#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 0.03 4.81 -1.26 -5.04 118.16 116.69 1k0s n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1k0s n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1k0s n LYS 2 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1k0s n THR 3 N -2.60 0.00 -0.07 3.15 5.66 -1.26 -5.00 114.28 114.16 1k0s n THR 3 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1k0s n THR 3 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1k0s n THR 3 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1k0s h LEU 4 N 0.00 0.00 -9.67 1.09 3.38 -2.06 -3.46 115.31 104.59 1k0s h LEU 4 Ca 0.00 -0.54 -0.52 0.00 0.09 0.00 0.00 57.88 56.92 1k0s h LEU 4 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1k0s h LEU 4 CO 0.00 0.84 0.49 0.00 0.09 0.00 0.00 178.44 179.86 1k0s s ALA 5 N -2.38 3.39 0.59 1.53 0.00 -1.26 -4.81 121.76 118.82 1k0s s ALA 5 Ca -0.12 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1k0s s ALA 5 Cb -0.01 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1k0s s ALA 5 CO 0.40 -0.24 0.00 -0.25 0.00 0.00 0.00 175.76 175.67 1k0s n ASP 6 N 2.33 -7.89 -3.67 0.00 9.92 -1.26 -4.38 116.55 111.60 1k0s n ASP 6 Ca 0.03 1.63 -0.03 0.00 -0.53 0.00 0.00 54.79 55.89 1k0s n ASP 6 Cb 0.46 -4.85 -0.01 0.00 -0.64 0.00 0.00 41.12 36.08 1k0s n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k0s s ALA 7 N -4.86 -1.84 -0.62 2.24 0.00 -1.26 -4.76 121.76 110.65 1k0s s ALA 7 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1k0s s ALA 7 Cb 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1k0s s ALA 7 CO 0.00 -0.95 1.87 1.28 0.00 0.00 0.00 175.76 177.96 1k0s n LEU 8 N -0.41 3.65 0.08 0.00 4.77 -1.26 -3.82 117.00 120.02 1k0s n LEU 8 Ca -0.07 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 1k0s n LEU 8 Cb 0.61 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1k0s n LEU 8 CO 0.12 0.24 0.00 1.17 -1.33 0.00 0.00 177.39 177.60 1k0s n LYS 9 N 4.17 0.00 -3.71 3.23 3.00 -1.26 -4.60 118.16 118.99 1k0s n LYS 9 Ca 0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.54 1k0s n LYS 9 Cb 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 35.03 34.84 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 -1.94 1.36 -0.25 1.64 2.12 -1.25 -4.00 118.70 116.38 1k0s s GLU 10 Ca 0.00 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.25 1k0s s GLU 10 Cb 0.00 0.52 0.07 0.00 0.26 0.00 0.00 34.13 34.98 1k0s s GLU 10 CO 0.00 -0.58 0.70 0.12 -0.54 0.00 0.00 175.26 174.96 1k0s s PHE 11 N -3.86 -0.76 -0.08 5.30 5.36 0.26 -4.59 117.98 119.61 1k0s s PHE 11 Ca 0.08 1.85 -0.21 0.00 -0.96 0.00 0.00 56.93 57.69 1k0s s PHE 11 Cb -0.01 0.27 -0.04 0.00 -0.34 0.00 0.00 43.02 42.90 1k0s s PHE 11 CO -0.04 -0.38 0.61 -1.21 -1.46 0.00 0.00 175.22 172.74 1k0s s GLU 12 N 0.31 4.39 0.18 10.12 2.02 -1.26 -1.26 118.70 133.20 1k0s s GLU 12 Ca -0.00 0.72 -0.10 0.00 0.02 0.00 0.00 54.97 55.60 1k0s s GLU 12 Cb -0.05 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.75 1k0s s GLU 12 CO 0.01 0.14 0.34 0.54 0.02 0.00 0.00 175.26 176.31 1k0s s VAL 13 N 0.61 0.05 0.08 2.63 0.11 -0.78 -4.47 120.40 118.63 1k0s s VAL 13 Ca 0.33 -1.34 -0.20 0.00 -2.93 0.00 0.00 61.98 57.84 1k0s s VAL 13 Cb -0.17 -1.90 -0.07 0.00 -1.53 0.00 0.00 36.38 32.71 1k0s s VAL 13 CO 0.15 -0.21 0.58 -0.22 -3.33 0.00 0.00 175.10 172.08 1k0s s LEU 14 N -2.97 4.53 0.10 2.54 1.98 -0.89 0.16 118.68 124.13 1k0s s LEU 14 Ca 0.18 1.28 -0.19 0.00 -2.89 0.00 0.00 54.13 52.52 1k0s s LEU 14 Cb 0.02 -2.92 0.04 0.00 0.66 0.00 0.00 46.19 44.00 1k0s s LEU 14 CO 0.02 0.27 0.45 -0.94 -1.89 0.00 0.00 176.35 174.26 1k0s s SER 15 N -1.12 -0.33 0.19 3.68 1.04 -0.19 -0.95 113.70 116.03 1k0s s SER 15 Ca 0.29 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.48 1k0s s SER 15 Cb -0.20 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1k0s s SER 15 CO 0.19 -0.81 0.38 0.72 0.98 0.00 0.00 173.24 174.71 1k0s s PHE 16 N -3.29 0.27 0.13 5.02 -0.12 -0.14 -0.11 117.98 119.73 1k0s s PHE 16 Ca -0.00 -0.62 -0.18 0.00 -0.05 0.00 0.00 56.93 56.07 1k0s s PHE 16 Cb 0.01 0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.43 1k0s s PHE 16 CO -0.08 -0.83 0.61 -1.21 -0.05 0.00 0.00 175.22 173.66 1k0s s GLU 17 N -3.96 4.17 -0.33 1.99 0.41 -0.67 -0.56 118.70 119.76 1k0s s GLU 17 Ca 0.17 0.72 -0.01 0.00 -0.41 0.00 0.00 54.97 55.43 1k0s s GLU 17 Cb 0.01 -3.08 0.13 0.00 -1.78 0.00 0.00 34.13 29.41 1k0s s GLU 17 CO 0.01 0.54 0.19 0.42 -0.49 0.00 0.00 175.26 175.93 1k0s s ILE 18 N -1.30 0.03 -1.19 -1.63 -1.09 0.21 -4.09 121.20 112.14 1k0s s ILE 18 Ca 0.35 -1.31 -0.31 0.00 -2.23 0.00 0.00 60.65 57.15 1k0s s ILE 18 Cb -0.18 -1.04 0.03 0.00 -1.58 0.00 0.00 42.46 39.69 1k0s s ILE 18 CO 0.20 -0.87 0.72 0.47 -1.23 0.00 0.00 174.94 174.23 1k0s n ASP 19 N 4.51 -4.51 0.00 3.58 9.92 -1.26 -1.15 116.55 127.64 1k0s n ASP 19 Ca 0.05 -1.22 0.00 0.00 -0.53 0.00 0.00 54.79 53.09 1k0s n ASP 19 Cb 0.39 -2.17 0.00 0.00 -0.64 0.00 0.00 41.12 38.70 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 -4.80 0.00 -3.30 -1.24 1.02 -1.26 -4.75 120.64 106.32 1k0s n GLU 20 Ca -0.10 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.70 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 3.98 0.57 3.49 -2.07 -0.30 -4.91 119.66 120.43 1k0s s GLN 21 Ca 0.00 0.52 -0.03 0.00 -1.82 0.00 0.00 55.36 54.03 1k0s s GLN 21 Cb 0.00 -2.76 0.02 0.00 -1.09 0.00 0.00 33.01 29.18 1k0s s GLN 21 CO 0.00 0.37 0.85 0.00 -1.32 0.00 0.00 175.29 175.18 1k0s s ALA 22 N -1.66 3.48 0.00 2.60 0.00 -0.13 0.68 121.76 126.73 1k0s s ALA 22 Ca 0.44 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1k0s s ALA 22 Cb -0.13 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1k0s s ALA 22 CO 0.20 -0.78 0.00 -1.17 0.00 0.00 0.00 175.76 174.00 1k0s s LEU 23 N -4.90 2.03 -0.00 0.00 2.96 0.28 -1.35 118.68 117.70 1k0s s LEU 23 Ca 0.54 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1k0s s LEU 23 Cb -0.10 0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.67 1k0s s LEU 23 CO 0.42 -0.11 0.13 0.00 -1.32 0.00 0.00 176.35 175.47 1k0s s ALA 24 N -0.52 -0.31 -0.01 5.97 0.00 0.27 -0.97 121.76 126.20 1k0s s ALA 24 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1k0s s ALA 24 Cb -0.04 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1k0s s ALA 24 CO -0.00 -0.20 -0.01 -0.06 0.00 0.00 0.00 175.76 175.49 1k0s s PHE 25 N -1.29 0.20 0.03 0.00 0.40 -0.13 -1.68 117.98 115.51 1k0s s PHE 25 Ca -0.14 -0.02 -0.33 0.00 -0.60 0.00 0.00 56.93 55.84 1k0s s PHE 25 Cb -0.07 -0.17 -0.12 0.00 0.51 0.00 0.00 43.02 43.17 1k0s s PHE 25 CO 0.01 -0.03 1.79 -3.47 0.70 0.00 0.00 175.22 174.22 1k0s n ASP 26 N 3.26 3.48 0.02 1.36 -0.08 -0.91 -2.09 116.55 121.59 1k0s n ASP 26 Ca -0.15 1.00 0.01 0.00 -1.51 0.00 0.00 54.79 54.14 1k0s n ASP 26 Cb 0.57 -1.42 0.07 0.00 2.34 0.00 0.00 41.12 42.68 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 4.57 1.87 -0.35 5.18 0.24 -1.26 -2.11 118.33 126.47 1k0s n VAL 27 Ca 0.20 0.53 -0.03 0.00 -2.04 0.00 0.00 64.34 63.00 1k0s n VAL 27 Cb 0.31 -1.53 0.10 0.00 -1.47 0.00 0.00 33.84 31.25 1k0s n VAL 27 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1k0s h ASP 28 N 0.00 1.08 0.02 -1.34 3.04 -1.92 -3.26 116.42 114.04 1k0s h ASP 28 Ca 0.00 -0.03 -0.33 0.00 -3.24 0.00 0.00 57.03 53.43 1k0s h ASP 28 Cb 0.01 -0.27 -0.04 0.00 -1.04 0.00 0.00 39.33 37.99 1k0s h ASP 28 CO 0.00 0.78 -1.82 -3.20 -2.04 0.00 0.00 179.24 172.96 1k0s n ASN 29 N -4.43 1.94 -4.67 4.15 2.85 -0.90 -4.89 115.26 109.31 1k0s n ASN 29 Ca 0.11 0.32 -0.45 0.00 -0.11 0.00 0.00 54.58 54.45 1k0s n ASN 29 Cb 0.01 -0.87 -0.04 0.00 1.24 0.00 0.00 39.78 40.13 1k0s n ASN 29 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1k0s n ILE 30 N -4.12 0.57 -0.08 -1.44 2.08 -1.14 -2.71 119.36 112.52 1k0s n ILE 30 Ca -0.39 -0.10 -0.16 0.00 0.56 0.00 0.00 62.75 62.66 1k0s n ILE 30 Cb 0.83 -2.07 -0.11 0.00 -0.75 0.00 0.00 39.64 37.53 1k0s n ILE 30 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1k0s h GLU 31 N 9.36 0.00 -1.80 0.38 4.11 -1.59 -3.44 114.58 121.59 1k0s h GLU 31 Ca -0.48 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.06 1k0s h GLU 31 Cb 1.25 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 1k0s h GLU 31 CO 0.94 0.89 0.56 -1.64 0.07 0.00 0.00 179.01 179.83 1k0s s MET 32 N -2.23 0.63 0.26 1.06 -1.94 -1.19 -5.06 119.30 110.83 1k0s s MET 32 Ca -0.21 -0.04 -0.12 0.00 -1.71 0.00 0.00 55.69 53.60 1k0s s MET 32 Cb 0.01 0.30 -0.08 0.00 2.01 0.00 0.00 34.83 37.07 1k0s s MET 32 CO 0.58 -0.24 0.62 0.14 -0.01 0.00 0.00 175.02 176.11 1k0s s VAL 33 N -1.97 4.83 0.29 -6.03 -7.23 -1.26 -1.49 120.40 107.53 1k0s s VAL 33 Ca 0.02 0.68 0.03 0.00 -1.81 0.00 0.00 61.98 60.90 1k0s s VAL 33 Cb -0.01 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1k0s s VAL 33 CO -0.03 -0.08 0.31 2.30 -0.31 0.00 0.00 175.10 177.29 1k0s n ILE 34 N -0.13 0.00 -3.24 -0.62 -5.35 0.18 -4.92 119.36 105.28 1k0s n ILE 34 Ca 0.01 -1.82 -0.03 0.00 -0.27 0.00 0.00 62.75 60.65 1k0s n ILE 34 Cb 0.53 0.98 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 1k0s n ILE 34 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1k0s s GLU 35 N -2.94 0.47 -0.40 6.28 1.03 -1.26 0.24 118.70 122.13 1k0s s GLU 35 Ca 0.30 0.51 0.03 0.00 0.03 0.00 0.00 54.97 55.84 1k0s s GLU 35 Cb 0.01 -0.01 0.28 0.00 -0.80 0.00 0.00 34.13 33.61 1k0s s GLU 35 CO 0.21 -0.87 1.15 0.36 -1.33 0.00 0.00 175.26 174.78 1k0s n LYS 36 N 5.39 0.47 -0.03 -4.83 2.85 -1.26 -4.91 118.16 115.84 1k0s n LYS 36 Ca 0.01 -1.20 -0.02 0.00 -1.05 0.00 0.00 58.31 56.05 1k0s n LYS 36 Cb 0.51 -0.70 0.01 0.00 -0.65 0.00 0.00 35.03 34.20 1k0s n LYS 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k0s n SER 37 N 1.16 -1.47 -4.35 -5.58 2.88 -1.25 -3.92 113.62 101.08 1k0s n SER 37 Ca 0.03 -0.04 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 1k0s n SER 37 Cb 0.69 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 1k0s n SER 37 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k0s n ASP 38 N -2.02 -1.31 -4.77 -3.46 5.68 -1.26 -4.88 116.55 104.52 1k0s n ASP 38 Ca 0.01 -1.18 -0.38 0.00 -0.50 0.00 0.00 54.79 52.74 1k0s n ASP 38 Cb 0.03 -2.02 -0.03 0.00 -1.14 0.00 0.00 41.12 37.96 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1k0s s ILE 39 N -3.62 3.51 -0.23 2.12 1.01 -1.25 -4.29 121.20 118.44 1k0s s ILE 39 Ca 0.52 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 62.40 1k0s s ILE 39 Cb -0.30 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1k0s s ILE 39 CO 0.98 0.10 0.18 0.41 0.00 0.00 0.00 174.94 176.62 1k0s n THR 40 N 0.21 -0.98 -0.06 2.92 -1.04 -1.25 -4.23 114.28 109.84 1k0s n THR 40 Ca 0.04 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.85 1k0s n THR 40 Cb 0.48 -0.88 -0.13 0.00 -1.82 0.00 0.00 70.33 67.98 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 0.61 0.08 -0.31 -2.82 0.13 -1.85 -3.29 132.00 124.55 1k0s h PRO 41 Ca -0.19 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1k0s h PRO 41 Cb 0.42 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1k0s h PRO 41 CO 0.10 1.06 -0.09 0.28 -0.23 0.00 0.00 178.00 179.13 1k0s h VAL 42 N -0.78 1.28 0.56 1.56 2.07 -1.94 -3.30 116.25 115.70 1k0s h VAL 42 Ca -0.25 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1k0s h VAL 42 Cb 1.38 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1k0s h VAL 42 CO -0.08 0.37 -0.27 -0.65 0.02 0.00 0.00 177.57 176.96 1k0s h PRO 43 N 0.38 -0.73 0.00 1.57 0.11 -1.97 -3.47 132.00 127.90 1k0s h PRO 43 Ca 0.08 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1k0s h PRO 43 Cb 0.59 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1k0s h PRO 43 CO 0.03 -0.49 0.00 0.36 -0.21 0.00 0.00 178.00 177.70 1k0s n LYS 44 N -5.42 0.00 -2.63 1.05 -0.00 -1.24 -4.90 118.16 105.02 1k0s n LYS 44 Ca -0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.10 1k0s n LYS 44 Cb 0.31 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.39 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 -3.91 -3.24 -2.84 -5.58 2.88 -1.26 -4.99 113.62 94.69 1k0s n SER 45 Ca 0.00 -0.36 -0.00 0.00 -1.33 0.00 0.00 58.87 57.17 1k0s n SER 45 Cb 0.00 -3.06 0.05 0.00 -0.75 0.00 0.00 64.21 60.45 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 -2.59 1.72 0.00 -1.46 3.00 -1.26 -5.12 116.66 110.95 1k0s n ARG 46 Ca -0.10 -3.49 0.00 0.00 -0.00 0.00 0.00 57.85 54.26 1k0s n ARG 46 Cb 0.58 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.45 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 -0.60 0.00 -0.27 -0.14 8.25 -1.26 -1.65 115.22 119.55 1k0s n HIS 47 Ca 0.07 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.68 1k0s n HIS 47 Cb 0.80 0.02 0.42 0.00 1.12 0.00 0.00 29.99 32.35 1k0s n HIS 47 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1k0s h PHE 48 N 0.00 0.76 -2.39 4.41 3.57 -1.89 -3.41 116.94 117.99 1k0s h PHE 48 Ca 0.00 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.97 1k0s h PHE 48 Cb 0.00 -0.23 0.05 0.00 2.79 0.00 0.00 35.95 38.55 1k0s h PHE 48 CO 0.00 0.23 1.00 0.28 -2.23 0.00 0.00 178.31 177.59 1k0s n VAL 49 N -4.58 0.23 -0.01 1.41 0.31 -0.66 -4.89 118.33 110.15 1k0s n VAL 49 Ca 0.19 -0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.28 1k0s n VAL 49 Cb 0.57 -1.89 -0.14 0.00 -0.91 0.00 0.00 33.84 31.48 1k0s n VAL 49 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1k0s h GLU 50 N 7.56 0.20 0.00 5.55 4.39 -1.73 -3.38 114.58 127.17 1k0s h GLU 50 Ca -0.46 -0.34 -0.32 0.00 0.34 0.00 0.00 59.36 58.59 1k0s h GLU 50 Cb 1.24 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.93 1k0s h GLU 50 CO 0.93 1.16 -0.31 0.41 -1.16 0.00 0.00 179.01 180.05 1k0s n GLY 51 N 1.68 3.32 3.83 -3.84 0.00 -0.92 -4.69 105.19 104.56 1k0s n GLY 51 Ca -0.22 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.86 0.00 -0.20 1.61 -7.23 -1.26 -0.18 120.40 110.28 1k0s s VAL 52 Ca 0.25 -0.91 -0.27 0.00 -1.81 0.00 0.00 61.98 59.24 1k0s s VAL 52 Cb 0.01 -1.94 0.07 0.00 0.56 0.00 0.00 36.38 35.08 1k0s s VAL 52 CO 0.18 0.00 0.70 0.27 -0.31 0.00 0.00 175.10 175.94 1k0s s ILE 53 N -3.86 0.00 -0.01 -0.62 -0.00 -0.80 -3.91 121.20 112.00 1k0s s ILE 53 Ca 0.10 -0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 60.55 1k0s s ILE 53 Cb -0.05 -1.00 -0.05 0.00 -0.00 0.00 0.00 42.46 41.36 1k0s s ILE 53 CO 0.05 -0.00 0.60 0.21 -0.00 0.00 0.00 174.94 175.80 1k0s s ASN 54 N -0.13 6.97 -0.27 4.36 2.47 -1.26 -0.21 114.94 126.87 1k0s s ASN 54 Ca -0.04 1.16 -0.22 0.00 0.42 0.00 0.00 52.86 54.19 1k0s s ASN 54 Cb -0.03 -2.37 0.07 0.00 -1.45 0.00 0.00 41.25 37.47 1k0s s ASN 54 CO 0.04 0.09 0.71 -0.76 -3.72 0.00 0.00 177.10 173.46 1k0s s LEU 55 N -0.14 -0.82 -1.42 3.21 1.43 0.43 -4.93 118.68 116.45 1k0s s LEU 55 Ca 0.31 1.47 -0.05 0.00 -1.03 0.00 0.00 54.13 54.83 1k0s s LEU 55 Cb -0.18 2.44 0.04 0.00 0.03 0.00 0.00 46.19 48.51 1k0s s LEU 55 CO 0.17 -0.25 0.73 -1.14 0.23 0.00 0.00 176.35 176.10 1k0s n ARG 56 N 3.25 -4.67 -3.46 1.70 3.00 -1.26 -0.96 116.66 114.26 1k0s n ARG 56 Ca -0.16 0.56 -0.25 0.00 -0.00 0.00 0.00 57.85 57.99 1k0s n ARG 56 Cb 0.56 -5.14 0.03 0.00 0.00 0.00 0.00 32.46 27.92 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0s n GLY 57 N -1.68 -0.51 3.61 5.14 0.00 -1.26 -4.96 105.19 105.53 1k0s n GLY 57 Ca -0.18 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -6.15 0.69 -0.09 1.61 0.52 -0.14 -5.15 118.95 110.25 1k0s s ARG 58 Ca 0.48 1.19 -0.21 0.00 -0.52 0.00 0.00 55.73 56.66 1k0s s ARG 58 Cb -0.23 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 1k0s s ARG 58 CO 0.59 -0.15 0.61 0.42 0.02 0.00 0.00 175.30 176.79 1k0s s ILE 59 N 1.56 5.10 -0.16 1.52 1.09 -1.26 -0.43 121.20 128.63 1k0s s ILE 59 Ca -0.09 1.23 -0.05 0.00 -1.10 0.00 0.00 60.65 60.64 1k0s s ILE 59 Cb -0.05 -3.94 -0.03 0.00 -1.06 0.00 0.00 42.46 37.37 1k0s s ILE 59 CO -0.18 0.28 -0.01 0.27 -0.10 0.00 0.00 174.94 175.19 1k0s s ILE 60 N 0.77 4.14 -0.25 2.92 -4.36 0.70 -4.90 121.20 120.22 1k0s s ILE 60 Ca 0.32 -0.27 -0.29 0.00 -0.26 0.00 0.00 60.65 60.15 1k0s s ILE 60 Cb -0.17 -2.83 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1k0s s ILE 60 CO 0.15 0.48 1.17 -2.16 0.24 0.00 0.00 174.94 174.82 1k0s s PRO 61 N 0.38 4.12 -0.06 0.37 0.04 -1.22 -1.91 135.00 136.72 1k0s s PRO 61 Ca -0.02 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 1k0s s PRO 61 Cb -0.14 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1k0s s PRO 61 CO 0.02 -0.84 0.34 0.14 0.04 0.00 0.00 177.00 176.71 1k0s s VAL 62 N 3.68 5.17 0.04 -0.36 -7.23 0.74 -1.16 120.40 121.27 1k0s s VAL 62 Ca 0.50 0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 61.34 1k0s s VAL 62 Cb -0.16 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 1k0s s VAL 62 CO 0.15 0.54 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.77 1k0s s VAL 63 N -0.70 0.16 -1.35 1.32 1.01 -0.86 -2.16 120.40 117.82 1k0s s VAL 63 Ca 0.21 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1k0s s VAL 63 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1k0s s VAL 63 CO 0.10 -0.73 2.39 0.59 0.00 0.00 0.00 175.10 177.45 1k0s n ASN 64 N 0.85 5.26 -0.06 3.32 4.13 -1.26 -2.03 115.26 125.47 1k0s n ASN 64 Ca -0.19 -2.68 0.25 0.00 1.68 0.00 0.00 54.58 53.64 1k0s n ASN 64 Cb 0.58 -1.49 0.69 0.00 -1.54 0.00 0.00 39.78 38.02 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1k0s h LEU 65 N 9.48 0.00 -1.38 3.41 6.46 -1.81 0.57 115.31 132.04 1k0s h LEU 65 Ca 0.63 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.33 1k0s h LEU 65 Cb 0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1k0s h LEU 65 CO 1.82 0.00 -0.31 0.00 -0.62 0.00 0.00 178.44 179.33 1k0s h ALA 66 N 1.31 1.40 0.06 1.25 0.00 -1.84 -1.88 119.26 119.57 1k0s h ALA 66 Ca 0.33 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1k0s h ALA 66 Cb 1.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1k0s h ALA 66 CO -0.00 0.39 -1.68 1.57 0.00 0.00 0.00 179.25 179.52 1k0s h LYS 67 N 0.00 0.13 -0.89 0.00 5.09 -0.07 1.38 116.57 122.22 1k0s h LYS 67 Ca -0.00 -0.22 0.06 0.00 0.09 0.00 0.00 60.65 60.57 1k0s h LYS 67 Cb 0.58 0.08 -0.06 0.00 0.10 0.00 0.00 32.23 32.93 1k0s h LYS 67 CO 0.04 0.86 0.56 0.97 -2.09 0.00 0.00 179.45 179.79 1k0s h ILE 68 N 0.04 1.06 0.00 0.07 2.10 -1.28 -1.76 117.51 117.74 1k0s h ILE 68 Ca -0.29 -0.35 -0.01 0.00 1.08 0.00 0.00 64.86 65.29 1k0s h ILE 68 Cb 2.00 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 1k0s h ILE 68 CO 0.11 0.19 -0.03 0.25 -1.08 0.00 0.00 178.15 177.58 1k0s h LEU 69 N 1.02 0.02 0.00 2.19 7.12 -1.42 -3.50 115.31 120.75 1k0s h LEU 69 Ca 0.38 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.51 1k0s h LEU 69 Cb 0.15 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1k0s h LEU 69 CO -0.17 0.90 0.00 0.61 -0.13 0.00 0.00 178.44 179.66 1k0s n GLY 70 N 1.30 2.39 0.68 3.75 0.00 0.47 -5.08 105.19 108.70 1k0s n GLY 70 Ca -0.10 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -0.28 -0.61 -5.35 -1.24 -3.83 119.36 108.05 1k0s n ILE 71 Ca 0.00 0.10 0.18 0.00 -0.27 0.00 0.00 62.75 62.76 1k0s n ILE 71 Cb 0.00 -0.25 0.47 0.00 -1.74 0.00 0.00 39.64 38.12 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 -0.88 0.50 -0.79 7.28 0.02 -1.86 -3.43 113.55 114.38 1k0s h SER 72 Ca -0.01 0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.67 1k0s h SER 72 Cb 1.11 -0.03 0.08 0.00 0.14 0.00 0.00 62.40 63.69 1k0s h SER 72 CO 0.01 0.19 -0.45 0.33 -1.14 0.00 0.00 176.83 175.77 1k0s n PHE 73 N -4.57 -0.94 0.05 3.45 7.35 -1.25 -4.84 117.46 116.71 1k0s n PHE 73 Ca 0.21 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 1k0s n PHE 73 Cb 0.68 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.60 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 1.16 0.07 0.00 -2.13 2.03 -1.26 -4.97 116.55 111.45 1k0s n ASP 74 Ca 0.06 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1k0s n ASP 74 Cb 0.19 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1k0s n ASP 74 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1k0s n GLU 75 N -3.01 0.00 -0.28 -0.67 0.28 -1.26 -5.00 120.64 110.70 1k0s n GLU 75 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 1k0s n GLU 75 Cb 0.08 0.00 0.31 0.00 1.43 0.00 0.00 31.44 33.26 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 0.82 0.00 3.44 4.20 -2.01 -0.88 115.11 120.67 1k0s h GLN 76 Ca 0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1k0s h GLN 76 Cb 0.00 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1k0s h GLN 76 CO 0.00 0.54 -0.29 0.87 -0.67 0.00 0.00 178.83 179.28 1k0s h LYS 77 N 0.84 0.00 -6.30 1.46 6.56 -1.97 -3.45 116.57 113.71 1k0s h LYS 77 Ca 0.42 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 59.36 1k0s h LYS 77 Cb 0.48 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 32.22 1k0s h LYS 77 CO -0.19 0.29 0.21 -1.33 -2.06 0.00 0.00 179.45 176.37 1k0s n MET 78 N -3.75 1.05 0.04 3.15 2.81 -0.34 -3.93 117.12 116.15 1k0s n MET 78 Ca -0.01 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1k0s n MET 78 Cb 0.39 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1k0s n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1k0s n LYS 79 N 1.66 0.00 -1.70 0.03 5.02 0.40 -4.82 118.16 118.76 1k0s n LYS 79 Ca 0.15 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 1k0s n LYS 79 Cb 0.24 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.33 1k0s n LYS 79 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1k0s n SER 80 N -2.64 0.69 -3.70 4.39 7.64 0.29 -3.89 113.62 116.41 1k0s n SER 80 Ca 0.00 -1.63 -0.10 0.00 1.01 0.00 0.00 58.87 58.15 1k0s n SER 80 Cb 0.00 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 1k0s n SER 80 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1k0s s ILE 81 N -1.99 0.08 -0.03 0.44 1.01 0.14 -0.89 121.20 119.96 1k0s s ILE 81 Ca 0.42 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1k0s s ILE 81 Cb -0.02 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1k0s s ILE 81 CO 0.28 -0.36 0.08 -0.63 0.00 0.00 0.00 174.94 174.31 1k0s s ILE 82 N -3.83 0.01 0.09 2.92 1.01 0.16 0.49 121.20 122.05 1k0s s ILE 82 Ca 0.04 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.70 1k0s s ILE 82 Cb 0.02 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 1k0s s ILE 82 CO -0.11 -0.03 -0.05 -0.69 0.00 0.00 0.00 174.94 174.07 1k0s s VAL 83 N -0.06 3.73 0.31 2.92 1.01 -0.56 0.08 120.40 127.82 1k0s s VAL 83 Ca -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1k0s s VAL 83 Cb -0.01 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1k0s s VAL 83 CO 0.00 0.13 0.44 0.00 0.00 0.00 0.00 175.10 175.66 1k0s s ALA 84 N -1.26 0.60 -0.05 5.51 0.00 0.26 -1.69 121.76 125.13 1k0s s ALA 84 Ca 0.24 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1k0s s ALA 84 Cb -0.11 1.17 0.02 0.00 0.00 0.00 0.00 23.12 24.19 1k0s s ALA 84 CO 0.16 -0.78 -0.06 -0.98 0.00 0.00 0.00 175.76 174.10 1k0s s ARG 85 N -3.40 1.01 -0.21 0.00 1.70 -1.10 0.34 118.95 117.29 1k0s s ARG 85 Ca 0.30 -0.17 -0.04 0.00 -0.47 0.00 0.00 55.73 55.35 1k0s s ARG 85 Cb 0.00 -0.95 0.09 0.00 -0.57 0.00 0.00 34.95 33.53 1k0s s ARG 85 CO 0.17 -0.05 0.21 0.95 -1.08 0.00 0.00 175.30 175.49 1k0s s THR 86 N 0.83 -0.29 -1.38 4.99 -4.23 0.37 -4.83 115.64 111.09 1k0s s THR 86 Ca -0.12 -0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1k0s s THR 86 Cb -0.15 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1k0s s THR 86 CO 0.01 -0.26 0.43 1.17 -0.54 0.00 0.00 174.62 175.43 1k0s n LYS 87 N 5.31 -2.86 -2.27 3.99 4.81 -1.26 -0.33 118.16 125.55 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 -4.37 -0.00 0.00 0.02 0.00 0.00 35.03 31.17 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 -3.31 -3.87 3.14 9.92 -1.26 -5.01 116.55 113.22 1k0s n ASP 88 Ca -0.29 -0.03 -0.30 0.00 -0.53 0.00 0.00 54.79 53.64 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 -2.55 1.24 -0.66 2.53 1.01 0.55 -5.06 120.40 117.46 1k0s s VAL 89 Ca 0.03 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 1k0s s VAL 89 Cb -0.01 -1.63 0.07 0.00 0.00 0.00 0.00 36.38 34.80 1k0s s VAL 89 CO 0.04 -0.22 0.96 -1.61 0.00 0.00 0.00 175.10 174.27 1k0s s GLU 90 N 1.51 3.12 0.26 2.72 8.01 -1.25 0.14 118.70 133.20 1k0s s GLU 90 Ca -0.02 -0.86 -0.12 0.00 0.01 0.00 0.00 54.97 53.98 1k0s s GLU 90 Cb -0.18 -4.24 -0.08 0.00 -4.31 0.00 0.00 34.13 25.32 1k0s s GLU 90 CO -0.09 -1.81 0.63 0.08 0.01 0.00 0.00 175.26 174.08 1k0s s VAL 91 N 4.01 4.81 0.24 2.63 1.01 0.15 -3.39 120.40 129.88 1k0s s VAL 91 Ca 0.22 0.71 0.11 0.00 0.00 0.00 0.00 61.98 63.02 1k0s s VAL 91 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1k0s s VAL 91 CO 0.10 -0.10 -0.19 -0.83 0.00 0.00 0.00 175.10 174.08 1k0s s GLY 92 N -2.28 1.80 -0.16 4.51 0.00 -0.31 0.88 107.32 111.77 1k0s s GLY 92 Ca 0.50 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 43.39 1k0s s GLY 92 CO 0.19 -1.82 0.35 -0.12 0.00 0.00 0.00 173.10 171.70 1k0s s PHE 93 N -2.17 -0.58 -0.25 1.90 5.36 0.11 -2.03 117.98 120.31 1k0s s PHE 93 Ca 0.27 1.21 -0.21 0.00 -0.96 0.00 0.00 56.93 57.24 1k0s s PHE 93 Cb -0.06 0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.76 1k0s s PHE 93 CO 0.14 -0.38 0.67 -1.17 -1.46 0.00 0.00 175.22 173.01 1k0s s LEU 94 N 2.10 4.07 0.00 6.12 2.96 -0.86 0.37 118.68 133.44 1k0s s LEU 94 Ca -0.04 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1k0s s LEU 94 Cb -0.11 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 1k0s s LEU 94 CO -0.11 -0.39 0.09 1.33 -1.32 0.00 0.00 176.35 175.94 1k0s n VAL 95 N 5.18 0.00 0.00 1.68 0.24 -0.07 -4.51 118.33 120.85 1k0s n VAL 95 Ca 0.01 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 1k0s n VAL 95 Cb 0.49 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -1.79 0.00 -3.71 -1.34 -0.08 -1.25 0.15 116.55 108.53 1k0s n ASP 96 Ca -0.03 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.98 1k0s n ASP 96 Cb 0.34 -0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.63 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 -0.01 0.52 -0.36 -0.67 6.06 -1.26 0.11 118.95 123.34 1k0s s ARG 97 Ca 0.00 -0.32 -0.22 0.00 -2.50 0.00 0.00 55.73 52.69 1k0s s ARG 97 Cb 0.00 -1.99 0.01 0.00 0.06 0.00 0.00 34.95 33.03 1k0s s ARG 97 CO 0.00 -0.63 0.72 0.54 -2.50 0.00 0.00 175.30 173.43 1k0s s VAL 98 N 1.93 4.80 0.48 7.11 0.11 -1.26 -1.66 120.40 131.90 1k0s s VAL 98 Ca 0.00 0.75 0.19 0.00 -2.93 0.00 0.00 61.98 59.99 1k0s s VAL 98 Cb -0.17 -4.15 0.24 0.00 -1.53 0.00 0.00 36.38 30.77 1k0s s VAL 98 CO -0.08 -0.38 2.08 -0.07 -3.33 0.00 0.00 175.10 173.32 1k0s h LEU 99 N 9.57 0.00 0.00 2.54 -0.00 -0.86 -3.47 115.31 123.10 1k0s h LEU 99 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1k0s h LEU 99 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1k0s h LEU 99 CO 0.88 0.11 0.00 0.61 -0.00 0.00 0.00 178.44 180.03 1k0s n GLY 100 N -1.13 1.51 3.66 0.83 0.00 -0.52 -4.90 105.19 104.64 1k0s n GLY 100 Ca -0.03 -0.80 -0.48 0.00 0.00 0.00 0.00 46.02 44.71 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 0.14 -4.83 1.61 3.14 -1.26 -1.02 118.33 116.12 1k0s n VAL 101 Ca 0.00 -0.03 -0.25 0.00 -2.96 0.00 0.00 64.34 61.11 1k0s n VAL 101 Cb 0.00 -1.47 -0.15 0.00 -1.06 0.00 0.00 33.84 31.15 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 1.66 2.01 -1.24 6.55 2.96 0.43 -4.82 118.68 126.23 1k0s s LEU 102 Ca 0.84 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.30 1k0s s LEU 102 Cb -0.75 -0.91 0.16 0.00 0.50 0.00 0.00 46.19 45.20 1k0s s LEU 102 CO 0.44 0.20 1.60 -2.11 -1.32 0.00 0.00 176.35 175.16 1k0s n ARG 103 N 2.73 3.42 -2.72 1.98 1.85 -1.26 -1.87 116.66 120.80 1k0s n ARG 103 Ca -0.15 -3.70 -0.26 0.00 -1.00 0.00 0.00 57.85 52.73 1k0s n ARG 103 Cb 0.54 -3.04 0.01 0.00 -1.05 0.00 0.00 32.46 28.92 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 1.40 4.57 0.08 8.89 -1.09 -0.39 -4.90 121.20 129.76 1k0s s ILE 104 Ca 0.43 -0.00 0.09 0.00 -2.23 0.00 0.00 60.65 58.93 1k0s s ILE 104 Cb 0.02 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1k0s s ILE 104 CO 0.01 -0.68 -0.24 0.42 -1.23 0.00 0.00 174.94 173.22 1k0s s THR 105 N -2.72 1.96 -0.95 2.92 -4.23 -1.26 0.89 115.64 112.24 1k0s s THR 105 Ca 0.48 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1k0s s THR 105 Cb -0.10 -1.72 0.30 0.00 1.34 0.00 0.00 72.50 72.32 1k0s s THR 105 CO 0.43 0.16 1.40 1.21 -0.54 0.00 0.00 174.62 177.28 1k0s n GLU 106 N 1.40 4.30 -0.64 3.99 2.13 -1.26 -4.65 120.64 125.92 1k0s n GLU 106 Ca -0.18 -4.63 0.07 0.00 0.66 0.00 0.00 57.16 53.08 1k0s n GLU 106 Cb 0.53 -2.44 0.32 0.00 0.27 0.00 0.00 31.44 30.12 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 0.77 4.53 0.00 4.31 5.03 -1.26 -4.07 115.26 124.57 1k0s n ASN 107 Ca 0.32 -2.59 0.00 0.00 0.87 0.00 0.00 54.58 53.18 1k0s n ASN 107 Cb 0.33 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 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 0.69 0.00 -1.64 3.52 0.00 -1.26 -4.66 117.38 114.03 1k0s n GLN 108 Ca 0.22 0.00 -0.54 0.00 0.00 0.00 0.00 57.00 56.68 1k0s n GLN 108 Cb 0.92 -0.06 -0.06 0.00 0.00 0.00 0.00 30.24 31.04 1k0s n GLN 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1k0s n LEU 109 N -2.14 1.98 0.00 2.61 4.32 -1.26 -1.10 117.00 121.41 1k0s n LEU 109 Ca 0.00 1.10 0.00 0.00 -0.02 0.00 0.00 56.01 57.09 1k0s n LEU 109 Cb 0.00 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 40.62 1k0s n LEU 109 CO 0.00 -0.78 0.00 -0.67 -1.22 0.00 0.00 177.39 174.72 1k0s n ASP 110 N 3.71 0.00 0.00 -1.43 2.03 -1.26 -4.59 116.55 115.01 1k0s n ASP 110 Ca 0.22 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.58 1k0s n ASP 110 Cb 0.17 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 40.87 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 -4.13 -2.67 7.94 -0.81 -4.86 117.00 112.47 1k0s n LEU 111 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 1k0s n LEU 111 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1k0s n LEU 111 CO 0.00 0.00 -0.09 1.07 -1.11 0.00 0.00 177.39 177.26 1k0s n THR 112 N -0.74 -1.66 0.07 1.96 5.66 -0.26 -4.86 114.28 114.46 1k0s n THR 112 Ca 0.08 -0.16 -0.10 0.00 -3.05 0.00 0.00 64.05 60.82 1k0s n THR 112 Cb 0.03 -2.01 -0.13 0.00 -1.55 0.00 0.00 70.33 66.67 1k0s n THR 112 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1k0s h ASN 113 N -1.64 0.14 -0.49 1.09 4.21 -1.75 -3.35 115.58 113.79 1k0s h ASN 113 Ca -0.60 -0.16 0.14 0.00 1.21 0.00 0.00 56.30 56.89 1k0s h ASN 113 Cb 1.38 -0.05 -0.09 0.00 -1.12 0.00 0.00 38.32 38.44 1k0s h ASN 113 CO 0.73 1.12 0.04 1.33 -1.29 0.00 0.00 177.43 179.37 1k0s n VAL 114 N -3.39 -0.21 0.00 2.81 0.24 -1.26 -4.70 118.33 111.82 1k0s n VAL 114 Ca -0.04 1.07 0.00 0.00 -2.04 0.00 0.00 64.34 63.33 1k0s n VAL 114 Cb 0.98 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 1k0s n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1k0s n SER 115 N -4.51 0.00 0.00 -1.34 2.88 -1.26 -3.74 113.62 105.65 1k0s n SER 115 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1k0s n SER 115 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1k0s n SER 115 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k0s n ASP 116 N 2.15 1.16 0.00 -3.46 2.03 -1.26 -5.04 116.55 112.12 1k0s n ASP 116 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k0s n ASP 116 Cb 0.00 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1k0s n ASP 116 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k0s n LYS 117 N -1.66 0.00 0.00 -0.67 5.02 -1.25 -3.37 118.16 116.24 1k0s n LYS 117 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k0s n LYS 117 Cb 0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k0s n PHE 118 N 0.00 0.00 0.00 2.13 -0.00 -1.26 -2.96 117.46 115.37 1k0s n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1k0s n PHE 118 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1k0s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k0s n GLY 119 N 0.00 -0.85 0.00 7.13 0.00 -1.22 -5.00 105.19 105.25 1k0s n GLY 119 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.66 1.61 0.00 -1.26 -5.06 118.16 110.79 1k0s n LYS 120 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1k0s n LYS 120 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1k0s n LYS 121 N 0.00 0.98 0.00 1.64 4.81 -1.26 -5.00 118.16 119.33 1k0s n LYS 121 Ca 0.00 -1.49 0.00 0.00 -0.87 0.00 0.00 58.31 55.95 1k0s n LYS 121 Cb 0.00 0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.06 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1k0s n SER 122 N -0.66 0.00 0.02 3.14 3.41 -1.26 -3.73 113.62 114.54 1k0s n SER 122 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1k0s n SER 122 Cb 0.80 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.13 0.00 4.33 1.63 -1.89 -3.47 116.57 117.04 1k0s h LYS 123 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1k0s h LYS 123 Cb 0.00 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1k0s h LYS 123 CO 0.00 0.37 0.00 0.41 -3.45 0.00 0.00 179.45 176.78 1k0s n GLY 124 N 0.58 1.84 2.75 5.01 0.00 -0.47 -4.73 105.19 110.18 1k0s n GLY 124 Ca -0.08 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 0.72 0.15 0.99 1.98 -1.16 -2.07 118.68 119.29 1k0s s LEU 125 Ca 0.00 0.03 0.04 0.00 -2.89 0.00 0.00 54.13 51.31 1k0s s LEU 125 Cb 0.00 -0.17 -0.04 0.00 0.66 0.00 0.00 46.19 46.64 1k0s s LEU 125 CO 0.00 -0.17 0.18 0.54 -1.89 0.00 0.00 176.35 175.01 1k0s s VAL 126 N 1.54 4.78 -0.21 1.68 0.11 0.14 -4.89 120.40 123.56 1k0s s VAL 126 Ca -0.03 -0.92 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 1k0s s VAL 126 Cb -0.13 -3.44 0.06 0.00 -1.53 0.00 0.00 36.38 31.35 1k0s s VAL 126 CO -0.03 -0.08 0.52 -0.54 -3.33 0.00 0.00 175.10 171.64 1k0s s LYS 127 N -3.09 0.55 -0.09 1.54 1.02 -1.26 -0.63 119.74 117.78 1k0s s LYS 127 Ca 0.32 0.86 -0.31 0.00 0.02 0.00 0.00 55.97 56.87 1k0s s LYS 127 Cb -0.11 0.14 0.09 0.00 -0.52 0.00 0.00 37.83 37.44 1k0s s LYS 127 CO 0.25 -0.12 0.79 0.99 -0.92 0.00 0.00 175.35 176.34 1k0s s THR 128 N 1.00 0.00 -1.49 2.17 2.01 -0.78 -4.95 115.64 113.60 1k0s s THR 128 Ca -0.06 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1k0s s THR 128 Cb -0.06 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.48 1k0s s THR 128 CO -0.09 0.00 0.38 -0.90 -0.69 0.00 0.00 174.62 173.32 1k0s n ASP 129 N 0.86 -0.46 -3.84 3.53 5.68 -1.26 -0.52 116.55 120.55 1k0s n ASP 129 Ca -0.16 -1.07 -0.27 0.00 -0.50 0.00 0.00 54.79 52.79 1k0s n ASP 129 Cb 0.57 -2.68 0.03 0.00 -1.14 0.00 0.00 41.12 37.91 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k0s n GLY 130 N -2.02 -0.43 2.83 6.12 0.00 -1.26 -4.98 105.19 105.45 1k0s n GLY 130 Ca -0.26 0.18 -0.15 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 -6.42 0.12 0.03 1.61 1.70 0.32 -5.14 118.95 111.17 1k0s s ARG 131 Ca 0.45 0.06 -0.20 0.00 -0.47 0.00 0.00 55.73 55.57 1k0s s ARG 131 Cb -0.23 -0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 33.84 1k0s s ARG 131 CO 0.82 -0.08 0.59 -0.51 -1.08 0.00 0.00 175.30 175.04 1k0s s LEU 132 N 0.59 4.47 -0.08 -1.89 1.02 -1.26 -1.87 118.68 119.67 1k0s s LEU 132 Ca -0.05 1.22 -0.04 0.00 0.02 0.00 0.00 54.13 55.28 1k0s s LEU 132 Cb -0.08 -2.92 0.04 0.00 0.02 0.00 0.00 46.19 43.25 1k0s s LEU 132 CO -0.01 0.18 0.19 -0.63 0.02 0.00 0.00 176.35 176.10 1k0s s ILE 133 N -0.63 -0.04 0.03 -0.59 1.01 0.20 -0.96 121.20 120.22 1k0s s ILE 133 Ca 0.30 0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 1k0s s ILE 133 Cb -0.19 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.92 1k0s s ILE 133 CO 0.18 0.07 0.58 -0.63 0.00 0.00 0.00 174.94 175.14 1k0s s ILE 134 N 1.20 4.82 0.01 2.92 1.09 -0.46 0.27 121.20 131.06 1k0s s ILE 134 Ca -0.09 1.24 0.04 0.00 -1.10 0.00 0.00 60.65 60.74 1k0s s ILE 134 Cb -0.11 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.36 1k0s s ILE 134 CO -0.07 0.48 -0.12 -0.47 -0.10 0.00 0.00 174.94 174.66 1k0s s TYR 135 N -0.62 1.10 -0.16 3.97 5.04 -0.88 0.94 117.35 126.74 1k0s s TYR 135 Ca 0.30 -0.27 -0.29 0.00 -2.44 0.00 0.00 57.07 54.37 1k0s s TYR 135 Cb -0.19 -0.68 0.10 0.00 0.35 0.00 0.00 41.96 41.54 1k0s s TYR 135 CO 0.18 -0.00 0.86 -0.48 -1.34 0.00 0.00 175.55 174.78 1k0s s LEU 136 N -0.66 -0.53 -0.46 6.97 -0.00 -0.67 -1.36 118.68 121.97 1k0s s LEU 136 Ca 0.03 0.72 0.01 0.00 -0.00 0.00 0.00 54.13 54.89 1k0s s LEU 136 Cb -0.06 2.16 0.46 0.00 -0.00 0.00 0.00 46.19 48.76 1k0s s LEU 136 CO 0.00 -0.39 1.90 -0.90 -0.00 0.00 0.00 176.35 176.96 1k0s n ASP 137 N 1.29 5.47 -1.09 1.48 5.68 -1.26 -2.14 116.55 125.98 1k0s n ASP 137 Ca -0.14 -3.44 0.00 0.00 -0.50 0.00 0.00 54.79 50.71 1k0s n ASP 137 Cb 0.57 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 -0.67 0.00 -0.04 2.12 3.06 -1.26 -4.77 119.36 117.80 1k0s n ILE 138 Ca 0.51 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.71 1k0s n ILE 138 Cb 1.05 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 41.19 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 -0.03 0.63 9.51 3.58 -1.95 -2.57 116.42 125.58 1k0s h ASP 139 Ca 0.00 -0.28 -0.23 0.00 0.42 0.00 0.00 57.03 56.94 1k0s h ASP 139 Cb 0.06 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1k0s h ASP 139 CO 0.00 0.60 -1.03 0.50 -2.88 0.00 0.00 179.24 176.43 1k0s h LYS 140 N -1.00 0.22 -0.33 0.28 3.64 -1.86 -2.60 116.57 114.92 1k0s h LYS 140 Ca -0.00 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1k0s h LYS 140 Cb 0.31 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1k0s h LYS 140 CO 0.01 1.07 0.06 0.97 -2.27 0.00 0.00 179.45 179.29 1k0s h ILE 141 N 0.10 1.23 -0.50 2.00 -0.00 -1.74 -2.25 117.51 116.34 1k0s h ILE 141 Ca -0.08 -0.79 -0.01 0.00 -0.00 0.00 0.00 64.86 63.98 1k0s h ILE 141 Cb 1.71 1.12 -0.02 0.00 -0.00 0.00 0.00 36.82 39.63 1k0s h ILE 141 CO 0.16 0.26 0.28 -0.29 -0.00 0.00 0.00 178.15 178.57 1k0s h ILE 142 N 0.37 1.17 -0.94 2.19 6.09 -1.50 -0.21 117.51 124.68 1k0s h ILE 142 Ca 0.10 -0.41 0.25 0.00 -1.37 0.00 0.00 64.86 63.43 1k0s h ILE 142 Cb 0.33 0.53 -0.13 0.00 0.47 0.00 0.00 36.82 38.02 1k0s h ILE 142 CO 0.00 0.18 0.46 -0.33 -3.07 0.00 0.00 178.15 175.39 1k0s h GLU 143 N 0.67 0.40 -0.02 2.19 4.39 -1.16 0.97 114.58 122.02 1k0s h GLU 143 Ca 0.18 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 1k0s h GLU 143 Cb 0.03 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1k0s h GLU 143 CO -0.03 0.26 -0.69 0.93 -1.16 0.00 0.00 179.01 178.32 1k0s h GLU 144 N 0.41 0.11 -0.42 2.33 4.39 -0.69 0.12 114.58 120.83 1k0s h GLU 144 Ca 0.62 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 60.29 1k0s h GLU 144 Cb 1.23 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1k0s h GLU 144 CO -0.55 0.76 0.06 0.82 -1.16 0.00 0.00 179.01 178.94 1k0s h ILE 145 N 0.08 0.75 0.08 3.13 2.04 0.27 0.52 117.51 124.37 1k0s h ILE 145 Ca -0.01 -0.06 -0.22 0.00 1.00 0.00 0.00 64.86 65.57 1k0s h ILE 145 Cb 1.22 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1k0s h ILE 145 CO 0.10 0.03 -1.13 0.71 0.00 0.00 0.00 178.15 177.86 1k0s h THR 146 N 0.18 1.16 -0.43 -0.27 1.35 -1.41 -3.35 112.91 110.14 1k0s h THR 146 Ca 0.21 -2.36 0.09 0.00 -0.55 0.00 0.00 66.41 63.80 1k0s h THR 146 Cb 0.27 2.75 -0.02 0.00 -1.73 0.00 0.00 68.15 69.42 1k0s h THR 146 CO -0.29 0.61 0.30 0.58 -0.25 0.00 0.00 175.52 176.47 1k0s h VAL 147 N -0.55 0.87 -0.90 6.82 2.07 -0.70 -2.64 116.25 121.21 1k0s h VAL 147 Ca -0.26 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 67.42 1k0s h VAL 147 Cb 1.54 0.68 -0.17 0.00 -1.52 0.00 0.00 31.29 31.83 1k0s h VAL 147 CO 0.00 0.03 -0.07 0.50 0.02 0.00 0.00 177.57 178.05 1k0s h LYS 148 N 0.17 0.03 -0.70 1.57 1.63 -0.08 -3.42 116.57 115.77 1k0s h LYS 148 Ca 0.20 -0.00 0.23 0.00 -0.85 0.00 0.00 60.65 60.23 1k0s h LYS 148 Cb 0.57 -0.01 -0.32 0.00 -0.60 0.00 0.00 32.23 31.88 1k0s h LYS 148 CO -0.03 0.02 0.70 -2.00 -3.45 0.00 0.00 179.45 174.69 1k0s s GLU 149 N -6.12 0.02 0.00 1.90 2.12 -1.00 -5.01 118.70 110.62 1k0s s GLU 149 Ca -0.14 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1k0s s GLU 149 Cb 0.26 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.66 1k0s s GLU 149 CO 0.77 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.89 1k0s n GLY 150 N 3.57 0.00 0.00 -1.50 0.00 -1.26 -4.26 105.19 101.74 1k0s n GLY 150 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1k0s n GLY 150 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87