 1k0s n ASP 19 Cb 0.39 -2.03 0.00 0.00 -0.64 0.00 0.00 41.12 38.84 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k0s n GLU 20 N -4.85 0.00 -3.29 -1.24 1.02 -1.26 -4.76 120.64 106.26 1k0s n GLU 20 Ca -0.11 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.68 1k0s n GLU 20 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.93 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1k0s s GLN 21 N 0.00 4.03 0.61 3.49 -2.07 -0.16 -4.78 119.66 120.79 1k0s s GLN 21 Ca 0.00 0.58 -0.04 0.00 -1.82 0.00 0.00 55.36 54.08 1k0s s GLN 21 Cb 0.00 -2.88 0.03 0.00 -1.09 0.00 0.00 33.01 29.07 1k0s s GLN 21 CO 0.00 0.43 0.89 0.00 -1.32 0.00 0.00 175.29 175.29 1k0s s ALA 22 N -1.52 3.46 -0.10 2.60 0.00 0.21 0.97 121.76 127.37 1k0s s ALA 22 Ca 0.40 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1k0s s ALA 22 Cb -0.15 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.60 1k0s s ALA 22 CO 0.20 -0.93 0.26 -1.17 0.00 0.00 0.00 175.76 174.11 1k0s s LEU 23 N -4.98 0.69 0.05 0.00 2.96 0.80 0.38 118.68 118.57 1k0s s LEU 23 Ca 0.57 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1k0s s LEU 23 Cb -0.10 0.84 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 1k0s s LEU 23 CO 0.42 -0.13 -0.06 0.00 -1.32 0.00 0.00 176.35 175.27 1k0s s ALA 24 N 0.70 0.51 0.01 5.97 0.00 0.24 0.37 121.76 129.57 1k0s s ALA 24 Ca -0.05 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1k0s s ALA 24 Cb -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1k0s s ALA 24 CO -0.04 -0.14 -0.07 -0.06 0.00 0.00 0.00 175.76 175.45 1k0s s PHE 25 N -2.09 0.62 -0.10 0.00 0.40 0.34 -0.65 117.98 116.50 1k0s s PHE 25 Ca -0.06 -0.21 -0.36 0.00 -0.60 0.00 0.00 56.93 55.70 1k0s s PHE 25 Cb -0.05 -0.39 -0.14 0.00 0.51 0.00 0.00 43.02 42.96 1k0s s PHE 25 CO -0.02 -0.02 1.76 -0.40 0.70 0.00 0.00 175.22 177.24 1k0s n ASP 26 N 2.51 2.95 0.16 1.36 5.75 -0.93 -2.04 116.55 126.31 1k0s n ASP 26 Ca -0.16 1.03 0.11 0.00 -0.01 0.00 0.00 54.79 55.76 1k0s n ASP 26 Cb 0.57 -1.29 0.57 0.00 -1.03 0.00 0.00 41.12 39.93 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1k0s n VAL 27 N 4.58 1.03 -0.15 2.12 0.24 -1.26 -1.19 118.33 123.69 1k0s n VAL 27 Ca 0.23 0.67 -0.09 0.00 -2.04 0.00 0.00 64.34 63.11 1k0s n VAL 27 Cb 0.24 -1.66 -0.00 0.00 -1.47 0.00 0.00 33.84 30.94 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 0.61 0.10 -1.34 3.32 -1.90 -3.26 116.42 113.94 1k0s h ASP 28 Ca 0.00 -0.18 -0.33 0.00 0.02 0.00 0.00 57.03 56.54 1k0s h ASP 28 Cb 0.05 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1k0s h ASP 28 CO 0.00 0.62 -1.78 -1.13 -1.72 0.00 0.00 179.24 175.23 1k0s h ASN 29 N 0.56 0.34 -2.79 6.45 -0.73 -1.66 -3.47 115.58 114.27 1k0s h ASN 29 Ca 0.14 -0.85 -0.52 0.00 1.87 0.00 0.00 56.30 56.94 1k0s h ASN 29 Cb 0.21 -0.11 0.05 0.00 0.27 0.00 0.00 38.32 38.74 1k0s h ASN 29 CO -0.01 1.76 0.93 -0.63 -0.37 0.00 0.00 177.43 179.11 1k0s s ILE 30 N -2.51 2.35 -0.01 2.57 -1.09 -0.33 -1.93 121.20 120.24 1k0s s ILE 30 Ca -0.23 0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1k0s s ILE 30 Cb 0.06 -3.16 -0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1k0s s ILE 30 CO 0.74 0.02 -0.01 -0.33 -1.23 0.00 0.00 174.94 174.13 1k0s h GLU 31 N 6.67 0.00 -1.86 2.79 4.39 -0.40 -3.44 114.58 122.73 1k0s h GLU 31 Ca -0.43 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.39 1k0s h GLU 31 Cb 1.20 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.66 1k0s h GLU 31 CO 0.92 0.00 0.57 -1.64 -1.16 0.00 0.00 179.01 177.70 1k0s s MET 32 N -1.10 0.64 0.43 2.33 -1.94 -1.19 -4.98 119.30 113.50 1k0s s MET 32 Ca -0.01 -0.10 -0.05 0.00 -1.71 0.00 0.00 55.69 53.83 1k0s s MET 32 Cb 0.00 0.30 -0.04 0.00 2.01 0.00 0.00 34.83 37.10 1k0s s MET 32 CO 0.01 -0.25 0.72 0.14 -0.01 0.00 0.00 175.02 175.63 1k0s s VAL 33 N -2.21 4.94 0.15 -6.03 -7.23 -1.26 -0.55 120.40 108.21 1k0s s VAL 33 Ca 0.03 0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 60.17 1k0s s VAL 33 Cb -0.01 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 33.10 1k0s s VAL 33 CO -0.04 -0.73 0.37 0.27 -0.31 0.00 0.00 175.10 174.66 1k0s s ILE 34 N -2.58 0.07 0.20 -0.62 -4.36 -0.35 -4.92 121.20 108.64 1k0s s ILE 34 Ca 0.46 -0.95 -0.15 0.00 -0.26 0.00 0.00 60.65 59.75 1k0s s ILE 34 Cb -0.10 -1.50 -0.08 0.00 1.25 0.00 0.00 42.46 42.03 1k0s s ILE 34 CO 0.41 -0.30 0.61 -1.61 0.24 0.00 0.00 174.94 174.29 1k0s s GLU 35 N -3.88 4.00 -0.08 0.37 2.02 -1.26 0.24 118.70 120.11 1k0s s GLU 35 Ca 0.09 0.55 -0.21 0.00 0.02 0.00 0.00 54.97 55.42 1k0s s GLU 35 Cb 0.02 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1k0s s GLU 35 CO -0.06 0.38 0.60 0.21 0.02 0.00 0.00 175.26 176.42 1k0s s LYS 36 N -2.28 4.39 0.00 1.61 2.47 -1.23 -4.89 119.74 119.81 1k0s s LYS 36 Ca 0.43 0.69 0.00 0.00 -1.56 0.00 0.00 55.97 55.53 1k0s s LYS 36 Cb -0.14 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 32.80 1k0s s LYS 36 CO 0.20 0.12 0.00 0.45 0.16 0.00 0.00 175.35 176.28 1k0s n SER 37 N 3.67 0.00 -3.58 1.43 2.88 -1.26 -5.05 113.62 111.71 1k0s n SER 37 Ca -0.04 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.32 1k0s n SER 37 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1k0s n SER 37 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k0s n ASP 38 N 0.00 -5.68 -4.02 -3.46 -0.08 -1.26 -4.99 116.55 97.05 1k0s n ASP 38 Ca 0.00 -0.69 -0.08 0.00 -1.51 0.00 0.00 54.79 52.52 1k0s n ASP 38 Cb 0.00 -2.67 -0.10 0.00 2.34 0.00 0.00 41.12 40.69 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1k0s s ILE 39 N -2.93 0.18 -0.47 5.18 1.01 -1.26 -5.10 121.20 117.81 1k0s s ILE 39 Ca 0.02 -1.52 -0.43 0.00 0.00 0.00 0.00 60.65 58.72 1k0s s ILE 39 Cb -0.00 -1.26 -0.18 0.00 0.01 0.00 0.00 42.46 41.02 1k0s s ILE 39 CO 0.86 -0.84 1.60 0.41 0.00 0.00 0.00 174.94 176.97 1k0s n THR 40 N 0.35 0.00 0.12 2.92 -1.04 -1.25 -4.90 114.28 110.49 1k0s n THR 40 Ca -0.16 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.80 1k0s n THR 40 Cb 0.60 -0.47 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 1k0s n THR 40 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1k0s h PRO 41 N 5.48 -0.32 0.00 -2.82 0.11 -1.95 -3.40 132.00 129.10 1k0s h PRO 41 Ca -0.34 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 1k0s h PRO 41 Cb 1.29 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.37 1k0s h PRO 41 CO 0.94 -0.21 0.10 1.55 -0.21 0.00 0.00 178.00 180.16 1k0s n VAL 42 N -3.39 0.00 0.06 3.15 3.14 -1.22 -4.55 118.33 115.52 1k0s n VAL 42 Ca -0.04 -0.69 -0.07 0.00 -2.96 0.00 0.00 64.34 60.58 1k0s n VAL 42 Cb 0.13 0.91 0.09 0.00 -1.06 0.00 0.00 33.84 33.91 1k0s n VAL 42 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1k0s h PRO 43 N 1.81 0.35 0.00 1.45 0.11 -1.90 -3.49 132.00 130.34 1k0s h PRO 43 Ca -0.41 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1k0s h PRO 43 Cb 1.22 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1k0s h PRO 43 CO -0.08 0.84 0.00 1.17 -0.21 0.00 0.00 178.00 179.72 1k0s n LYS 44 N -3.90 0.00 -3.07 1.05 0.00 -1.26 -4.92 118.16 106.06 1k0s n LYS 44 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.15 1k0s n LYS 44 Cb 0.62 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.71 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1k0s n SER 45 N 2.70 -2.65 0.00 3.14 2.88 -1.26 -4.81 113.62 113.63 1k0s n SER 45 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1k0s n SER 45 Cb 0.00 -3.77 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 1k0s n SER 45 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1k0s n ARG 46 N -3.31 0.00 -1.78 -1.46 3.00 -1.26 -5.18 116.66 106.67 1k0s n ARG 46 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.66 1k0s n ARG 46 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1k0s n HIS 47 N -1.87 -1.07 -0.62 -0.14 8.25 -1.26 -5.03 115.22 113.47 1k0s n HIS 47 Ca 0.00 -0.45 -0.20 0.00 -0.26 0.00 0.00 57.72 56.82 1k0s n HIS 47 Cb 0.00 0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 1k0s n HIS 47 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1k0s n PHE 48 N -0.12 1.12 -4.51 4.41 7.35 -1.26 -4.80 117.46 119.65 1k0s n PHE 48 Ca -0.01 -1.64 -0.25 0.00 -0.76 0.00 0.00 57.45 54.78 1k0s n PHE 48 Cb 0.13 -1.45 -0.17 0.00 0.35 0.00 0.00 39.48 38.34 1k0s n PHE 48 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1k0s s VAL 49 N 3.90 1.16 0.10 -2.13 1.01 -1.26 -4.91 120.40 118.27 1k0s s VAL 49 Ca 0.34 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1k0s s VAL 49 Cb 0.09 -1.07 -0.21 0.00 0.00 0.00 0.00 36.38 35.18 1k0s s VAL 49 CO -0.01 0.37 1.24 1.05 0.00 0.00 0.00 175.10 177.74 1k0s h GLU 50 N 7.13 0.61 0.00 2.72 4.11 -1.83 -3.40 114.58 123.92 1k0s h GLU 50 Ca -0.31 -0.65 -0.28 0.00 0.07 0.00 0.00 59.36 58.20 1k0s h GLU 50 Cb 1.18 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 1k0s h GLU 50 CO 0.47 1.25 -0.23 0.41 0.07 0.00 0.00 179.01 180.98 1k0s n GLY 51 N 1.02 2.81 3.83 1.06 0.00 -0.94 -3.44 105.19 109.52 1k0s n GLY 51 Ca -0.09 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.85 0.00 -0.22 1.61 -7.23 -1.26 0.00 120.40 110.46 1k0s s VAL 52 Ca 0.25 -1.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 1k0s s VAL 52 Cb 0.00 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.47 1k0s s VAL 52 CO 0.18 0.00 0.57 0.27 -0.31 0.00 0.00 175.10 175.81 1k0s s ILE 53 N -2.94 -0.00 -0.00 -0.62 -5.25 -0.71 -3.84 121.20 107.83 1k0s s ILE 53 Ca 0.14 0.01 -0.20 0.00 -0.99 0.00 0.00 60.65 59.60 1k0s s ILE 53 Cb -0.05 -0.80 -0.05 0.00 2.95 0.00 0.00 42.46 44.50 1k0s s ILE 53 CO 0.10 0.00 0.59 0.21 -1.79 0.00 0.00 174.94 174.05 1k0s s ASN 54 N 0.58 6.97 -0.28 4.36 3.84 -1.26 -1.35 114.94 127.80 1k0s s ASN 54 Ca -0.02 1.16 -0.21 0.00 0.21 0.00 0.00 52.86 53.99 1k0s s ASN 54 Cb -0.05 -2.36 0.09 0.00 -0.55 0.00 0.00 41.25 38.38 1k0s s ASN 54 CO -0.03 0.11 0.77 -0.76 -2.79 0.00 0.00 177.10 174.39 1k0s s LEU 55 N -0.22 -0.77 -1.54 3.21 1.43 -0.50 -4.95 118.68 115.35 1k0s s LEU 55 Ca 0.31 1.36 -0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1k0s s LEU 55 Cb -0.18 2.32 0.05 0.00 0.03 0.00 0.00 46.19 48.41 1k0s s LEU 55 CO 0.17 -0.23 0.44 -2.11 0.23 0.00 0.00 176.35 174.86 1k0s n ARG 56 N 3.28 -2.68 -3.75 1.70 1.85 -1.26 -0.43 116.66 115.37 1k0s n ARG 56 Ca -0.16 0.32 -0.26 0.00 -1.00 0.00 0.00 57.85 56.74 1k0s n ARG 56 Cb 0.57 -4.50 0.05 0.00 -1.05 0.00 0.00 32.46 27.53 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1k0s n GLY 57 N -1.91 -0.49 3.59 2.89 0.00 -1.26 -4.98 105.19 103.03 1k0s n GLY 57 Ca -0.19 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.38 0.59 -0.10 1.61 1.81 0.42 -5.15 118.95 111.75 1k0s s ARG 58 Ca 0.55 1.31 -0.15 0.00 -1.72 0.00 0.00 55.73 55.71 1k0s s ARG 58 Cb -0.26 0.53 -0.05 0.00 -0.45 0.00 0.00 34.95 34.72 1k0s s ARG 58 CO 0.78 -0.18 0.39 0.42 -0.68 0.00 0.00 175.30 176.03 1k0s s ILE 59 N 2.36 5.20 -0.09 1.52 1.09 -1.26 -1.41 121.20 128.61 1k0s s ILE 59 Ca -0.07 0.76 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 1k0s s ILE 59 Cb -0.09 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 1k0s s ILE 59 CO -0.18 0.42 -0.08 0.27 -0.10 0.00 0.00 174.94 175.27 1k0s s ILE 60 N 0.08 3.57 -0.25 2.92 -5.25 -0.46 -4.90 121.20 116.92 1k0s s ILE 60 Ca 0.22 -0.51 -0.26 0.00 -0.99 0.00 0.00 60.65 59.10 1k0s s ILE 60 Cb -0.15 -2.48 0.00 0.00 2.95 0.00 0.00 42.46 42.79 1k0s s ILE 60 CO 0.09 0.57 0.92 -2.16 -1.79 0.00 0.00 174.94 172.57 1k0s s PRO 61 N -0.45 4.19 -0.06 0.37 0.04 -1.23 -1.74 135.00 136.12 1k0s s PRO 61 Ca 0.06 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1k0s s PRO 61 Cb -0.12 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 1k0s s PRO 61 CO 0.02 -0.59 0.31 0.14 0.04 0.00 0.00 177.00 176.92 1k0s s VAL 62 N 3.03 5.22 0.03 -0.36 -7.23 0.10 -1.32 120.40 119.86 1k0s s VAL 62 Ca 0.39 0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 61.16 1k0s s VAL 62 Cb -0.15 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 1k0s s VAL 62 CO 0.08 0.56 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.71 1k0s s VAL 63 N -0.83 0.14 -1.40 1.32 1.01 0.12 -2.23 120.40 118.53 1k0s s VAL 63 Ca 0.20 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1k0s s VAL 63 Cb -0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1k0s s VAL 63 CO 0.09 -0.57 2.35 -0.46 0.00 0.00 0.00 175.10 176.51 1k0s n ASN 64 N 1.38 4.81 -0.32 3.32 6.94 -1.26 -2.09 115.26 128.05 1k0s n ASN 64 Ca -0.23 -2.74 0.12 0.00 -0.02 0.00 0.00 54.58 51.72 1k0s n ASN 64 Cb 0.56 -1.55 0.34 0.00 -2.36 0.00 0.00 39.78 36.77 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1k0s h LEU 65 N 9.71 0.73 -2.00 -4.53 6.46 -1.84 0.47 115.31 124.31 1k0s h LEU 65 Ca 0.62 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.52 1k0s h LEU 65 Cb 0.55 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1k0s h LEU 65 CO 1.86 0.32 0.40 0.00 -0.62 0.00 0.00 178.44 180.40 1k0s h ALA 66 N 1.60 1.89 0.03 1.25 0.00 -1.84 0.39 119.26 122.59 1k0s h ALA 66 Ca 0.51 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.25 1k0s h ALA 66 Cb 0.81 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1k0s h ALA 66 CO -0.28 -0.54 -0.88 -0.22 0.00 0.00 0.00 179.25 177.33 1k0s h LYS 67 N 0.00 0.06 -0.96 0.00 3.11 -0.28 0.91 116.57 119.42 1k0s h LYS 67 Ca 0.14 -0.11 0.13 0.00 -2.81 0.00 0.00 60.65 57.99 1k0s h LYS 67 Cb 0.93 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 32.12 1k0s h LYS 67 CO -0.00 1.05 0.61 0.97 -2.81 0.00 0.00 179.45 179.27 1k0s h ILE 68 N -0.82 0.89 0.00 2.00 2.10 -0.67 -1.62 117.51 119.39 1k0s h ILE 68 Ca -0.22 -0.30 -0.00 0.00 1.08 0.00 0.00 64.86 65.42 1k0s h ILE 68 Cb 1.32 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1k0s h ILE 68 CO -0.07 0.16 -0.00 0.25 -1.08 0.00 0.00 178.15 177.41 1k0s h LEU 69 N 0.87 -0.00 0.00 2.19 7.12 -0.41 -3.50 115.31 121.58 1k0s h LEU 69 Ca 0.48 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1k0s h LEU 69 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1k0s h LEU 69 CO -0.24 0.93 0.00 0.61 -0.13 0.00 0.00 178.44 179.61 1k0s n GLY 70 N 1.58 2.15 0.82 3.75 0.00 0.31 -5.06 105.19 108.75 1k0s n GLY 70 Ca -0.09 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.13 -0.34 -0.61 -5.35 -1.25 -3.95 119.36 107.73 1k0s n ILE 71 Ca 0.00 0.23 0.27 0.00 -0.27 0.00 0.00 62.75 62.98 1k0s n ILE 71 Cb 0.00 -0.39 0.57 0.00 -1.74 0.00 0.00 39.64 38.08 1k0s n ILE 71 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1k0s h SER 72 N -1.14 0.34 -0.40 7.28 0.02 -1.87 -3.43 113.55 114.35 1k0s h SER 72 Ca -0.05 0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.73 1k0s h SER 72 Cb 0.86 0.03 0.04 0.00 0.14 0.00 0.00 62.40 63.47 1k0s h SER 72 CO 0.02 0.03 -0.22 0.33 -1.14 0.00 0.00 176.83 175.86 1k0s n PHE 73 N -4.56 -0.24 -2.42 3.45 7.35 -1.25 -4.88 117.46 114.91 1k0s n PHE 73 Ca 0.27 0.36 0.02 0.00 -0.76 0.00 0.00 57.45 57.34 1k0s n PHE 73 Cb 1.02 -0.74 0.00 0.00 0.35 0.00 0.00 39.48 40.12 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 0.77 0.62 0.00 -2.13 -0.08 -1.26 -4.97 116.55 109.50 1k0s n ASP 74 Ca 0.07 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.34 1k0s n ASP 74 Cb 0.10 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k0s n GLU 75 N 0.35 0.00 -0.31 -0.67 1.02 -1.26 -4.57 120.64 115.19 1k0s n GLU 75 Ca -0.01 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.31 1k0s n GLU 75 Cb 1.05 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.84 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 0.00 0.23 -0.11 3.49 3.07 -2.00 0.33 115.11 120.12 1k0s h GLN 76 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1k0s h GLN 76 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1k0s h GLN 76 CO 0.00 0.15 0.00 1.63 0.09 0.00 0.00 178.83 180.70 1k0s n LYS 77 N -5.17 1.14 -2.17 0.06 5.02 -1.26 -4.90 118.16 110.88 1k0s n LYS 77 Ca 0.26 -0.21 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 1k0s n LYS 77 Cb 0.82 -1.08 -0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1k0s s MET 78 N -1.87 3.76 0.02 1.97 -1.94 0.12 -4.06 119.30 117.30 1k0s s MET 78 Ca 0.04 1.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.92 1k0s s MET 78 Cb 0.02 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 34.37 1k0s s MET 78 CO 0.03 -0.58 0.00 1.63 -0.01 0.00 0.00 175.02 176.08 1k0s n LYS 79 N -0.36 0.00 -1.64 2.03 5.02 0.23 -4.83 118.16 118.61 1k0s n LYS 79 Ca 0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 1k0s n LYS 79 Cb 0.47 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.57 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k0s n SER 80 N -2.54 0.62 -3.91 4.39 2.88 0.35 -3.57 113.62 111.85 1k0s n SER 80 Ca 0.00 -1.59 -0.09 0.00 -1.33 0.00 0.00 58.87 55.86 1k0s n SER 80 Cb 0.00 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 1k0s n SER 80 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1k0s s ILE 81 N -2.11 0.15 0.00 2.46 1.01 0.14 -1.94 121.20 120.92 1k0s s ILE 81 Ca 0.43 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1k0s s ILE 81 Cb -0.02 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1k0s s ILE 81 CO 0.29 -0.70 -0.05 -0.63 0.00 0.00 0.00 174.94 173.85 1k0s s ILE 82 N -3.68 0.36 0.18 2.92 1.01 0.20 -1.20 121.20 120.98 1k0s s ILE 82 Ca 0.04 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.49 1k0s s ILE 82 Cb 0.05 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1k0s s ILE 82 CO -0.10 0.03 -0.19 -0.69 0.00 0.00 0.00 174.94 174.00 1k0s s VAL 83 N -0.27 2.67 0.36 2.92 1.01 0.29 0.15 120.40 127.53 1k0s s VAL 83 Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 61.98 59.98 1k0s s VAL 83 Cb -0.03 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.10 1k0s s VAL 83 CO -0.00 -0.09 0.74 0.00 0.00 0.00 0.00 175.10 175.75 1k0s s ALA 84 N -1.62 -0.66 -0.02 5.51 0.00 0.27 0.32 121.76 125.56 1k0s s ALA 84 Ca 0.22 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1k0s s ALA 84 Cb -0.08 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1k0s s ALA 84 CO 0.11 -0.97 -0.06 -0.98 0.00 0.00 0.00 175.76 173.87 1k0s s ARG 85 N -2.74 0.67 -0.22 0.00 1.04 -0.81 0.25 118.95 117.14 1k0s s ARG 85 Ca 0.16 -0.18 -0.03 0.00 -1.04 0.00 0.00 55.73 54.64 1k0s s ARG 85 Cb -0.05 -0.66 0.11 0.00 -2.04 0.00 0.00 34.95 32.31 1k0s s ARG 85 CO 0.11 0.04 0.32 0.95 -0.04 0.00 0.00 175.30 176.69 1k0s s THR 86 N 0.33 -0.50 -1.46 4.99 -4.23 0.39 -4.82 115.64 110.33 1k0s s THR 86 Ca -0.04 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1k0s s THR 86 Cb -0.08 -0.74 0.02 0.00 1.34 0.00 0.00 72.50 73.04 1k0s s THR 86 CO -0.00 -0.13 0.43 1.17 -0.54 0.00 0.00 174.62 175.55 1k0s n LYS 87 N 5.35 -3.07 -2.40 3.99 4.81 -1.26 -0.20 118.16 125.38 1k0s n LYS 87 Ca -0.05 0.37 -0.08 0.00 -0.87 0.00 0.00 58.31 57.68 1k0s n LYS 87 Cb 0.50 -4.53 0.01 0.00 0.02 0.00 0.00 35.03 31.03 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1k0s n ASP 88 N -2.93 -3.14 -3.84 3.14 8.00 -1.26 -5.02 116.55 111.49 1k0s n ASP 88 Ca -0.26 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 54.89 1k0s n ASP 88 Cb 0.66 -2.21 -0.16 0.00 -0.02 0.00 0.00 41.12 39.39 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k0s s VAL 89 N -2.63 1.01 -0.72 2.53 1.01 0.72 -5.06 120.40 117.25 1k0s s VAL 89 Ca 0.07 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1k0s s VAL 89 Cb -0.03 -1.36 0.08 0.00 0.00 0.00 0.00 36.38 35.07 1k0s s VAL 89 CO 0.09 -0.10 1.00 -1.61 0.00 0.00 0.00 175.10 174.48 1k0s s GLU 90 N 1.64 3.22 0.34 2.72 2.02 -1.26 0.15 118.70 127.53 1k0s s GLU 90 Ca -0.03 -1.04 -0.09 0.00 0.02 0.00 0.00 54.97 53.83 1k0s s GLU 90 Cb -0.17 -4.40 -0.06 0.00 0.10 0.00 0.00 34.13 29.60 1k0s s GLU 90 CO -0.07 -1.81 0.67 0.08 0.02 0.00 0.00 175.26 174.15 1k0s s VAL 91 N 3.77 4.88 0.02 2.63 1.01 0.14 -3.57 120.40 129.27 1k0s s VAL 91 Ca 0.24 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1k0s s VAL 91 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1k0s s VAL 91 CO 0.06 -0.38 -0.15 -0.83 0.00 0.00 0.00 175.10 173.79 1k0s s GLY 92 N -3.01 0.81 -0.07 4.51 0.00 -0.43 0.95 107.32 110.08 1k0s s GLY 92 Ca 0.48 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.42 1k0s s GLY 92 CO 0.29 -0.73 -0.07 -0.12 0.00 0.00 0.00 173.10 172.47 1k0s s PHE 93 N -0.66 1.14 -0.07 1.90 5.36 0.12 0.10 117.98 125.88 1k0s s PHE 93 Ca 0.04 -0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 1k0s s PHE 93 Cb -0.07 -0.96 -0.04 0.00 -0.34 0.00 0.00 43.02 41.61 1k0s s PHE 93 CO 0.01 -0.33 0.61 -1.17 -1.46 0.00 0.00 175.22 172.88 1k0s s LEU 94 N 1.23 4.32 0.00 6.12 2.96 -0.89 0.61 118.68 133.03 1k0s s LEU 94 Ca -0.05 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1k0s s LEU 94 Cb -0.14 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 1k0s s LEU 94 CO -0.02 -0.04 0.13 1.33 -1.32 0.00 0.00 176.35 176.42 1k0s n VAL 95 N 3.56 0.00 0.00 1.68 0.24 -0.82 -4.51 118.33 118.48 1k0s n VAL 95 Ca -0.04 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 1k0s n VAL 95 Cb 0.51 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.14 0.00 -3.82 -1.34 2.03 -1.26 0.75 116.55 110.78 1k0s n ASP 96 Ca 0.02 0.09 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 1k0s n ASP 96 Cb 0.32 -0.17 -0.16 0.00 -0.72 0.00 0.00 41.12 40.38 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1k0s s ARG 97 N -0.34 1.03 -0.33 -0.67 3.52 -1.26 0.13 118.95 121.03 1k0s s ARG 97 Ca 0.00 -0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 54.99 1k0s s ARG 97 Cb 0.00 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.40 1k0s s ARG 97 CO 0.00 -0.52 0.41 0.54 -0.81 0.00 0.00 175.30 174.92 1k0s s VAL 98 N 1.74 5.12 0.33 7.11 0.11 -1.26 -0.31 120.40 133.25 1k0s s VAL 98 Ca -0.00 0.21 0.17 0.00 -2.93 0.00 0.00 61.98 59.42 1k0s s VAL 98 Cb -0.16 -3.85 0.13 0.00 -1.53 0.00 0.00 36.38 30.98 1k0s s VAL 98 CO -0.07 -0.09 1.85 -0.07 -3.33 0.00 0.00 175.10 173.38 1k0s h LEU 99 N 8.83 0.00 0.00 2.54 -0.00 -0.57 -3.47 115.31 122.64 1k0s h LEU 99 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1k0s h LEU 99 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1k0s h LEU 99 CO 0.71 0.33 0.00 0.61 -0.00 0.00 0.00 178.44 180.09 1k0s n GLY 100 N -0.34 1.27 3.62 0.83 0.00 -0.39 -4.92 105.19 105.26 1k0s n GLY 100 Ca -0.02 -0.88 -0.48 0.00 0.00 0.00 0.00 46.02 44.65 1k0s n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k0s n VAL 101 N 0.00 0.61 -4.03 1.61 0.24 -1.25 -0.60 118.33 114.91 1k0s n VAL 101 Ca 0.00 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1k0s n VAL 101 Cb 0.00 -1.11 -0.14 0.00 -1.47 0.00 0.00 33.84 31.12 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1k0s s LEU 102 N 0.50 1.99 -1.27 1.34 2.96 0.40 -4.78 118.68 119.83 1k0s s LEU 102 Ca 0.75 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 1k0s s LEU 102 Cb -0.79 -0.15 0.16 0.00 0.50 0.00 0.00 46.19 45.91 1k0s s LEU 102 CO 0.48 0.03 1.75 -2.11 -1.32 0.00 0.00 176.35 175.18 1k0s n ARG 103 N 3.03 3.50 -2.58 1.98 1.85 -1.26 -1.36 116.66 121.82 1k0s n ARG 103 Ca -0.13 -3.59 -0.25 0.00 -1.00 0.00 0.00 57.85 52.88 1k0s n ARG 103 Cb 0.59 -2.99 0.03 0.00 -1.05 0.00 0.00 32.46 29.03 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 0.99 3.62 0.29 8.89 -1.09 0.13 -4.86 121.20 129.17 1k0s s ILE 104 Ca 0.41 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1k0s s ILE 104 Cb 0.06 -3.41 -0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1k0s s ILE 104 CO 0.00 -0.37 0.04 0.35 -1.23 0.00 0.00 174.94 173.73 1k0s n THR 105 N -2.43 0.00 -3.20 2.92 -2.24 -1.26 0.16 114.28 108.23 1k0s n THR 105 Ca 0.04 -1.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.09 1k0s n THR 105 Cb 0.58 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1k0s n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k0s n GLU 106 N -0.70 1.08 -0.93 -0.78 2.13 -1.23 -4.73 120.64 115.47 1k0s n GLU 106 Ca -0.09 -3.48 -0.07 0.00 0.66 0.00 0.00 57.16 54.17 1k0s n GLU 106 Cb 0.39 -1.49 0.25 0.00 0.27 0.00 0.00 31.44 30.86 1k0s n GLU 106 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1k0s n ASN 107 N 0.99 3.92 0.00 4.31 5.03 -1.26 -4.48 115.26 123.77 1k0s n ASN 107 Ca 0.23 -3.41 0.00 0.00 0.87 0.00 0.00 54.58 52.28 1k0s n ASN 107 Cb 0.54 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 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 -0.65 0.00 -0.06 3.52 0.00 -1.26 -4.87 117.38 114.07 1k0s n GLN 108 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 57.00 57.30 1k0s n GLN 108 Cb 1.30 -0.13 -0.04 0.00 0.00 0.00 0.00 30.24 31.37 1k0s n GLN 108 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1k0s h LEU 109 N 0.00 0.28 0.00 2.61 3.38 -1.89 -3.04 115.31 116.64 1k0s h LEU 109 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1k0s h LEU 109 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1k0s h LEU 109 CO 0.00 0.37 0.00 -0.67 0.09 0.00 0.00 178.44 178.23 1k0s n ASP 110 N -4.83 0.64 0.00 -0.43 2.03 -1.26 -4.34 116.55 108.35 1k0s n ASP 110 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1k0s n ASP 110 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1k0s n ASP 110 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1k0s n LEU 111 N 0.00 0.00 0.00 -2.67 7.94 -1.26 -2.20 117.00 118.81 1k0s n LEU 111 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1k0s n LEU 111 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1k0s n LEU 111 CO 0.00 0.00 0.00 1.07 -1.11 0.00 0.00 177.39 177.35 1k0s n THR 112 N 0.00 0.00 0.00 1.96 5.66 -1.26 -5.04 114.28 115.60 1k0s n THR 112 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1k0s n THR 112 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1k0s n THR 112 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1k0s n ASN 113 N 0.00 0.00 -2.31 1.09 0.23 -0.93 -5.01 115.26 108.33 1k0s n ASN 113 Ca 0.00 0.66 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 1k0s n ASN 113 Cb 0.00 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1k0s n ASN 113 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1k0s n VAL 114 N -1.09-13.55 -3.65 3.53 0.31 -1.15 -5.00 118.33 97.74 1k0s n VAL 114 Ca 0.00 3.23 -0.04 0.00 -0.01 0.00 0.00 64.34 67.52 1k0s n VAL 114 Cb 0.00 -6.05 -0.07 0.00 -0.91 0.00 0.00 33.84 26.81 1k0s n VAL 114 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1k0s s SER 115 N -0.59 -0.13 0.30 4.52 0.15 -1.23 -5.03 113.70 111.69 1k0s s SER 115 Ca 0.00 0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.93 1k0s s SER 115 Cb 0.00 0.25 0.65 0.00 -1.71 0.00 0.00 66.02 65.20 1k0s s SER 115 CO 0.00 -0.04 1.83 -2.24 1.20 0.00 0.00 173.24 173.99 1k0s h ASP 116 N 3.33 0.84 0.00 5.45 2.03 -1.90 -3.45 116.42 122.72 1k0s h ASP 116 Ca -0.27 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1k0s h ASP 116 Cb 1.19 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1k0s h ASP 116 CO 0.17 0.42 0.00 0.29 -1.03 0.00 0.00 179.24 179.09 1k0s n LYS 117 N -4.63 0.00 0.01 4.15 4.76 -1.26 -3.91 118.16 117.28 1k0s n LYS 117 Ca 0.19 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 1k0s n LYS 117 Cb 0.42 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.51 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 -0.08 0.00 2.13 3.04 -1.81 -3.49 116.94 116.73 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 0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.54 1k0s h PHE 118 CO 0.00 0.45 0.00 0.41 -2.02 0.00 0.00 178.31 177.15 1k0s n GLY 119 N 0.48 0.66 0.00 2.40 0.00 -1.26 -4.97 105.19 102.51 1k0s n GLY 119 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.17 1.61 -0.00 -1.26 -4.88 118.16 113.45 1k0s n LYS 120 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 1k0s n LYS 120 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 35.03 35.10 1k0s n LYS 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1k0s h LYS 121 N 0.00 0.35 0.00 -1.58 3.11 -1.95 -3.45 116.57 113.06 1k0s h LYS 121 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1k0s h LYS 121 Cb 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1k0s h LYS 121 CO 0.00 0.23 0.00 -1.13 -2.81 0.00 0.00 179.45 175.74 1k0s n SER 122 N -5.01 0.00 0.00 4.20 3.41 -1.26 -3.23 113.62 111.73 1k0s n SER 122 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1k0s n SER 122 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1k0s n SER 122 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1k0s n LYS 123 N 0.00 0.00 -3.14 4.33 3.00 -1.25 -4.74 118.16 116.36 1k0s n LYS 123 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1k0s n LYS 123 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1k0s s GLY 124 N -0.72 2.39 -0.22 3.14 0.00 0.87 -4.36 107.32 108.41 1k0s s GLY 124 Ca 0.00 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.51 1k0s s GLY 124 CO 0.00 0.29 0.76 -2.27 0.00 0.00 0.00 173.10 171.88 1k0s s LEU 125 N -2.77 -0.68 0.21 0.66 1.98 -1.25 -1.79 118.68 115.04 1k0s s LEU 125 Ca 0.52 1.20 -0.22 0.00 -2.89 0.00 0.00 54.13 52.73 1k0s s LEU 125 Cb -0.12 2.40 0.05 0.00 0.66 0.00 0.00 46.19 49.18 1k0s s LEU 125 CO 0.18 -0.32 0.67 0.54 -1.89 0.00 0.00 176.35 175.53 1k0s s VAL 126 N -0.01 0.00 -0.28 1.68 0.11 0.16 -4.74 120.40 117.32 1k0s s VAL 126 Ca -0.02 -0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 58.40 1k0s s VAL 126 Cb -0.04 -1.45 0.10 0.00 -1.53 0.00 0.00 36.38 33.47 1k0s s VAL 126 CO 0.02 0.00 0.83 -1.59 -3.33 0.00 0.00 175.10 171.03 1k0s s LYS 127 N -3.79 0.62 -0.05 1.54 -2.85 -1.26 0.47 119.74 114.41 1k0s s LYS 127 Ca 0.06 0.93 -0.29 0.00 -1.00 0.00 0.00 55.97 55.67 1k0s s LYS 127 Cb -0.03 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 36.05 1k0s s LYS 127 CO -0.04 -0.11 0.90 0.99 0.10 0.00 0.00 175.35 177.19 1k0s s THR 128 N 1.05 0.00 -1.27 3.79 2.01 0.16 -4.95 115.64 116.43 1k0s s THR 128 Ca -0.05 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1k0s s THR 128 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1k0s s THR 128 CO -0.12 0.00 1.08 0.47 -0.69 0.00 0.00 174.62 175.36 1k0s n ASP 129 N 0.12 -3.88 -2.25 3.53 8.00 -1.26 -1.54 116.55 119.27 1k0s n ASP 129 Ca -0.10 -0.59 -0.10 0.00 0.71 0.00 0.00 54.79 54.71 1k0s n ASP 129 Cb 0.60 -5.08 -0.01 0.00 -0.02 0.00 0.00 41.12 36.61 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 -1.51 -0.23 2.81 0.44 0.00 -1.26 -4.91 105.19 100.53 1k0s n GLY 130 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.65 0.07 0.02 1.61 1.70 -0.59 -5.14 118.95 111.97 1k0s s ARG 131 Ca 0.00 0.10 -0.20 0.00 -0.47 0.00 0.00 55.73 55.16 1k0s s ARG 131 Cb 0.00 -0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.07 1k0s s ARG 131 CO 0.00 -0.11 0.59 -0.51 -1.08 0.00 0.00 175.30 174.19 1k0s s LEU 132 N 0.75 4.46 -0.08 -1.89 1.02 -1.26 -0.66 118.68 121.02 1k0s s LEU 132 Ca -0.07 1.21 0.03 0.00 0.02 0.00 0.00 54.13 55.32 1k0s s LEU 132 Cb -0.10 -2.93 0.01 0.00 0.02 0.00 0.00 46.19 43.20 1k0s s LEU 132 CO -0.02 0.16 -0.15 -0.63 0.02 0.00 0.00 176.35 175.73 1k0s s ILE 133 N -0.50 1.37 0.11 -0.59 1.01 0.18 0.65 121.20 123.41 1k0s s ILE 133 Ca 0.31 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1k0s s ILE 133 Cb -0.19 -1.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.98 1k0s s ILE 133 CO 0.18 0.41 0.59 -0.63 0.00 0.00 0.00 174.94 175.49 1k0s s ILE 134 N 0.63 4.72 0.06 2.92 1.09 0.16 0.39 121.20 131.17 1k0s s ILE 134 Ca -0.15 1.18 0.07 0.00 -1.10 0.00 0.00 60.65 60.66 1k0s s ILE 134 Cb -0.16 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1k0s s ILE 134 CO 0.04 0.46 -0.21 -0.47 -0.10 0.00 0.00 174.94 174.67 1k0s s TYR 135 N -1.22 1.80 -0.05 3.97 5.04 -0.74 0.82 117.35 126.98 1k0s s TYR 135 Ca 0.32 -0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 54.51 1k0s s TYR 135 Cb -0.19 -1.05 0.01 0.00 0.35 0.00 0.00 41.96 41.09 1k0s s TYR 135 CO 0.20 0.12 0.15 -1.17 -1.34 0.00 0.00 175.55 173.51 1k0s s LEU 136 N -1.36 1.42 -0.30 6.97 0.20 0.18 -0.09 118.68 125.69 1k0s s LEU 136 Ca 0.07 0.26 0.10 0.00 0.69 0.00 0.00 54.13 55.25 1k0s s LEU 136 Cb -0.09 0.55 0.63 0.00 -0.43 0.00 0.00 46.19 46.85 1k0s s LEU 136 CO 0.02 -0.09 1.66 -0.90 -0.29 0.00 0.00 176.35 176.75 1k0s n ASP 137 N 2.83 3.91 -0.69 3.68 5.68 -1.26 -2.20 116.55 128.50 1k0s n ASP 137 Ca -0.14 -3.37 -0.01 0.00 -0.50 0.00 0.00 54.79 50.78 1k0s n ASP 137 Cb 0.59 -0.69 -0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k0s n ILE 138 N -0.60 0.00 -0.04 2.12 3.06 -1.26 -4.75 119.36 117.89 1k0s n ILE 138 Ca 0.37 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.62 1k0s n ILE 138 Cb 1.23 -0.10 -0.00 0.00 0.54 0.00 0.00 39.64 41.31 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 -0.02 0.70 9.51 3.58 -1.95 -2.64 116.42 125.61 1k0s h ASP 139 Ca -0.02 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.27 1k0s h ASP 139 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1k0s h ASP 139 CO 0.02 0.42 -0.76 0.11 -2.88 0.00 0.00 179.24 176.16 1k0s h LYS 140 N -0.88 0.04 -0.08 0.28 1.79 -1.85 -2.54 116.57 113.33 1k0s h LYS 140 Ca -0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1k0s h LYS 140 Cb 0.01 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1k0s h LYS 140 CO 0.00 0.78 -0.04 0.97 -1.08 0.00 0.00 179.45 180.08 1k0s h ILE 141 N 0.02 1.32 -0.37 1.86 -0.00 -1.73 -2.31 117.51 116.31 1k0s h ILE 141 Ca -0.01 -1.04 -0.01 0.00 -0.00 0.00 0.00 64.86 63.80 1k0s h ILE 141 Cb 1.33 1.85 -0.02 0.00 -0.00 0.00 0.00 36.82 39.99 1k0s h ILE 141 CO 0.10 0.29 0.18 -0.29 -0.00 0.00 0.00 178.15 178.43 1k0s h ILE 142 N -0.21 1.16 -0.86 2.19 6.09 -1.50 0.33 117.51 124.71 1k0s h ILE 142 Ca 0.02 -0.45 0.21 0.00 -1.37 0.00 0.00 64.86 63.27 1k0s h ILE 142 Cb 0.48 0.78 -0.12 0.00 0.47 0.00 0.00 36.82 38.42 1k0s h ILE 142 CO 0.01 0.17 0.32 -0.33 -3.07 0.00 0.00 178.15 175.25 1k0s h GLU 143 N 0.46 0.33 -0.24 2.19 4.39 -1.42 0.54 114.58 120.83 1k0s h GLU 143 Ca 0.13 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 1k0s h GLU 143 Cb 0.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1k0s h GLU 143 CO -0.02 0.22 -0.61 0.93 -1.16 0.00 0.00 179.01 178.37 1k0s h GLU 144 N 0.34 0.80 -1.08 2.33 4.39 -0.78 -0.85 114.58 119.74 1k0s h GLU 144 Ca 0.53 -0.55 0.33 0.00 0.34 0.00 0.00 59.36 60.01 1k0s h GLU 144 Cb 1.00 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 29.59 1k0s h GLU 144 CO -0.55 1.17 0.65 0.82 -1.16 0.00 0.00 179.01 179.94 1k0s h ILE 145 N 0.60 0.32 0.00 3.13 2.04 0.40 0.54 117.51 124.54 1k0s h ILE 145 Ca -0.00 -0.10 -0.26 0.00 1.00 0.00 0.00 64.86 65.49 1k0s h ILE 145 Cb 1.21 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1k0s h ILE 145 CO 0.13 0.05 -1.75 0.35 0.00 0.00 0.00 178.15 176.93 1k0s n THR 146 N -4.89 1.51 1.22 -0.27 -2.24 -0.85 -4.24 114.28 104.52 1k0s n THR 146 Ca 0.31 -0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 1k0s n THR 146 Cb 1.05 -2.08 0.07 0.00 -2.10 0.00 0.00 70.33 67.27 1k0s n THR 146 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1k0s n VAL 147 N -4.37 0.33 -0.27 2.28 3.14 -0.33 -4.17 118.33 114.94 1k0s n VAL 147 Ca -0.36 -0.24 -0.05 0.00 -2.96 0.00 0.00 64.34 60.73 1k0s n VAL 147 Cb 0.70 -0.07 0.06 0.00 -1.06 0.00 0.00 33.84 33.47 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 0.90 1.02 -1.49 1.45 3.64 -0.09 -3.45 116.57 118.55 1k0s h LYS 148 Ca 0.00 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1k0s h LYS 148 Cb 0.40 -0.21 -0.28 0.00 -0.41 0.00 0.00 32.23 31.73 1k0s h LYS 148 CO 0.03 0.73 0.49 -1.83 -2.27 0.00 0.00 179.45 176.60 1k0s s GLU 149 N -5.96 0.38 0.00 1.90 -1.05 -1.26 -5.05 118.70 107.66 1k0s s GLU 149 Ca -0.13 0.54 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 1k0s s GLU 149 Cb 0.15 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1k0s s GLU 149 CO 0.79 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 177.35 1k0s n GLY 150 N 2.78 0.01 0.00 -3.83 0.00 -1.26 -4.59 105.19 98.31 1k0s n GLY 150 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1k0s n GLY 150 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87