#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 3.17 1.79 -2.07 -3.45 116.57 116.26 1k0s h LYS 2 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1k0s h LYS 2 Cb 0.00 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1k0s h LYS 2 CO 0.00 0.30 0.00 2.41 -1.08 0.00 0.00 179.45 181.08 1k0s n THR 3 N -4.87 0.00 -0.26 -0.16 -1.04 -1.26 -4.17 114.28 102.51 1k0s n THR 3 Ca -0.04 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.91 1k0s n THR 3 Cb 0.10 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.89 -3.58 -4.42 8.10 -2.11 -3.47 115.31 110.72 1k0s h LEU 4 Ca 0.00 -0.09 -0.47 0.00 0.11 0.00 0.00 57.88 57.43 1k0s h LEU 4 Cb 0.00 -0.23 0.01 0.00 -0.44 0.00 0.00 40.66 40.01 1k0s h LEU 4 CO 0.00 0.73 -0.94 0.00 -4.11 0.00 0.00 178.44 174.12 1k0s n ALA 5 N -2.35 -2.67 -2.34 0.17 0.00 -1.26 -4.86 120.51 107.21 1k0s n ALA 5 Ca 0.06 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1k0s n ALA 5 Cb 0.09 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 1k0s n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k0s s ASP 6 N -3.27 6.95 0.01 0.00 1.01 -1.26 -4.94 116.67 115.17 1k0s s ASP 6 Ca 0.26 1.95 -0.25 0.00 0.71 0.00 0.00 52.55 55.22 1k0s s ASP 6 Cb -0.13 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 41.07 1k0s s ASP 6 CO 0.90 -0.66 1.31 0.00 0.21 0.00 0.00 175.17 176.93 1k0s h ALA 7 N 7.72 -0.25 -6.37 5.23 0.00 -1.89 -3.47 119.26 120.23 1k0s h ALA 7 Ca -0.35 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 53.90 1k0s h ALA 7 Cb 1.16 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1k0s h ALA 7 CO 0.90 -0.48 -0.81 1.28 0.00 0.00 0.00 179.25 180.14 1k0s n LEU 8 N -5.06 -2.47 0.00 0.00 4.77 -1.26 -4.67 117.00 108.32 1k0s n LEU 8 Ca -0.09 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1k0s n LEU 8 Cb 0.23 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 1k0s n LEU 8 CO 0.32 0.42 0.00 1.17 -1.33 0.00 0.00 177.39 177.96 1k0s n LYS 9 N -4.49 0.00 -4.12 3.23 4.81 -1.26 -4.91 118.16 111.43 1k0s n LYS 9 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.25 1k0s n LYS 9 Cb 0.58 -0.01 -0.10 0.00 0.02 0.00 0.00 35.03 35.53 1k0s n LYS 9 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1k0s s GLU 10 N -1.79 0.89 -0.04 1.64 2.02 -1.26 -3.69 118.70 116.47 1k0s s GLU 10 Ca 0.00 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 53.61 1k0s s GLU 10 Cb 0.00 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.51 1k0s s GLU 10 CO 0.00 -0.25 0.06 0.12 0.02 0.00 0.00 175.26 175.21 1k0s s PHE 11 N -4.01 0.01 -0.16 1.61 5.36 0.35 -4.53 117.98 116.61 1k0s s PHE 11 Ca 0.20 0.24 -0.21 0.00 -0.96 0.00 0.00 56.93 56.20 1k0s s PHE 11 Cb 0.07 -0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 42.40 1k0s s PHE 11 CO -0.01 -0.15 0.62 -2.00 -1.46 0.00 0.00 175.22 172.23 1k0s s GLU 12 N 1.61 4.28 0.21 10.12 2.12 -1.26 0.22 118.70 136.00 1k0s s GLU 12 Ca -0.03 0.65 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 1k0s s GLU 12 Cb -0.12 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 1k0s s GLU 12 CO -0.03 -0.12 0.42 0.54 -0.54 0.00 0.00 175.26 175.52 1k0s s VAL 13 N 1.50 0.02 -0.03 3.70 0.11 -0.75 -4.41 120.40 120.54 1k0s s VAL 13 Ca 0.30 -1.32 -0.21 0.00 -2.93 0.00 0.00 61.98 57.83 1k0s s VAL 13 Cb -0.16 -2.01 -0.05 0.00 -1.53 0.00 0.00 36.38 32.63 1k0s s VAL 13 CO 0.12 -0.10 0.60 -0.22 -3.33 0.00 0.00 175.10 172.17 1k0s s LEU 14 N -2.98 4.38 0.06 2.54 1.98 -0.90 0.11 118.68 123.87 1k0s s LEU 14 Ca 0.19 1.13 -0.07 0.00 -2.89 0.00 0.00 54.13 52.50 1k0s s LEU 14 Cb 0.01 -2.93 -0.01 0.00 0.66 0.00 0.00 46.19 43.92 1k0s s LEU 14 CO 0.05 0.05 0.13 -0.94 -1.89 0.00 0.00 176.35 173.75 1k0s s SER 15 N 0.07 0.19 0.07 3.68 1.04 0.77 -0.98 113.70 118.54 1k0s s SER 15 Ca 0.32 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.93 1k0s s SER 15 Cb -0.18 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1k0s s SER 15 CO 0.17 -0.63 0.40 0.72 0.98 0.00 0.00 173.24 174.87 1k0s s PHE 16 N -3.41 -0.22 -0.52 5.02 -0.71 0.17 0.58 117.98 118.89 1k0s s PHE 16 Ca 0.02 0.06 -0.23 0.00 -1.04 0.00 0.00 56.93 55.74 1k0s s PHE 16 Cb 0.03 0.22 0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1k0s s PHE 16 CO -0.08 -0.61 0.84 -2.00 -1.34 0.00 0.00 175.22 172.02 1k0s s GLU 17 N -3.00 3.29 -0.60 1.99 2.12 0.16 -0.63 118.70 122.02 1k0s s GLU 17 Ca -0.02 -0.40 -0.22 0.00 0.36 0.00 0.00 54.97 54.69 1k0s s GLU 17 Cb 0.00 -4.05 0.06 0.00 0.26 0.00 0.00 34.13 30.41 1k0s s GLU 17 CO -0.06 -1.36 0.89 0.42 -0.54 0.00 0.00 175.26 174.61 1k0s s ILE 18 N 3.51 4.46 -0.78 -3.70 -1.09 0.25 -4.05 121.20 119.80 1k0s s ILE 18 Ca 0.26 -0.23 -0.23 0.00 -2.23 0.00 0.00 60.65 58.23 1k0s s ILE 18 Cb -0.14 -4.57 0.03 0.00 -1.58 0.00 0.00 42.46 36.20 1k0s s ILE 18 CO 0.18 -1.24 0.44 -0.90 -1.23 0.00 0.00 174.94 172.19 1k0s n ASP 19 N 7.32 -2.66 0.00 3.58 5.75 -1.26 -1.24 116.55 128.04 1k0s n ASP 19 Ca -0.03 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1k0s n ASP 19 Cb 0.46 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k0s n GLU 20 N -3.58 0.00 -1.58 0.11 -0.58 -1.26 -4.78 120.64 108.97 1k0s n GLU 20 Ca -0.08 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.52 1k0s n GLU 20 Cb 0.36 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.32 1k0s n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k0s n GLN 21 N 0.00 -0.09 -4.29 3.49 0.00 -0.37 -5.04 117.38 111.08 1k0s n GLN 21 Ca 0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 57.00 55.28 1k0s n GLN 21 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 30.24 29.66 1k0s n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k0s s ALA 22 N -3.29 3.17 -0.15 2.61 0.00 -1.06 0.87 121.76 123.91 1k0s s ALA 22 Ca 0.41 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 1k0s s ALA 22 Cb -0.02 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.36 1k0s s ALA 22 CO 0.27 0.27 0.37 -1.17 0.00 0.00 0.00 175.76 175.51 1k0s s LEU 23 N -3.65 0.39 0.04 0.00 2.96 0.19 0.35 118.68 118.96 1k0s s LEU 23 Ca 0.31 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1k0s s LEU 23 Cb -0.07 1.26 -0.03 0.00 0.50 0.00 0.00 46.19 47.86 1k0s s LEU 23 CO 0.20 -0.15 -0.04 0.00 -1.32 0.00 0.00 176.35 175.04 1k0s s ALA 24 N 0.58 0.36 0.01 5.97 0.00 0.16 -0.65 121.76 128.19 1k0s s ALA 24 Ca -0.03 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1k0s s ALA 24 Cb -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1k0s s ALA 24 CO -0.04 -0.17 -0.11 -0.06 0.00 0.00 0.00 175.76 175.38 1k0s s PHE 25 N -2.03 0.97 -0.07 0.00 0.40 -0.15 0.27 117.98 117.37 1k0s s PHE 25 Ca -0.09 -0.25 -0.36 0.00 -0.60 0.00 0.00 56.93 55.64 1k0s s PHE 25 Cb -0.06 -0.61 -0.14 0.00 0.51 0.00 0.00 43.02 42.73 1k0s s PHE 25 CO -0.03 -0.01 1.72 -3.47 0.70 0.00 0.00 175.22 174.14 1k0s n ASP 26 N 2.47 2.89 0.00 1.36 2.03 -0.86 -2.11 116.55 122.33 1k0s n ASP 26 Ca -0.15 1.04 0.03 0.00 0.52 0.00 0.00 54.79 56.22 1k0s n ASP 26 Cb 0.56 -1.30 0.12 0.00 -0.72 0.00 0.00 41.12 39.78 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1k0s n VAL 27 N 4.34 1.40 -0.05 5.18 0.24 -1.26 -2.21 118.33 125.97 1k0s n VAL 27 Ca 0.22 0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 62.75 1k0s n VAL 27 Cb 0.24 -1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 31.29 1k0s n VAL 27 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1k0s h ASP 28 N 0.00 0.28 0.11 -1.34 3.58 -1.91 -3.31 116.42 113.83 1k0s h ASP 28 Ca 0.00 -0.33 -0.24 0.00 0.42 0.00 0.00 57.03 56.88 1k0s h ASP 28 Cb 0.08 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1k0s h ASP 28 CO 0.00 0.54 -1.20 -1.13 -2.88 0.00 0.00 179.24 174.57 1k0s h ASN 29 N 0.01 0.37 -2.55 2.28 -0.73 -1.80 -3.46 115.58 109.70 1k0s h ASN 29 Ca 0.04 -0.87 -0.52 0.00 1.87 0.00 0.00 56.30 56.82 1k0s h ASN 29 Cb 0.41 -0.12 0.04 0.00 0.27 0.00 0.00 38.32 38.92 1k0s h ASN 29 CO 0.01 1.53 1.10 -0.63 -0.37 0.00 0.00 177.43 179.07 1k0s s ILE 30 N -2.45 2.48 -0.09 2.57 -1.09 -0.94 -2.36 121.20 119.32 1k0s s ILE 30 Ca -0.19 0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1k0s s ILE 30 Cb 0.03 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1k0s s ILE 30 CO 0.77 0.00 -0.07 -0.33 -1.23 0.00 0.00 174.94 174.09 1k0s h GLU 31 N 8.39 0.00 -1.92 2.79 5.08 -1.27 -3.44 114.58 124.20 1k0s h GLU 31 Ca -0.46 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.03 1k0s h GLU 31 Cb 1.22 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.28 1k0s h GLU 31 CO 0.95 0.00 0.57 0.00 -1.00 0.00 0.00 179.01 179.53 1k0s s MET 32 N -1.64 0.66 0.48 2.33 0.23 -1.19 -5.03 119.30 115.15 1k0s s MET 32 Ca -0.05 -0.13 -0.04 0.00 -1.03 0.00 0.00 55.69 54.43 1k0s s MET 32 Cb 0.01 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1k0s s MET 32 CO 0.08 -0.27 0.76 0.14 -2.03 0.00 0.00 175.02 173.70 1k0s s VAL 33 N -2.39 4.54 -0.25 5.16 -7.23 -1.26 -1.22 120.40 117.75 1k0s s VAL 33 Ca 0.04 -0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1k0s s VAL 33 Cb -0.01 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.28 1k0s s VAL 33 CO -0.05 -0.65 0.63 0.27 -0.31 0.00 0.00 175.10 174.99 1k0s s ILE 34 N -2.71 -0.00 -1.34 -0.62 -4.36 0.22 -4.91 121.20 107.49 1k0s s ILE 34 Ca 0.48 0.01 -0.07 0.00 -0.26 0.00 0.00 60.65 60.81 1k0s s ILE 34 Cb -0.10 -0.91 0.12 0.00 1.25 0.00 0.00 42.46 42.82 1k0s s ILE 34 CO 0.43 0.01 2.25 -1.84 0.24 0.00 0.00 174.94 176.03 1k0s n GLU 35 N 3.78 4.13 -3.16 0.37 -0.00 -1.26 0.10 120.64 124.61 1k0s n GLU 35 Ca -0.18 -3.35 -0.30 0.00 -0.00 0.00 0.00 57.16 53.32 1k0s n GLU 35 Cb 0.57 -2.77 -0.04 0.00 -0.00 0.00 0.00 31.44 29.21 1k0s n GLU 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1k0s s LYS 36 N -0.22 3.77 -0.03 3.44 -0.14 -1.26 -4.90 119.74 120.39 1k0s s LYS 36 Ca 0.50 0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 55.16 1k0s s LYS 36 Cb 0.15 -2.53 0.06 0.00 -1.68 0.00 0.00 37.83 33.83 1k0s s LYS 36 CO -0.06 0.14 0.56 -1.12 -0.76 0.00 0.00 175.35 174.11 1k0s s SER 37 N -2.88 -0.51 -1.51 2.83 0.01 -1.26 -4.45 113.70 105.92 1k0s s SER 37 Ca 0.49 0.50 -0.10 0.00 1.31 0.00 0.00 55.95 58.14 1k0s s SER 37 Cb -0.11 0.47 0.07 0.00 0.21 0.00 0.00 66.02 66.67 1k0s s SER 37 CO 0.27 -0.57 0.80 -0.67 0.41 0.00 0.00 173.24 173.48 1k0s n ASP 38 N 0.99 -3.14 0.17 2.44 2.03 -1.26 -4.91 116.55 112.87 1k0s n ASP 38 Ca -0.20 -0.87 -0.07 0.00 0.52 0.00 0.00 54.79 54.16 1k0s n ASP 38 Cb 0.57 -3.53 -0.04 0.00 -0.72 0.00 0.00 41.12 37.41 1k0s n ASP 38 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1k0s h ILE 39 N -1.88 0.00 -1.88 5.18 2.04 -1.91 -3.44 117.51 115.63 1k0s h ILE 39 Ca -0.60 -0.52 -0.46 0.00 1.00 0.00 0.00 64.86 64.28 1k0s h ILE 39 Cb 1.37 0.00 -0.31 0.00 -0.74 0.00 0.00 36.82 37.14 1k0s h ILE 39 CO 0.67 0.00 -0.84 0.41 0.00 0.00 0.00 178.15 178.39 1k0s n THR 40 N -4.76 -0.81 -0.06 -0.27 -1.04 -1.26 -4.76 114.28 101.32 1k0s n THR 40 Ca -0.06 -2.76 -0.06 0.00 -2.04 0.00 0.00 64.05 59.13 1k0s n THR 40 Cb 0.19 -0.86 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 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 5.25 0.00 -0.06 -2.82 0.11 -1.85 -3.34 132.00 129.28 1k0s h PRO 41 Ca 0.18 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.09 1k0s h PRO 41 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1k0s h PRO 41 CO 0.28 0.39 -0.81 -0.39 -0.21 0.00 0.00 178.00 177.26 1k0s h VAL 42 N -1.00 1.37 0.00 3.15 -1.51 -1.95 -3.19 116.25 113.12 1k0s h VAL 42 Ca -0.00 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.24 1k0s h VAL 42 Cb 0.40 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1k0s h VAL 42 CO -0.00 0.67 0.00 -2.65 -1.23 0.00 0.00 177.57 174.36 1k0s n PRO 43 N -3.82 0.83 0.00 5.19 -0.02 -1.26 -4.41 135.00 131.51 1k0s n PRO 43 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1k0s n PRO 43 Cb 0.76 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1k0s n PRO 43 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1k0s n LYS 44 N -0.28 0.00 -4.29 -0.52 4.81 -1.21 -4.81 118.16 111.86 1k0s n LYS 44 Ca 0.00 0.64 -0.36 0.00 -0.87 0.00 0.00 58.31 57.72 1k0s n LYS 44 Cb 0.08 -1.29 -0.05 0.00 0.02 0.00 0.00 35.03 33.79 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1k0s n SER 45 N -1.93 -2.08 0.00 3.14 2.88 -1.26 -4.65 113.62 109.73 1k0s n SER 45 Ca 0.00 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 1k0s n SER 45 Cb 0.00 -2.36 0.00 0.00 -0.75 0.00 0.00 64.21 61.10 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k0s n ARG 46 N -4.32 0.00 0.00 -1.46 5.12 -1.26 -4.78 116.66 109.95 1k0s n ARG 46 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1k0s n ARG 46 Cb 0.53 -0.01 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1k0s n HIS 47 N 0.00 0.00 -0.03 -1.55 8.25 -1.26 -3.98 115.22 116.65 1k0s n HIS 47 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1k0s n HIS 47 Cb 0.05 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.05 1k0s n HIS 47 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1k0s h PHE 48 N 0.00 0.22 -0.14 4.41 -1.00 -1.93 -3.40 116.94 115.09 1k0s h PHE 48 Ca 0.00 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 1k0s h PHE 48 Cb 0.00 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 1k0s h PHE 48 CO 0.00 0.88 0.13 0.08 -1.61 0.00 0.00 178.31 177.78 1k0s s VAL 49 N -3.27 3.07 0.31 -0.55 1.01 -1.26 -4.36 120.40 115.35 1k0s s VAL 49 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1k0s s VAL 49 Cb 0.01 -4.02 0.27 0.00 0.00 0.00 0.00 36.38 32.65 1k0s s VAL 49 CO 0.73 -0.12 1.94 -0.33 0.00 0.00 0.00 175.10 177.32 1k0s h GLU 50 N 11.52 1.01 -3.83 2.72 4.39 -1.66 -3.43 114.58 125.31 1k0s h GLU 50 Ca 0.03 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1k0s h GLU 50 Cb 0.99 -0.23 -0.12 0.00 -0.10 0.00 0.00 28.75 29.29 1k0s h GLU 50 CO 1.03 0.67 -0.28 0.20 -1.16 0.00 0.00 179.01 179.47 1k0s s GLY 51 N -3.37 0.44 0.24 -3.84 0.00 -0.83 -4.04 107.32 95.91 1k0s s GLY 51 Ca -0.11 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.55 1k0s s GLY 51 CO 0.79 -0.78 0.78 -1.34 0.00 0.00 0.00 173.10 172.56 1k0s s VAL 52 N -3.97 0.00 -0.22 1.40 -7.23 -1.26 0.44 120.40 109.56 1k0s s VAL 52 Ca 0.17 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.31 1k0s s VAL 52 Cb 0.03 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 35.09 1k0s s VAL 52 CO 0.01 0.00 0.58 0.27 -0.31 0.00 0.00 175.10 175.64 1k0s s ILE 53 N -3.73 -0.00 -0.14 -0.62 -4.36 -0.81 -4.28 121.20 107.26 1k0s s ILE 53 Ca 0.11 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 1k0s s ILE 53 Cb -0.04 -0.81 0.02 0.00 1.25 0.00 0.00 42.46 42.88 1k0s s ILE 53 CO 0.05 0.00 -0.12 0.21 0.24 0.00 0.00 174.94 175.32 1k0s s ASN 54 N 0.58 2.56 -0.25 4.36 3.84 -1.25 -2.03 114.94 122.76 1k0s s ASN 54 Ca -0.02 -0.45 -0.26 0.00 0.21 0.00 0.00 52.86 52.34 1k0s s ASN 54 Cb -0.05 -1.08 0.08 0.00 -0.55 0.00 0.00 41.25 39.65 1k0s s ASN 54 CO -0.03 -0.08 0.77 -0.76 -2.79 0.00 0.00 177.10 174.21 1k0s s LEU 55 N 1.55 -0.69 -1.53 3.21 1.43 -0.44 -4.93 118.68 117.27 1k0s s LEU 55 Ca 0.05 1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 1k0s s LEU 55 Cb -0.13 2.38 0.06 0.00 0.03 0.00 0.00 46.19 48.52 1k0s s LEU 55 CO -0.10 -0.27 0.48 0.54 0.23 0.00 0.00 176.35 177.23 1k0s n ARG 56 N 2.42 -2.88 -3.59 1.70 1.74 -1.26 -0.43 116.66 114.36 1k0s n ARG 56 Ca -0.14 0.35 -0.23 0.00 -0.77 0.00 0.00 57.85 57.05 1k0s n ARG 56 Cb 0.55 -4.58 0.08 0.00 -1.02 0.00 0.00 32.46 27.49 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 -1.87 -0.51 2.67 -0.13 0.00 -1.26 -5.00 105.19 99.09 1k0s n GLY 57 Ca -0.18 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.17 0.03 -0.06 1.61 0.52 0.43 -5.14 118.95 110.16 1k0s s ARG 58 Ca 0.49 0.26 0.06 0.00 -0.52 0.00 0.00 55.73 56.02 1k0s s ARG 58 Cb -0.22 -0.81 -0.01 0.00 0.52 0.00 0.00 34.95 34.43 1k0s s ARG 58 CO 0.74 -0.39 -0.25 0.42 0.02 0.00 0.00 175.30 175.84 1k0s s ILE 59 N 2.14 2.08 -0.06 1.52 1.09 -1.26 -1.33 121.20 125.38 1k0s s ILE 59 Ca 0.04 -1.06 -0.04 0.00 -1.10 0.00 0.00 60.65 58.50 1k0s s ILE 59 Cb -0.13 -1.75 0.02 0.00 -1.06 0.00 0.00 42.46 39.54 1k0s s ILE 59 CO -0.04 0.57 0.14 0.27 -0.10 0.00 0.00 174.94 175.78 1k0s s ILE 60 N -0.14 -0.02 -0.25 2.92 -5.25 -0.86 -4.63 121.20 112.97 1k0s s ILE 60 Ca -0.04 0.07 -0.09 0.00 -0.99 0.00 0.00 60.65 59.60 1k0s s ILE 60 Cb -0.14 -0.22 -0.04 0.00 2.95 0.00 0.00 42.46 45.01 1k0s s ILE 60 CO 0.04 0.03 0.13 -2.16 -1.79 0.00 0.00 174.94 171.19 1k0s s PRO 61 N 0.53 3.87 -0.17 0.37 0.04 -1.22 -1.93 135.00 136.49 1k0s s PRO 61 Ca -0.04 -0.37 -0.09 0.00 0.04 0.00 0.00 61.00 60.54 1k0s s PRO 61 Cb -0.05 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1k0s s PRO 61 CO -0.02 -0.08 0.14 0.14 0.04 0.00 0.00 177.00 177.22 1k0s s VAL 62 N 1.39 5.44 0.04 -0.36 -7.23 0.17 -1.17 120.40 118.68 1k0s s VAL 62 Ca 0.06 0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.43 1k0s s VAL 62 Cb -0.15 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1k0s s VAL 62 CO 0.06 0.50 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.65 1k0s s VAL 63 N -0.08 0.16 -0.78 1.32 1.01 -0.90 -1.96 120.40 119.17 1k0s s VAL 63 Ca 0.11 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 1k0s s VAL 63 Cb -0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 36.38 35.17 1k0s s VAL 63 CO 0.00 -0.75 1.95 0.59 0.00 0.00 0.00 175.10 176.89 1k0s n ASN 64 N 0.73 3.17 0.28 3.32 5.03 -1.26 -1.89 115.26 124.63 1k0s n ASN 64 Ca -0.18 -2.54 0.11 0.00 0.87 0.00 0.00 54.58 52.84 1k0s n ASN 64 Cb 0.59 -1.08 0.61 0.00 -1.02 0.00 0.00 39.78 38.88 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1k0s h LEU 65 N 12.04 0.00 -0.57 3.41 6.46 -1.82 0.67 115.31 135.49 1k0s h LEU 65 Ca 0.43 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 58.07 1k0s h LEU 65 Cb 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1k0s h LEU 65 CO 1.78 0.00 -0.57 0.00 -0.62 0.00 0.00 178.44 179.03 1k0s h ALA 66 N 1.21 0.83 0.21 1.25 0.00 -1.82 -2.00 119.26 118.92 1k0s h ALA 66 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.05 1k0s h ALA 66 Cb 0.72 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1k0s h ALA 66 CO 0.00 0.71 -1.60 1.57 0.00 0.00 0.00 179.25 179.93 1k0s h LYS 67 N 0.00 0.43 -1.00 0.00 5.09 0.16 2.03 116.57 123.28 1k0s h LYS 67 Ca -0.01 -0.74 0.06 0.00 0.09 0.00 0.00 60.65 60.05 1k0s h LYS 67 Cb 1.18 0.28 -0.06 0.00 0.10 0.00 0.00 32.23 33.73 1k0s h LYS 67 CO 0.07 1.34 0.65 0.97 -2.09 0.00 0.00 179.45 180.40 1k0s h ILE 68 N 0.12 1.12 0.08 0.07 2.10 -1.45 -0.82 117.51 118.72 1k0s h ILE 68 Ca -0.29 -0.41 -0.15 0.00 1.08 0.00 0.00 64.86 65.08 1k0s h ILE 68 Cb 2.12 -0.20 0.02 0.00 -1.09 0.00 0.00 36.82 37.67 1k0s h ILE 68 CO 0.22 0.22 -0.64 0.25 -1.08 0.00 0.00 178.15 177.12 1k0s h LEU 69 N 1.21 0.43 0.00 2.19 7.12 -1.40 -3.50 115.31 121.37 1k0s h LEU 69 Ca 0.42 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.55 1k0s h LEU 69 Cb 0.11 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.10 1k0s h LEU 69 CO -0.16 1.27 0.00 0.61 -0.13 0.00 0.00 178.44 180.04 1k0s n GLY 70 N 1.43 1.83 0.84 3.75 0.00 0.69 -5.06 105.19 108.67 1k0s n GLY 70 Ca -0.12 -0.72 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 -0.09 -0.33 -0.61 -5.35 -1.24 -4.04 119.36 107.70 1k0s n ILE 71 Ca 0.00 0.22 0.20 0.00 -0.27 0.00 0.00 62.75 62.90 1k0s n ILE 71 Cb 0.00 -0.39 0.45 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.15 0.56 -0.14 7.28 0.87 -1.92 -3.44 113.55 115.61 1k0s h SER 72 Ca -0.04 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1k0s h SER 72 Cb 0.96 0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1k0s h SER 72 CO 0.02 0.11 -0.08 0.33 -0.53 0.00 0.00 176.83 176.68 1k0s n PHE 73 N -4.73 -0.11 0.10 2.24 7.35 -1.26 -4.94 117.46 116.11 1k0s n PHE 73 Ca 0.26 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1k0s n PHE 73 Cb 0.80 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.39 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 0.26 0.29 0.00 -2.13 -0.08 -1.26 -4.96 116.55 108.66 1k0s n ASP 74 Ca 0.02 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1k0s n ASP 74 Cb 0.04 0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1k0s n ASP 74 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1k0s n GLU 75 N -3.39 0.00 -0.33 -0.67 0.28 -1.26 -5.00 120.64 110.27 1k0s n GLU 75 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.18 1k0s n GLU 75 Cb 0.03 0.00 0.38 0.00 1.43 0.00 0.00 31.44 33.28 1k0s n GLU 75 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1k0s h GLN 76 N 0.00 0.44 0.06 3.44 4.20 -2.02 -0.80 115.11 120.44 1k0s h GLN 76 Ca 0.00 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.45 1k0s h GLN 76 Cb 0.00 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 27.70 1k0s h GLN 76 CO 0.00 0.29 -0.95 0.87 -0.67 0.00 0.00 178.83 178.37 1k0s h LYS 77 N 0.46 0.54 -6.27 1.46 1.79 -1.99 -3.46 116.57 109.09 1k0s h LYS 77 Ca 0.64 -0.66 -0.62 0.00 -2.18 0.00 0.00 60.65 57.83 1k0s h LYS 77 Cb 1.28 0.21 0.14 0.00 -1.58 0.00 0.00 32.23 32.27 1k0s h LYS 77 CO -0.53 1.27 -0.40 -1.33 -1.08 0.00 0.00 179.45 177.39 1k0s n MET 78 N -3.98 0.55 -2.48 3.15 2.81 -0.31 -4.61 117.12 112.25 1k0s n MET 78 Ca -0.12 0.20 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1k0s n MET 78 Cb 0.85 -1.44 -0.02 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.73 0.10 -3.19 0.03 2.85 0.37 -4.83 118.16 114.24 1k0s n LYS 79 Ca 0.12 -0.53 -0.02 0.00 -1.05 0.00 0.00 58.31 56.84 1k0s n LYS 79 Cb 0.37 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.76 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1k0s n SER 80 N -0.45 -1.22 -3.70 -5.58 3.41 0.24 -4.79 113.62 101.54 1k0s n SER 80 Ca -0.25 -1.62 -0.13 0.00 -0.26 0.00 0.00 58.87 56.60 1k0s n SER 80 Cb 0.61 1.98 -0.09 0.00 -0.26 0.00 0.00 64.21 66.45 1k0s n SER 80 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k0s s ILE 81 N -2.20 0.00 0.30 -1.33 1.01 0.12 -1.95 121.20 117.15 1k0s s ILE 81 Ca 0.17 -0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.89 1k0s s ILE 81 Cb -0.02 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1k0s s ILE 81 CO 0.04 -0.00 0.16 -0.63 0.00 0.00 0.00 174.94 174.51 1k0s s ILE 82 N 0.23 3.67 0.05 2.92 1.01 0.25 0.73 121.20 130.06 1k0s s ILE 82 Ca -0.00 -1.57 0.04 0.00 0.00 0.00 0.00 60.65 59.11 1k0s s ILE 82 Cb -0.04 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1k0s s ILE 82 CO 0.01 -0.27 -0.12 -0.69 0.00 0.00 0.00 174.94 173.87 1k0s s VAL 83 N -2.29 0.89 0.33 2.92 1.01 -0.36 -1.71 120.40 121.19 1k0s s VAL 83 Ca 0.36 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1k0s s VAL 83 Cb -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1k0s s VAL 83 CO 0.24 -0.18 0.63 0.00 0.00 0.00 0.00 175.10 175.79 1k0s s ALA 84 N -1.09 -0.32 -0.05 5.51 0.00 0.24 -0.86 121.76 125.20 1k0s s ALA 84 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1k0s s ALA 84 Cb -0.09 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1k0s s ALA 84 CO 0.01 -0.92 -0.09 -0.98 0.00 0.00 0.00 175.76 173.79 1k0s s ARG 85 N -3.14 1.20 -0.21 0.00 1.70 -0.99 0.30 118.95 117.80 1k0s s ARG 85 Ca 0.20 -0.27 -0.04 0.00 -0.47 0.00 0.00 55.73 55.15 1k0s s ARG 85 Cb -0.03 -1.07 0.10 0.00 -0.57 0.00 0.00 34.95 33.38 1k0s s ARG 85 CO 0.12 0.01 0.24 0.95 -1.08 0.00 0.00 175.30 175.54 1k0s s THR 86 N 0.64 -0.35 -1.40 4.99 -4.23 0.37 -4.83 115.64 110.83 1k0s s THR 86 Ca -0.11 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 1k0s s THR 86 Cb -0.14 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1k0s s THR 86 CO 0.02 -0.22 0.40 1.17 -0.54 0.00 0.00 174.62 175.45 1k0s n LYS 87 N 5.32 -2.95 -2.36 3.99 4.81 -1.26 -0.29 118.16 125.42 1k0s n LYS 87 Ca -0.05 0.38 -0.10 0.00 -0.87 0.00 0.00 58.31 57.67 1k0s n LYS 87 Cb 0.49 -4.40 0.00 0.00 0.02 0.00 0.00 35.03 31.15 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 -2.95 -3.40 -3.85 3.14 9.92 -1.26 -5.02 116.55 113.14 1k0s n ASP 88 Ca -0.30 -0.06 -0.29 0.00 -0.53 0.00 0.00 54.79 53.61 1k0s n ASP 88 Cb 0.68 -2.51 -0.16 0.00 -0.64 0.00 0.00 41.12 38.49 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 -2.62 1.08 -0.72 2.53 1.01 0.60 -5.06 120.40 117.23 1k0s s VAL 89 Ca 0.06 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 1k0s s VAL 89 Cb -0.03 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 34.97 1k0s s VAL 89 CO 0.07 -0.16 1.00 -1.61 0.00 0.00 0.00 175.10 174.40 1k0s s GLU 90 N 1.60 3.22 0.34 2.72 2.02 -1.25 0.14 118.70 127.48 1k0s s GLU 90 Ca -0.04 -1.04 -0.09 0.00 0.02 0.00 0.00 54.97 53.83 1k0s s GLU 90 Cb -0.18 -4.39 -0.06 0.00 0.10 0.00 0.00 34.13 29.59 1k0s s GLU 90 CO -0.07 -1.81 0.68 0.08 0.02 0.00 0.00 175.26 174.15 1k0s s VAL 91 N 3.77 4.87 0.16 2.63 1.01 0.15 -3.41 120.40 129.57 1k0s s VAL 91 Ca 0.24 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.72 1k0s s VAL 91 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1k0s s VAL 91 CO 0.06 -0.39 -0.12 -0.83 0.00 0.00 0.00 175.10 173.82 1k0s s GLY 92 N -3.02 1.17 -0.07 4.51 0.00 -0.32 0.83 107.32 110.42 1k0s s GLY 92 Ca 0.49 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 1k0s s GLY 92 CO 0.29 -1.58 0.17 -0.12 0.00 0.00 0.00 173.10 171.86 1k0s s PHE 93 N -2.95 -0.20 -0.20 1.90 5.36 -0.70 -2.12 117.98 119.08 1k0s s PHE 93 Ca 0.16 0.51 -0.21 0.00 -0.96 0.00 0.00 56.93 56.43 1k0s s PHE 93 Cb -0.00 0.00 -0.02 0.00 -0.34 0.00 0.00 43.02 42.66 1k0s s PHE 93 CO 0.03 -0.14 0.66 -1.17 -1.46 0.00 0.00 175.22 173.14 1k0s s LEU 94 N 0.70 4.14 0.00 6.12 2.96 -0.79 0.86 118.68 132.67 1k0s s LEU 94 Ca -0.05 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 1k0s s LEU 94 Cb -0.07 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1k0s s LEU 94 CO -0.04 -0.30 0.09 1.33 -1.32 0.00 0.00 176.35 176.11 1k0s n VAL 95 N 4.76 0.00 -0.11 1.68 0.24 -0.82 -4.57 118.33 119.52 1k0s n VAL 95 Ca -0.00 -1.26 -0.17 0.00 -2.04 0.00 0.00 64.34 60.87 1k0s n VAL 95 Cb 0.49 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.91 1.94 -3.68 -1.34 2.03 -1.26 0.14 116.55 112.48 1k0s n ASP 96 Ca -0.01 0.34 -0.11 0.00 0.52 0.00 0.00 54.79 55.53 1k0s n ASP 96 Cb 0.32 -0.78 -0.11 0.00 -0.72 0.00 0.00 41.12 39.83 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 -2.73 0.29 -0.31 -0.67 6.06 -1.26 -4.10 118.95 116.23 1k0s s ARG 97 Ca -0.32 0.84 -0.07 0.00 -2.50 0.00 0.00 55.73 53.68 1k0s s ARG 97 Cb 0.08 0.10 0.02 0.00 0.06 0.00 0.00 34.95 35.21 1k0s s ARG 97 CO 0.45 -0.22 0.10 0.54 -2.50 0.00 0.00 175.30 173.66 1k0s s VAL 98 N 2.09 3.98 0.46 7.11 0.11 -1.26 0.38 120.40 133.27 1k0s s VAL 98 Ca -0.04 -0.83 0.19 0.00 -2.93 0.00 0.00 61.98 58.38 1k0s s VAL 98 Cb -0.11 -3.12 0.23 0.00 -1.53 0.00 0.00 36.38 31.85 1k0s s VAL 98 CO -0.11 -0.02 2.05 -0.07 -3.33 0.00 0.00 175.10 173.62 1k0s h LEU 99 N 8.25 0.00 0.00 2.54 -0.00 -0.21 -3.47 115.31 122.42 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 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1k0s h LEU 99 CO 0.61 0.14 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 1k0s n GLY 100 N -1.00 1.72 3.69 0.83 0.00 -0.28 -4.89 105.19 105.26 1k0s n GLY 100 Ca -0.02 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 1k0s n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k0s n VAL 101 N 0.00 0.02 -4.17 1.61 0.31 -1.25 -0.16 118.33 114.68 1k0s n VAL 101 Ca 0.00 -0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1k0s n VAL 101 Cb 0.00 -1.69 -0.13 0.00 -0.91 0.00 0.00 33.84 31.11 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1k0s s LEU 102 N 0.97 2.10 -1.23 7.52 2.96 0.29 -4.79 118.68 126.50 1k0s s LEU 102 Ca 0.77 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 1k0s s LEU 102 Cb -0.62 -0.29 0.16 0.00 0.50 0.00 0.00 46.19 45.95 1k0s s LEU 102 CO 0.36 -0.01 1.55 -2.11 -1.32 0.00 0.00 176.35 174.82 1k0s n ARG 103 N 2.41 3.40 -2.42 1.98 1.85 -1.26 -1.81 116.66 120.81 1k0s n ARG 103 Ca -0.16 -3.74 -0.25 0.00 -1.00 0.00 0.00 57.85 52.69 1k0s n ARG 103 Cb 0.57 -3.05 0.14 0.00 -1.05 0.00 0.00 32.46 29.06 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 1.55 2.06 0.20 8.89 -1.09 0.13 -4.87 121.20 128.07 1k0s s ILE 104 Ca 0.43 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1k0s s ILE 104 Cb 0.00 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1k0s s ILE 104 CO 0.01 0.00 0.19 0.35 -1.23 0.00 0.00 174.94 174.26 1k0s n THR 105 N -3.12 0.00 -3.42 2.92 -2.24 -1.26 0.13 114.28 107.29 1k0s n THR 105 Ca 0.16 -1.42 -0.26 0.00 -2.27 0.00 0.00 64.05 60.26 1k0s n THR 105 Cb 0.60 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.38 1.69 -0.52 -0.78 2.13 -1.24 -4.52 120.64 117.02 1k0s n GLU 106 Ca 0.04 -4.09 0.08 0.00 0.66 0.00 0.00 57.16 53.86 1k0s n GLU 106 Cb 0.37 -1.90 0.29 0.00 0.27 0.00 0.00 31.44 30.46 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 1.34 4.21 0.03 4.31 5.03 -1.26 -4.56 115.26 124.37 1k0s n ASN 107 Ca 0.26 -2.96 0.00 0.00 0.87 0.00 0.00 54.58 52.75 1k0s n ASN 107 Cb 0.44 -0.56 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 -0.23 0.00 -1.05 3.52 1.13 -1.26 -4.85 117.38 114.64 1k0s n GLN 108 Ca 0.22 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.14 1k0s n GLN 108 Cb 0.93 -0.15 -0.12 0.00 0.11 0.00 0.00 30.24 31.01 1k0s n GLN 108 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1k0s n LEU 109 N -2.93 5.55 -4.74 1.08 -0.00 -1.26 -2.72 117.00 111.99 1k0s n LEU 109 Ca 0.00 -3.29 -0.42 0.00 -0.00 0.00 0.00 56.01 52.31 1k0s n LEU 109 Cb 0.00 -1.34 -0.02 0.00 -0.00 0.00 0.00 43.42 42.06 1k0s n LEU 109 CO 0.00 1.62 1.13 -0.62 -0.00 0.00 0.00 177.39 179.51 1k0s s ASP 110 N 1.59 6.64 0.00 1.45 2.15 -1.26 -3.30 116.67 123.94 1k0s s ASP 110 Ca 0.57 2.65 0.00 0.00 0.43 0.00 0.00 52.55 56.20 1k0s s ASP 110 Cb 0.30 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1k0s s ASP 110 CO -0.05 -0.72 0.00 0.18 -0.17 0.00 0.00 175.17 174.41 1k0s n LEU 111 N 2.69 0.00 -2.65 -1.34 4.77 -1.26 -3.40 117.00 115.81 1k0s n LEU 111 Ca 0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1k0s n LEU 111 Cb 0.40 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.60 1k0s n LEU 111 CO 0.61 0.00 0.78 1.07 -1.33 0.00 0.00 177.39 178.52 1k0s n THR 112 N 0.00 0.00 -1.71 -5.08 5.66 -1.24 -5.11 114.28 106.80 1k0s n THR 112 Ca 0.00 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 1k0s n THR 112 Cb 0.00 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 1k0s n THR 112 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1k0s n ASN 113 N 0.46 -6.77 0.04 1.09 2.85 -1.21 -4.97 115.26 106.76 1k0s n ASN 113 Ca -0.08 1.07 -0.22 0.00 -0.11 0.00 0.00 54.58 55.24 1k0s n ASN 113 Cb 0.76 -3.71 -0.14 0.00 1.24 0.00 0.00 39.78 37.93 1k0s n ASN 113 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1k0s h VAL 114 N 2.81 1.07 -1.76 3.44 2.07 -1.71 -3.46 116.25 118.71 1k0s h VAL 114 Ca 0.00 -2.46 0.09 0.00 0.82 0.00 0.00 66.70 65.15 1k0s h VAL 114 Cb 0.00 2.80 -0.21 0.00 -1.52 0.00 0.00 31.29 32.36 1k0s h VAL 114 CO 0.00 0.75 0.53 -0.44 0.02 0.00 0.00 177.57 178.43 1k0s s SER 115 N -7.12 -0.37 0.43 0.57 0.01 -1.26 -5.03 113.70 100.93 1k0s s SER 115 Ca -0.18 0.29 0.19 0.00 1.31 0.00 0.00 55.95 57.57 1k0s s SER 115 Cb 0.04 0.32 1.13 0.00 0.21 0.00 0.00 66.02 67.73 1k0s s SER 115 CO 0.80 -0.42 1.85 0.44 0.41 0.00 0.00 173.24 176.33 1k0s h ASP 116 N 2.40 0.36 0.00 2.44 3.32 -1.89 -3.45 116.42 119.60 1k0s h ASP 116 Ca -0.19 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1k0s h ASP 116 Cb 1.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1k0s h ASP 116 CO 0.31 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 178.26 1k0s n LYS 117 N -4.49 0.00 -0.13 3.56 4.76 -1.26 -2.75 118.16 117.85 1k0s n LYS 117 Ca 0.20 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.57 1k0s n LYS 117 Cb 0.74 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.95 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 0.42 0.00 2.13 3.57 -1.82 -3.45 116.94 117.79 1k0s h PHE 118 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1k0s h PHE 118 Cb 0.00 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1k0s h PHE 118 CO 0.00 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 1k0s n GLY 119 N -1.22 2.99 0.00 2.40 0.00 -1.26 -4.91 105.19 103.18 1k0s n GLY 119 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1k0s n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k0s n LYS 120 N 0.00 0.00 0.00 1.61 4.81 -1.26 -4.94 118.16 118.38 1k0s n LYS 120 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1k0s n LYS 120 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1k0s n LYS 121 N 0.00 0.00 -0.67 1.64 3.00 -1.26 -5.09 118.16 115.78 1k0s n LYS 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k0s n LYS 121 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 34.89 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 -0.50 0.00 -0.01 3.14 3.41 -1.26 -2.51 113.62 115.89 1k0s n SER 122 Ca 0.00 -0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.09 1k0s n SER 122 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.04 0.00 4.33 1.63 -1.80 -3.44 116.57 117.25 1k0s h LYS 123 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1k0s h LYS 123 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1k0s h LYS 123 CO 0.00 0.53 0.00 0.41 -3.45 0.00 0.00 179.45 176.94 1k0s n GLY 124 N 0.53 -0.54 3.05 5.01 0.00 -0.85 -4.28 105.19 108.12 1k0s n GLY 124 Ca -0.09 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 1.84 0.27 0.99 1.98 -1.26 -2.05 118.68 120.45 1k0s s LEU 125 Ca 0.00 -0.25 0.11 0.00 -2.89 0.00 0.00 54.13 51.10 1k0s s LEU 125 Cb 0.00 -0.70 -0.05 0.00 0.66 0.00 0.00 46.19 46.10 1k0s s LEU 125 CO 0.00 0.10 -0.13 0.54 -1.89 0.00 0.00 176.35 174.97 1k0s s VAL 126 N 0.11 2.83 -0.28 1.68 0.11 0.18 -4.87 120.40 120.16 1k0s s VAL 126 Ca -0.03 -2.23 -0.23 0.00 -2.93 0.00 0.00 61.98 56.57 1k0s s VAL 126 Cb -0.09 -2.50 0.09 0.00 -1.53 0.00 0.00 36.38 32.35 1k0s s VAL 126 CO 0.01 -0.39 0.83 -1.59 -3.33 0.00 0.00 175.10 170.62 1k0s s LYS 127 N -3.57 0.68 -0.11 1.54 0.00 -1.26 -0.62 119.74 116.40 1k0s s LYS 127 Ca 0.30 0.90 -0.30 0.00 0.00 0.00 0.00 55.97 56.87 1k0s s LYS 127 Cb -0.06 0.29 0.10 0.00 0.00 0.00 0.00 37.83 38.17 1k0s s LYS 127 CO 0.17 -0.10 0.86 0.99 0.00 0.00 0.00 175.35 177.28 1k0s s THR 128 N 0.64 0.00 -1.37 3.79 2.01 -0.59 -4.96 115.64 115.16 1k0s s THR 128 Ca -0.02 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1k0s s THR 128 Cb -0.05 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1k0s s THR 128 CO -0.06 0.00 0.99 0.47 -0.69 0.00 0.00 174.62 175.33 1k0s n ASP 129 N 0.80 -3.97 -3.04 3.53 8.00 -1.26 -1.32 116.55 119.29 1k0s n ASP 129 Ca -0.14 -0.68 -0.20 0.00 0.71 0.00 0.00 54.79 54.48 1k0s n ASP 129 Cb 0.58 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 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 -0.50 2.98 0.44 0.00 -1.26 -4.95 105.19 100.24 1k0s n GLY 130 Ca -0.11 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.68 0.79 0.08 1.61 1.70 -0.43 -5.14 118.95 111.88 1k0s s ARG 131 Ca 0.27 -0.25 -0.20 0.00 -0.47 0.00 0.00 55.73 55.08 1k0s s ARG 131 Cb -0.14 -0.76 -0.07 0.00 -0.57 0.00 0.00 34.95 33.42 1k0s s ARG 131 CO 0.33 0.09 0.58 -0.51 -1.08 0.00 0.00 175.30 174.72 1k0s s LEU 132 N 0.20 4.53 -0.08 -1.89 1.43 -1.26 -1.54 118.68 120.06 1k0s s LEU 132 Ca -0.03 1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 54.31 1k0s s LEU 132 Cb -0.08 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.26 1k0s s LEU 132 CO 0.00 0.27 0.20 -0.63 0.23 0.00 0.00 176.35 176.42 1k0s s ILE 133 N -1.10 -0.03 0.26 -0.59 1.01 0.21 -2.57 121.20 118.38 1k0s s ILE 133 Ca 0.29 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 1k0s s ILE 133 Cb -0.20 -0.31 -0.08 0.00 0.01 0.00 0.00 42.46 41.88 1k0s s ILE 133 CO 0.20 0.05 0.62 -0.63 0.00 0.00 0.00 174.94 175.17 1k0s s ILE 134 N 0.91 4.83 0.02 2.92 1.09 0.15 0.52 121.20 131.65 1k0s s ILE 134 Ca -0.07 0.68 0.02 0.00 -1.10 0.00 0.00 60.65 60.19 1k0s s ILE 134 Cb -0.08 -3.63 -0.01 0.00 -1.06 0.00 0.00 42.46 37.68 1k0s s ILE 134 CO -0.05 -0.09 -0.07 -0.47 -0.10 0.00 0.00 174.94 174.16 1k0s s TYR 135 N -1.85 0.64 0.13 3.97 5.04 -0.87 0.39 117.35 124.80 1k0s s TYR 135 Ca 0.49 -0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1k0s s TYR 135 Cb -0.11 -0.39 -0.04 0.00 0.35 0.00 0.00 41.96 41.77 1k0s s TYR 135 CO 0.20 -0.04 0.03 -0.51 -1.34 0.00 0.00 175.55 173.89 1k0s s LEU 136 N -0.89 1.97 -0.05 6.97 1.02 0.14 -2.00 118.68 125.84 1k0s s LEU 136 Ca -0.04 -1.17 0.16 0.00 0.02 0.00 0.00 54.13 53.11 1k0s s LEU 136 Cb -0.06 0.20 0.31 0.00 0.02 0.00 0.00 46.19 46.66 1k0s s LEU 136 CO 0.00 -0.67 1.14 -0.67 0.02 0.00 0.00 176.35 176.17 1k0s n ASP 137 N -0.09 1.01 -0.76 2.29 2.03 -1.26 -2.03 116.55 117.74 1k0s n ASP 137 Ca -0.07 -2.45 -0.01 0.00 0.52 0.00 0.00 54.79 52.78 1k0s n ASP 137 Cb 0.63 -0.33 -0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0s n ILE 138 N -0.09 0.00 -0.04 5.18 3.06 -1.26 -4.75 119.36 121.46 1k0s n ILE 138 Ca 0.08 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.32 1k0s n ILE 138 Cb 0.91 -0.11 -0.00 0.00 0.54 0.00 0.00 39.64 40.99 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 0.64 9.51 1.82 -1.94 -2.59 116.42 123.87 1k0s h ASP 139 Ca -0.02 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.44 1k0s h ASP 139 Cb 0.08 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1k0s h ASP 139 CO 0.03 0.40 -0.84 0.50 -1.61 0.00 0.00 179.24 177.73 1k0s h LYS 140 N -0.76 0.13 -0.22 0.28 1.63 -1.86 -2.42 116.57 113.36 1k0s h LYS 140 Ca 0.00 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.61 1k0s h LYS 140 Cb 0.05 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1k0s h LYS 140 CO 0.00 0.89 -0.06 0.97 -3.45 0.00 0.00 179.45 177.80 1k0s h ILE 141 N 0.07 1.29 -0.49 2.00 -0.00 -1.68 -2.49 117.51 116.21 1k0s h ILE 141 Ca -0.03 -1.07 -0.05 0.00 -0.00 0.00 0.00 64.86 63.71 1k0s h ILE 141 Cb 1.45 1.54 -0.02 0.00 -0.00 0.00 0.00 36.82 39.79 1k0s h ILE 141 CO 0.12 0.33 0.13 -0.29 -0.00 0.00 0.00 178.15 178.44 1k0s h ILE 142 N 0.16 1.24 -0.75 2.19 6.09 -1.49 -1.89 117.51 123.06 1k0s h ILE 142 Ca 0.05 -0.83 0.17 0.00 -1.37 0.00 0.00 64.86 62.89 1k0s h ILE 142 Cb 0.52 0.83 -0.12 0.00 0.47 0.00 0.00 36.82 38.53 1k0s h ILE 142 CO 0.02 0.30 0.11 -0.08 -3.07 0.00 0.00 178.15 175.43 1k0s h GLU 143 N 0.68 0.18 -0.35 2.19 4.57 -1.32 0.49 114.58 121.02 1k0s h GLU 143 Ca 0.16 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 1k0s h GLU 143 Cb 0.32 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1k0s h GLU 143 CO 0.00 0.12 -0.21 0.93 -1.18 0.00 0.00 179.01 178.67 1k0s h GLU 144 N 0.19 0.67 -0.96 1.92 4.39 -1.15 -2.49 114.58 117.16 1k0s h GLU 144 Ca 0.43 -0.26 0.14 0.00 0.34 0.00 0.00 59.36 60.01 1k0s h GLU 144 Cb 0.76 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.29 1k0s h GLU 144 CO -0.59 0.84 0.61 0.82 -1.16 0.00 0.00 179.01 179.52 1k0s h ILE 145 N 0.59 0.84 -0.01 3.13 2.04 0.77 0.55 117.51 125.43 1k0s h ILE 145 Ca 0.09 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1k0s h ILE 145 Cb 0.69 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1k0s h ILE 145 CO 0.05 0.15 -0.11 0.71 0.00 0.00 0.00 178.15 178.95 1k0s h THR 146 N 0.82 1.55 0.00 -0.27 1.35 -1.04 -3.21 112.91 112.12 1k0s h THR 146 Ca 0.49 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1k0s h THR 146 Cb 0.67 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1k0s h THR 146 CO -0.26 0.48 0.00 0.55 -0.25 0.00 0.00 175.52 176.04 1k0s n VAL 147 N -4.63 0.00 -0.25 6.82 3.14 -0.89 -4.02 118.33 118.50 1k0s n VAL 147 Ca -0.09 0.00 0.22 0.00 -2.96 0.00 0.00 64.34 61.51 1k0s n VAL 147 Cb 0.42 -0.21 0.56 0.00 -1.06 0.00 0.00 33.84 33.55 1k0s n VAL 147 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1k0s h LYS 148 N 0.00 0.30 -3.07 1.45 2.10 0.09 -3.48 116.57 113.97 1k0s h LYS 148 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1k0s h LYS 148 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1k0s h LYS 148 CO 0.00 0.20 -0.74 0.39 -2.00 0.00 0.00 179.45 177.30 1k0s n GLU 149 N -4.47 -3.82 -2.21 0.07 -0.58 -1.26 -4.98 120.64 103.39 1k0s n GLU 149 Ca 0.21 2.82 -0.02 0.00 -0.42 0.00 0.00 57.16 59.74 1k0s n GLU 149 Cb 0.81 -3.15 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k0s n GLY 150 N -0.55 -0.58 0.00 0.62 0.00 -1.26 -4.78 105.19 98.64 1k0s n GLY 150 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70