#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 0.02 0.03 5.02 -1.26 -5.11 118.16 116.86 1k0s n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k0s n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1k0s n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1k0s n THR 3 N 0.00 0.00 -0.01 -0.18 -2.24 -1.26 -4.92 114.28 105.67 1k0s n THR 3 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1k0s n THR 3 Cb 0.00 -0.07 0.45 0.00 -2.10 0.00 0.00 70.33 68.61 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1k0s h LEU 4 N 0.00 0.43 -2.85 3.22 8.10 -2.07 -3.47 115.31 118.67 1k0s h LEU 4 Ca 0.00 -0.01 -0.30 0.00 0.11 0.00 0.00 57.88 57.69 1k0s h LEU 4 Cb 0.00 -0.10 0.10 0.00 -0.44 0.00 0.00 40.66 40.22 1k0s h LEU 4 CO 0.00 0.30 -0.75 0.00 -4.11 0.00 0.00 178.44 173.88 1k0s n ALA 5 N -2.49 -2.54 -1.80 0.17 0.00 -1.26 -4.66 120.51 107.93 1k0s n ALA 5 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1k0s n ALA 5 Cb 0.13 -3.94 0.00 0.00 0.00 0.00 0.00 19.45 15.64 1k0s n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k0s n ASP 6 N -2.68 -9.00 0.00 0.00 8.00 -1.26 -5.04 116.55 106.57 1k0s n ASP 6 Ca -0.08 1.33 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1k0s n ASP 6 Cb 0.59 -5.13 0.00 0.00 -0.02 0.00 0.00 41.12 36.56 1k0s n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k0s n ALA 7 N -0.25 0.00 -4.22 2.24 0.00 -1.26 -5.03 120.51 111.99 1k0s n ALA 7 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1k0s n ALA 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.62 -0.07 0.00 4.77 -1.26 -4.87 117.00 113.95 1k0s n LEU 8 Ca 0.00 -1.07 -0.12 0.00 -0.03 0.00 0.00 56.01 54.79 1k0s n LEU 8 Cb 0.00 -1.99 -0.09 0.00 -2.33 0.00 0.00 43.42 39.00 1k0s n LEU 8 CO 0.00 0.32 0.12 0.11 -1.33 0.00 0.00 177.39 176.61 1k0s h LYS 9 N -1.53 0.00 -4.35 3.23 1.79 -1.96 -3.35 116.57 110.40 1k0s h LYS 9 Ca -0.61 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 57.70 1k0s h LYS 9 Cb 1.38 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.89 1k0s h LYS 9 CO 0.75 0.74 -0.63 -1.21 -1.08 0.00 0.00 179.45 178.02 1k0s s GLU 10 N -2.11 0.87 -0.22 3.15 2.02 -1.26 -3.95 118.70 117.20 1k0s s GLU 10 Ca -0.17 -1.37 -0.20 0.00 0.02 0.00 0.00 54.97 53.25 1k0s s GLU 10 Cb -0.01 0.24 0.06 0.00 0.10 0.00 0.00 34.13 34.53 1k0s s GLU 10 CO 0.51 -0.24 0.59 0.12 0.02 0.00 0.00 175.26 176.26 1k0s s PHE 11 N -4.02 -0.67 0.06 1.61 5.36 0.30 -4.72 117.98 115.91 1k0s s PHE 11 Ca 0.20 1.61 -0.20 0.00 -0.96 0.00 0.00 56.93 57.58 1k0s s PHE 11 Cb 0.07 0.24 -0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1k0s s PHE 11 CO -0.01 -0.32 0.59 -1.83 -1.46 0.00 0.00 175.22 172.19 1k0s s GLU 12 N 0.39 4.26 0.26 10.12 -1.05 -1.25 0.42 118.70 131.85 1k0s s GLU 12 Ca -0.01 0.77 -0.16 0.00 -0.15 0.00 0.00 54.97 55.43 1k0s s GLU 12 Cb -0.04 -3.27 0.01 0.00 -0.44 0.00 0.00 34.13 30.39 1k0s s GLU 12 CO -0.00 0.57 0.57 0.54 0.95 0.00 0.00 175.26 177.89 1k0s s VAL 13 N -0.89 0.00 -0.04 1.83 0.11 0.25 -4.42 120.40 117.24 1k0s s VAL 13 Ca 0.30 -1.25 -0.21 0.00 -2.93 0.00 0.00 61.98 57.89 1k0s s VAL 13 Cb -0.19 -2.15 -0.05 0.00 -1.53 0.00 0.00 36.38 32.46 1k0s s VAL 13 CO 0.19 0.00 0.61 -0.22 -3.33 0.00 0.00 175.10 172.35 1k0s s LEU 14 N -2.99 4.37 0.02 2.54 1.98 -0.87 0.15 118.68 123.88 1k0s s LEU 14 Ca 0.18 1.12 -0.05 0.00 -2.89 0.00 0.00 54.13 52.49 1k0s s LEU 14 Cb -0.03 -2.94 -0.01 0.00 0.66 0.00 0.00 46.19 43.88 1k0s s LEU 14 CO 0.09 0.02 0.08 -0.94 -1.89 0.00 0.00 176.35 173.71 1k0s s SER 15 N 0.21 0.16 0.15 3.68 1.04 0.14 -1.20 113.70 117.87 1k0s s SER 15 Ca 0.32 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 1k0s s SER 15 Cb -0.18 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1k0s s SER 15 CO 0.16 -0.43 0.35 0.72 0.98 0.00 0.00 173.24 175.03 1k0s s PHE 16 N -2.05 0.08 0.08 5.02 -0.12 0.15 0.14 117.98 121.28 1k0s s PHE 16 Ca -0.10 -0.44 -0.20 0.00 -0.05 0.00 0.00 56.93 56.14 1k0s s PHE 16 Cb -0.05 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.40 1k0s s PHE 16 CO -0.02 -0.73 0.60 -1.21 -0.05 0.00 0.00 175.22 173.81 1k0s s GLU 17 N -3.88 4.26 -0.40 1.99 2.02 -0.52 -1.06 118.70 121.11 1k0s s GLU 17 Ca 0.09 0.80 0.01 0.00 0.02 0.00 0.00 54.97 55.90 1k0s s GLU 17 Cb 0.02 -3.25 0.14 0.00 0.10 0.00 0.00 34.13 31.14 1k0s s GLU 17 CO -0.06 0.62 0.22 0.42 0.02 0.00 0.00 175.26 176.49 1k0s s ILE 18 N -1.08 0.81 -1.17 -1.63 -1.09 0.24 -4.06 121.20 113.21 1k0s s ILE 18 Ca 0.30 -2.15 -0.29 0.00 -2.23 0.00 0.00 60.65 56.29 1k0s s ILE 18 Cb -0.20 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1k0s s ILE 18 CO 0.20 -0.94 0.73 0.47 -1.23 0.00 0.00 174.94 174.18 1k0s n ASP 19 N 3.79 -4.70 0.00 3.58 9.92 -1.26 -1.36 116.55 126.53 1k0s n ASP 19 Ca 0.10 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.19 1k0s n ASP 19 Cb 0.36 -2.42 0.00 0.00 -0.64 0.00 0.00 41.12 38.41 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 -4.64 0.00 -3.29 -1.24 1.02 -1.26 -4.75 120.64 106.47 1k0s n GLU 20 Ca -0.10 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.69 1k0s n GLU 20 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.94 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 4.01 0.59 3.49 -2.07 -0.46 -4.79 119.66 120.42 1k0s s GLN 21 Ca 0.00 0.55 -0.04 0.00 -1.82 0.00 0.00 55.36 54.06 1k0s s GLN 21 Cb 0.00 -2.82 0.02 0.00 -1.09 0.00 0.00 33.01 29.12 1k0s s GLN 21 CO 0.00 0.40 0.86 0.00 -1.32 0.00 0.00 175.29 175.24 1k0s s ALA 22 N -1.59 3.46 -0.16 2.60 0.00 -0.64 0.80 121.76 126.22 1k0s s ALA 22 Ca 0.42 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1k0s s ALA 22 Cb -0.14 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.60 1k0s s ALA 22 CO 0.20 -0.84 0.44 -1.17 0.00 0.00 0.00 175.76 174.39 1k0s s LEU 23 N -4.93 0.33 0.01 0.00 2.96 -0.22 0.40 118.68 117.22 1k0s s LEU 23 Ca 0.55 0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 55.24 1k0s s LEU 23 Cb -0.10 1.51 0.00 0.00 0.50 0.00 0.00 46.19 48.10 1k0s s LEU 23 CO 0.42 -0.16 0.18 0.00 -1.32 0.00 0.00 176.35 175.47 1k0s s ALA 24 N 0.20 -0.40 0.00 5.97 0.00 0.27 -0.67 121.76 127.13 1k0s s ALA 24 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1k0s s ALA 24 Cb -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1k0s s ALA 24 CO 0.01 -0.25 -0.09 -0.06 0.00 0.00 0.00 175.76 175.36 1k0s s PHE 25 N -1.66 0.82 -0.14 0.00 0.40 -0.34 -1.67 117.98 115.39 1k0s s PHE 25 Ca -0.12 -0.19 -0.38 0.00 -0.60 0.00 0.00 56.93 55.63 1k0s s PHE 25 Cb -0.06 -0.52 -0.15 0.00 0.51 0.00 0.00 43.02 42.80 1k0s s PHE 25 CO 0.01 -0.01 1.68 -0.40 0.70 0.00 0.00 175.22 177.19 1k0s n ASP 26 N 2.67 2.47 0.13 1.36 5.75 -0.99 -2.04 116.55 125.88 1k0s n ASP 26 Ca -0.14 1.07 0.09 0.00 -0.01 0.00 0.00 54.79 55.79 1k0s n ASP 26 Cb 0.57 -1.21 0.47 0.00 -1.03 0.00 0.00 41.12 39.92 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 4.20 1.18 -0.24 2.12 0.24 -1.26 -1.48 118.33 123.08 1k0s n VAL 27 Ca 0.24 0.63 -0.08 0.00 -2.04 0.00 0.00 64.34 63.09 1k0s n VAL 27 Cb 0.18 -1.62 0.04 0.00 -1.47 0.00 0.00 33.84 30.97 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 1.04 0.06 -1.34 3.32 -1.91 -3.25 116.42 114.34 1k0s h ASP 28 Ca 0.00 -0.23 -0.25 0.00 0.02 0.00 0.00 57.03 56.56 1k0s h ASP 28 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1k0s h ASP 28 CO 0.00 1.00 -1.34 -1.13 -1.72 0.00 0.00 179.24 176.05 1k0s h ASN 29 N 1.03 0.21 -3.11 6.45 -0.73 -1.53 -3.47 115.58 114.42 1k0s h ASN 29 Ca 0.21 -0.74 -0.53 0.00 1.87 0.00 0.00 56.30 57.12 1k0s h ASN 29 Cb 0.37 -0.07 0.04 0.00 0.27 0.00 0.00 38.32 38.94 1k0s h ASN 29 CO 0.00 1.56 0.79 -0.63 -0.37 0.00 0.00 177.43 178.79 1k0s s ILE 30 N -2.43 2.79 -0.07 2.57 -1.09 -0.67 0.63 121.20 122.93 1k0s s ILE 30 Ca -0.24 0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 58.77 1k0s s ILE 30 Cb 0.05 -3.39 -0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1k0s s ILE 30 CO 0.69 0.07 -0.03 -0.33 -1.23 0.00 0.00 174.94 174.11 1k0s h GLU 31 N 6.00 0.00 -2.21 2.79 4.39 -0.42 -3.44 114.58 121.69 1k0s h GLU 31 Ca -0.44 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.47 1k0s h GLU 31 Cb 1.21 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.79 1k0s h GLU 31 CO 0.84 0.00 0.59 1.41 -1.16 0.00 0.00 179.01 180.69 1k0s s MET 32 N -1.44 1.05 0.21 2.33 1.75 -1.15 -5.03 119.30 117.02 1k0s s MET 32 Ca -0.02 -0.61 -0.14 0.00 -1.25 0.00 0.00 55.69 53.66 1k0s s MET 32 Cb 0.00 0.34 -0.08 0.00 2.84 0.00 0.00 34.83 37.94 1k0s s MET 32 CO 0.03 -0.49 0.61 0.14 -0.65 0.00 0.00 175.02 174.66 1k0s s VAL 33 N -2.80 4.80 -0.10 10.11 -7.23 -1.26 -1.91 120.40 122.02 1k0s s VAL 33 Ca 0.16 0.82 -0.05 0.00 -1.81 0.00 0.00 61.98 61.10 1k0s s VAL 33 Cb -0.00 -3.70 0.04 0.00 0.56 0.00 0.00 36.38 33.28 1k0s s VAL 33 CO 0.02 0.08 0.22 0.27 -0.31 0.00 0.00 175.10 175.38 1k0s s ILE 34 N -1.66 -0.05 -0.23 -0.62 -4.36 0.14 -4.95 121.20 109.47 1k0s s ILE 34 Ca 0.44 0.16 -0.12 0.00 -0.26 0.00 0.00 60.65 60.87 1k0s s ILE 34 Cb -0.13 -0.35 -0.05 0.00 1.25 0.00 0.00 42.46 43.18 1k0s s ILE 34 CO 0.20 0.06 0.23 -1.61 0.24 0.00 0.00 174.94 174.06 1k0s s GLU 35 N 1.26 4.09 0.23 0.37 2.02 -1.26 0.36 118.70 125.77 1k0s s GLU 35 Ca -0.09 -0.14 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 1k0s s GLU 35 Cb -0.11 -3.55 0.04 0.00 0.10 0.00 0.00 34.13 30.61 1k0s s GLU 35 CO -0.08 0.01 0.49 1.63 0.02 0.00 0.00 175.26 177.33 1k0s n LYS 36 N 4.40 0.68 -3.60 1.61 5.02 -1.25 -4.93 118.16 120.09 1k0s n LYS 36 Ca -0.13 -1.33 -0.11 0.00 -2.02 0.00 0.00 58.31 54.72 1k0s n LYS 36 Cb 0.52 1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 37.14 1k0s n LYS 36 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k0s s SER 37 N -2.27 -0.45 -1.53 4.39 1.04 -1.26 -4.61 113.70 109.01 1k0s s SER 37 Ca 0.10 0.69 -0.09 0.00 0.48 0.00 0.00 55.95 57.13 1k0s s SER 37 Cb -0.03 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.79 1k0s s SER 37 CO 0.07 -0.28 0.65 -0.67 0.98 0.00 0.00 173.24 173.99 1k0s n ASP 38 N 1.49 -2.10 0.00 7.02 2.03 -1.26 -4.88 116.55 118.85 1k0s n ASP 38 Ca -0.12 -0.96 -0.01 0.00 0.52 0.00 0.00 54.79 54.22 1k0s n ASP 38 Cb 0.57 -3.13 -0.01 0.00 -0.72 0.00 0.00 41.12 37.83 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 -1.76 0.00 -3.28 5.18 2.04 -1.92 -3.44 117.51 114.33 1k0s h ILE 39 Ca -0.61 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.00 1k0s h ILE 39 Cb 1.38 0.00 -0.32 0.00 -0.74 0.00 0.00 36.82 37.14 1k0s h ILE 39 CO 0.68 0.00 -0.61 -0.89 0.00 0.00 0.00 178.15 177.33 1k0s s THR 40 N -3.14 -0.05 -0.12 -0.27 2.01 -1.26 -4.78 115.64 108.02 1k0s s THR 40 Ca -0.01 0.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 1k0s s THR 40 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1k0s s THR 40 CO 0.03 0.07 0.47 -2.16 -0.69 0.00 0.00 174.62 172.35 1k0s s PRO 41 N 1.15 4.34 -1.34 4.92 0.04 -1.26 -3.98 135.00 138.87 1k0s s PRO 41 Ca -0.09 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 1k0s s PRO 41 Cb -0.12 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.01 1k0s s PRO 41 CO -0.06 0.16 1.08 0.28 0.04 0.00 0.00 177.00 178.50 1k0s n VAL 42 N 3.66 -3.69 1.98 -0.36 0.31 -1.26 -4.88 118.33 114.10 1k0s n VAL 42 Ca -0.07 -0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1k0s n VAL 42 Cb 0.52 -4.05 0.63 0.00 -0.91 0.00 0.00 33.84 30.03 1k0s n VAL 42 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1k0s n PRO 43 N -4.70 0.99 -1.41 5.55 -0.02 -1.26 -4.92 135.00 129.24 1k0s n PRO 43 Ca -0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 1k0s n PRO 43 Cb 0.59 -1.34 0.04 0.00 -0.02 0.00 0.00 33.50 32.78 1k0s n PRO 43 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k0s n LYS 44 N -0.84 0.44 -2.68 -0.52 4.76 -1.20 -4.82 118.16 113.30 1k0s n LYS 44 Ca 0.16 0.18 -0.05 0.00 -2.87 0.00 0.00 58.31 55.73 1k0s n LYS 44 Cb 0.07 -1.70 0.08 0.00 -1.84 0.00 0.00 35.03 31.65 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1k0s n SER 45 N 0.43 -1.53 -2.56 4.39 2.88 -1.26 -4.99 113.62 110.99 1k0s n SER 45 Ca 0.11 -2.04 -0.13 0.00 -1.33 0.00 0.00 58.87 55.48 1k0s n SER 45 Cb 0.48 0.96 0.06 0.00 -0.75 0.00 0.00 64.21 64.95 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 1.35 -4.63 0.00 -1.46 3.00 -1.26 -4.92 116.66 108.74 1k0s n ARG 46 Ca 0.01 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 1k0s n ARG 46 Cb 0.70 -4.70 0.00 0.00 0.00 0.00 0.00 32.46 28.46 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 -3.42 0.00 -2.26 -0.14 8.25 -1.26 -4.90 115.22 111.49 1k0s n HIS 47 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.33 1k0s n HIS 47 Cb 0.59 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.72 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 0.00 -0.44 -2.91 4.41 7.35 -1.26 -2.64 117.46 121.97 1k0s n PHE 48 Ca 0.00 -0.41 -0.41 0.00 -0.76 0.00 0.00 57.45 55.87 1k0s n PHE 48 Cb 0.00 0.69 -0.04 0.00 0.35 0.00 0.00 39.48 40.48 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 0.03 4.95 -0.13 -2.13 1.01 -1.26 -4.79 120.40 118.07 1k0s s VAL 49 Ca 0.02 1.65 0.19 0.00 0.00 0.00 0.00 61.98 63.84 1k0s s VAL 49 Cb 0.09 -4.14 -0.17 0.00 0.00 0.00 0.00 36.38 32.17 1k0s s VAL 49 CO -0.03 0.15 0.68 -1.84 0.00 0.00 0.00 175.10 174.07 1k0s n GLU 50 N 4.31 0.64 -3.82 2.72 -0.00 -0.38 -3.27 120.64 120.84 1k0s n GLU 50 Ca 0.02 0.09 -0.09 0.00 -0.00 0.00 0.00 57.16 57.18 1k0s n GLU 50 Cb 0.50 -1.71 -0.05 0.00 -0.00 0.00 0.00 31.44 30.18 1k0s n GLU 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1k0s s GLY 51 N -4.77 0.12 0.16 -1.84 0.00 -0.93 -4.45 107.32 95.60 1k0s s GLY 51 Ca -0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 1k0s s GLY 51 CO 0.83 -0.46 0.37 -1.34 0.00 0.00 0.00 173.10 172.50 1k0s s VAL 52 N -3.91 0.06 -0.13 1.40 -7.23 -1.26 0.57 120.40 109.90 1k0s s VAL 52 Ca 0.12 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 1k0s s VAL 52 Cb 0.00 -1.59 0.07 0.00 0.56 0.00 0.00 36.38 35.42 1k0s s VAL 52 CO -0.01 -0.28 0.70 0.27 -0.31 0.00 0.00 175.10 175.47 1k0s s ILE 53 N -3.90 0.00 -0.02 -0.62 -4.36 -0.76 -4.38 121.20 107.16 1k0s s ILE 53 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.29 1k0s s ILE 53 Cb 0.02 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.68 1k0s s ILE 53 CO -0.04 0.00 0.60 0.21 0.24 0.00 0.00 174.94 175.95 1k0s s ASN 54 N -0.60 6.96 -0.25 4.36 3.84 -1.26 0.06 114.94 128.05 1k0s s ASN 54 Ca -0.07 1.14 -0.27 0.00 0.21 0.00 0.00 52.86 53.88 1k0s s ASN 54 Cb -0.02 -2.36 0.13 0.00 -0.55 0.00 0.00 41.25 38.45 1k0s s ASN 54 CO 0.06 0.08 1.05 -0.22 -2.79 0.00 0.00 177.10 175.28 1k0s s LEU 55 N -0.06 -0.40 -1.42 3.21 2.96 0.31 -4.95 118.68 118.34 1k0s s LEU 55 Ca 0.31 0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 54.84 1k0s s LEU 55 Cb -0.18 1.82 0.04 0.00 0.50 0.00 0.00 46.19 48.37 1k0s s LEU 55 CO 0.17 -0.20 0.78 -1.14 -1.32 0.00 0.00 176.35 174.64 1k0s n ARG 56 N 1.72 -4.91 -3.59 1.98 0.63 -1.26 -1.05 116.66 110.18 1k0s n ARG 56 Ca -0.12 0.58 -0.27 0.00 -0.92 0.00 0.00 57.85 57.13 1k0s n ARG 56 Cb 0.57 -5.22 0.03 0.00 0.45 0.00 0.00 32.46 28.28 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k0s n GLY 57 N -1.66 -0.51 3.64 5.14 0.00 -1.26 -4.95 105.19 105.59 1k0s n GLY 57 Ca -0.16 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1k0s n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k0s s ARG 58 N -6.29 0.45 -0.12 1.61 3.52 -0.21 -5.15 118.95 112.77 1k0s s ARG 58 Ca 0.53 0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 56.48 1k0s s ARG 58 Cb -0.26 0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 1k0s s ARG 58 CO 0.66 -0.06 0.61 0.42 -0.81 0.00 0.00 175.30 176.12 1k0s s ILE 59 N 0.31 5.09 -0.10 4.11 1.09 -1.26 -0.53 121.20 129.92 1k0s s ILE 59 Ca 0.02 1.22 -0.09 0.00 -1.10 0.00 0.00 60.65 60.70 1k0s s ILE 59 Cb -0.05 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.37 1k0s s ILE 59 CO -0.08 0.24 0.19 0.27 -0.10 0.00 0.00 174.94 175.46 1k0s s ILE 60 N 1.04 5.42 -0.35 2.92 -4.36 0.11 -4.87 121.20 121.10 1k0s s ILE 60 Ca 0.31 0.33 -0.17 0.00 -0.26 0.00 0.00 60.65 60.87 1k0s s ILE 60 Cb -0.16 -3.46 -0.01 0.00 1.25 0.00 0.00 42.46 40.08 1k0s s ILE 60 CO 0.13 0.61 0.44 -2.16 0.24 0.00 0.00 174.94 174.20 1k0s s PRO 61 N -1.03 3.56 0.10 0.37 0.04 -1.24 -1.83 135.00 134.97 1k0s s PRO 61 Ca 0.17 -0.32 -0.19 0.00 0.04 0.00 0.00 61.00 60.70 1k0s s PRO 61 Cb -0.13 -3.82 -0.07 0.00 0.04 0.00 0.00 34.50 30.53 1k0s s PRO 61 CO 0.06 -0.60 0.58 0.14 0.04 0.00 0.00 177.00 177.22 1k0s s VAL 62 N 2.21 4.73 0.05 -0.36 -7.23 0.19 0.22 120.40 120.20 1k0s s VAL 62 Ca 0.15 1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 61.46 1k0s s VAL 62 Cb -0.16 -3.88 -0.02 0.00 0.56 0.00 0.00 36.38 32.88 1k0s s VAL 62 CO 0.13 0.48 0.07 -0.69 -0.31 0.00 0.00 175.10 174.78 1k0s s VAL 63 N -1.19 0.15 -1.39 1.32 1.01 -0.68 -1.25 120.40 118.38 1k0s s VAL 63 Ca 0.31 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1k0s s VAL 63 Cb -0.19 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 1k0s s VAL 63 CO 0.19 -0.70 2.62 0.59 0.00 0.00 0.00 175.10 177.81 1k0s n ASN 64 N 0.58 7.01 -0.06 3.32 5.03 -1.26 -2.05 115.26 127.83 1k0s n ASN 64 Ca -0.18 -2.53 0.25 0.00 0.87 0.00 0.00 54.58 52.99 1k0s n ASN 64 Cb 0.59 -1.43 0.67 0.00 -1.02 0.00 0.00 39.78 38.60 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 7.92 0.00 -1.25 3.41 6.46 -1.85 0.49 115.31 130.50 1k0s h LEU 65 Ca 0.73 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.42 1k0s h LEU 65 Cb 0.30 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1k0s h LEU 65 CO 1.71 0.00 -0.30 0.00 -0.62 0.00 0.00 178.44 179.23 1k0s h ALA 66 N 1.24 1.14 0.08 1.25 0.00 -1.83 -2.13 119.26 119.01 1k0s h ALA 66 Ca 0.34 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1k0s h ALA 66 Cb 1.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1k0s h ALA 66 CO -0.00 0.37 -1.69 1.57 0.00 0.00 0.00 179.25 179.50 1k0s h LYS 67 N 0.00 0.17 -0.90 0.00 5.09 -0.19 1.73 116.57 122.47 1k0s h LYS 67 Ca -0.00 -0.30 0.05 0.00 0.09 0.00 0.00 60.65 60.49 1k0s h LYS 67 Cb 0.70 0.11 -0.06 0.00 0.10 0.00 0.00 32.23 33.08 1k0s h LYS 67 CO 0.04 0.96 0.58 0.97 -2.09 0.00 0.00 179.45 179.90 1k0s h ILE 68 N 0.05 1.10 0.07 0.07 2.10 -1.40 -1.75 117.51 117.74 1k0s h ILE 68 Ca -0.29 -0.37 -0.10 0.00 1.08 0.00 0.00 64.86 65.18 1k0s h ILE 68 Cb 2.01 -0.08 0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1k0s h ILE 68 CO 0.12 0.20 -0.43 0.25 -1.08 0.00 0.00 178.15 177.21 1k0s h LEU 69 N 1.08 0.26 0.00 2.19 7.12 -1.46 -3.46 115.31 121.03 1k0s h LEU 69 Ca 0.38 -0.94 0.00 0.00 0.13 0.00 0.00 57.88 57.44 1k0s h LEU 69 Cb 0.10 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1k0s h LEU 69 CO -0.15 1.19 0.00 0.61 -0.13 0.00 0.00 178.44 179.96 1k0s n GLY 70 N 1.55 2.08 0.84 3.75 0.00 0.59 -4.78 105.19 109.22 1k0s n GLY 70 Ca -0.12 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.12 -0.34 -0.61 -5.35 -1.23 -3.92 119.36 107.78 1k0s n ILE 71 Ca 0.00 0.23 0.28 0.00 -0.27 0.00 0.00 62.75 62.99 1k0s n ILE 71 Cb 0.00 -0.40 0.59 0.00 -1.74 0.00 0.00 39.64 38.09 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 0.30 -0.79 7.28 0.87 -1.86 -3.43 113.55 114.77 1k0s h SER 72 Ca -0.04 0.07 -0.37 0.00 -1.23 0.00 0.00 61.79 60.22 1k0s h SER 72 Cb 0.92 0.03 0.08 0.00 -0.44 0.00 0.00 62.40 62.98 1k0s h SER 72 CO 0.02 0.02 -0.44 0.33 -0.53 0.00 0.00 176.83 176.24 1k0s n PHE 73 N -4.52 -0.81 -2.58 2.24 7.35 -1.25 -4.86 117.46 113.02 1k0s n PHE 73 Ca 0.27 0.44 -0.01 0.00 -0.76 0.00 0.00 57.45 57.39 1k0s n PHE 73 Cb 1.06 -1.05 0.05 0.00 0.35 0.00 0.00 39.48 39.88 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 1.25 -0.71 -3.47 -2.13 2.03 -1.26 -4.93 116.55 107.32 1k0s n ASP 74 Ca 0.08 -1.55 -0.25 0.00 0.52 0.00 0.00 54.79 53.59 1k0s n ASP 74 Cb 0.19 0.39 0.05 0.00 -0.72 0.00 0.00 41.12 41.03 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0s n GLU 75 N -0.61 -6.04 0.00 -0.67 -0.58 -1.26 -4.94 120.64 106.54 1k0s n GLU 75 Ca -0.09 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1k0s n GLU 75 Cb 0.66 -5.70 0.00 0.00 -0.57 0.00 0.00 31.44 25.83 1k0s n GLU 75 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1k0s n GLN 76 N -4.52 0.00 0.09 3.49 6.02 -1.26 -4.72 117.38 116.48 1k0s n GLN 76 Ca -0.02 0.18 0.10 0.00 -0.01 0.00 0.00 57.00 57.25 1k0s n GLN 76 Cb 0.57 -0.62 -0.02 0.00 1.02 0.00 0.00 30.24 31.19 1k0s n GLN 76 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1k0s n LYS 77 N -1.95 0.61 -0.08 -1.09 3.00 -1.26 -5.01 118.16 112.38 1k0s n LYS 77 Ca 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 58.31 58.39 1k0s n LYS 77 Cb 0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 35.03 33.23 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1k0s n MET 78 N -2.67 0.00 0.00 1.64 2.81 -1.26 -4.74 117.12 112.90 1k0s n MET 78 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1k0s n MET 78 Cb 0.59 -0.06 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 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 0.06 0.00 -2.52 0.03 2.85 0.85 -4.85 118.16 114.59 1k0s n LYS 79 Ca 0.01 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.02 1k0s n LYS 79 Cb 0.01 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.43 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1k0s s SER 80 N -0.94 5.40 0.05 -5.58 0.01 0.17 -3.95 113.70 108.86 1k0s s SER 80 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1k0s s SER 80 Cb 0.00 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.82 1k0s s SER 80 CO 0.00 -1.13 -0.04 -0.63 0.41 0.00 0.00 173.24 171.85 1k0s s ILE 81 N -2.92 0.33 0.12 1.44 1.01 0.16 0.33 121.20 121.67 1k0s s ILE 81 Ca 0.55 -1.52 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1k0s s ILE 81 Cb -0.10 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1k0s s ILE 81 CO 0.42 -0.77 -0.10 -0.63 0.00 0.00 0.00 174.94 173.86 1k0s s ILE 82 N -2.94 1.01 0.02 2.92 1.01 0.18 0.25 121.20 123.65 1k0s s ILE 82 Ca 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 60.65 58.81 1k0s s ILE 82 Cb 0.01 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1k0s s ILE 82 CO -0.05 -0.70 -0.12 -0.69 0.00 0.00 0.00 174.94 173.38 1k0s s VAL 83 N -3.04 0.97 0.32 2.92 1.01 -0.80 -0.76 120.40 121.02 1k0s s VAL 83 Ca 0.12 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1k0s s VAL 83 Cb 0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1k0s s VAL 83 CO -0.01 0.11 0.27 0.00 0.00 0.00 0.00 175.10 175.47 1k0s s ALA 84 N -0.59 1.76 -0.05 5.51 0.00 0.23 0.28 121.76 128.90 1k0s s ALA 84 Ca 0.02 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 49.98 1k0s s ALA 84 Cb -0.06 1.46 0.02 0.00 0.00 0.00 0.00 23.12 24.54 1k0s s ALA 84 CO 0.00 -0.66 -0.07 0.50 0.00 0.00 0.00 175.76 175.54 1k0s s ARG 85 N -3.52 1.05 -0.26 0.00 3.52 0.20 0.43 118.95 120.37 1k0s s ARG 85 Ca 0.40 -0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.78 1k0s s ARG 85 Cb 0.03 -0.97 0.09 0.00 -1.56 0.00 0.00 34.95 32.54 1k0s s ARG 85 CO 0.26 -0.04 0.10 0.95 -0.81 0.00 0.00 175.30 175.76 1k0s s THR 86 N 0.80 0.20 -1.49 4.11 -4.23 0.39 -4.67 115.64 110.75 1k0s s THR 86 Ca -0.12 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1k0s s THR 86 Cb -0.15 -1.06 0.04 0.00 1.34 0.00 0.00 72.50 72.68 1k0s s THR 86 CO 0.01 -0.57 0.50 1.17 -0.54 0.00 0.00 174.62 175.19 1k0s n LYS 87 N 5.15 -3.20 -1.71 3.99 3.00 -1.26 -0.60 118.16 123.53 1k0s n LYS 87 Ca -0.06 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1k0s n LYS 87 Cb 0.44 -4.65 0.00 0.00 0.00 0.00 0.00 35.03 30.82 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k0s n ASP 88 N -2.90 -1.20 -3.93 3.14 8.00 -1.26 -5.05 116.55 113.36 1k0s n ASP 88 Ca -0.21 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.99 1k0s n ASP 88 Cb 0.63 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.00 1.53 -0.67 2.53 1.01 0.23 -5.06 120.40 117.97 1k0s s VAL 89 Ca 0.00 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.47 1k0s s VAL 89 Cb 0.00 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.62 1k0s s VAL 89 CO 0.00 -0.16 0.97 -0.70 0.00 0.00 0.00 175.10 175.21 1k0s s GLU 90 N 1.38 3.13 0.41 2.72 2.12 -1.25 0.15 118.70 127.37 1k0s s GLU 90 Ca -0.04 -0.89 -0.06 0.00 0.36 0.00 0.00 54.97 54.34 1k0s s GLU 90 Cb -0.19 -4.27 -0.05 0.00 0.26 0.00 0.00 34.13 29.89 1k0s s GLU 90 CO -0.07 -1.81 0.71 0.08 -0.54 0.00 0.00 175.26 173.63 1k0s s VAL 91 N 3.98 4.92 0.20 3.70 1.01 0.17 -3.63 120.40 130.75 1k0s s VAL 91 Ca 0.22 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.50 1k0s s VAL 91 Cb -0.16 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1k0s s VAL 91 CO 0.09 -0.64 -0.16 -0.83 0.00 0.00 0.00 175.10 173.56 1k0s s GLY 92 N -3.69 1.47 -0.26 4.51 0.00 0.13 0.74 107.32 110.22 1k0s s GLY 92 Ca 0.47 -1.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.43 1k0s s GLY 92 CO 0.38 -1.70 0.63 -0.12 0.00 0.00 0.00 173.10 172.29 1k0s s PHE 93 N -2.58 -1.02 -0.13 1.90 5.36 0.06 -1.68 117.98 119.89 1k0s s PHE 93 Ca 0.21 2.01 -0.21 0.00 -0.96 0.00 0.00 56.93 57.98 1k0s s PHE 93 Cb -0.03 0.59 -0.03 0.00 -0.34 0.00 0.00 43.02 43.21 1k0s s PHE 93 CO 0.08 -0.52 0.62 -1.17 -1.46 0.00 0.00 175.22 172.77 1k0s s LEU 94 N 1.78 4.24 0.00 6.12 2.96 -0.87 0.52 118.68 133.42 1k0s s LEU 94 Ca -0.09 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1k0s s LEU 94 Cb -0.07 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 1k0s s LEU 94 CO -0.19 -0.15 0.11 1.33 -1.32 0.00 0.00 176.35 176.14 1k0s n VAL 95 N 4.12 0.00 0.00 1.68 0.24 0.15 -4.63 118.33 119.89 1k0s n VAL 95 Ca -0.03 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 1k0s n VAL 95 Cb 0.51 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -2.04 0.00 -3.81 -1.34 2.03 -1.26 0.43 116.55 110.56 1k0s n ASP 96 Ca 0.01 0.01 -0.29 0.00 0.52 0.00 0.00 54.79 55.04 1k0s n ASP 96 Cb 0.32 -0.02 -0.16 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.04 1.00 -0.36 -0.67 3.52 -1.26 0.05 118.95 121.19 1k0s s ARG 97 Ca 0.00 -0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 54.64 1k0s s ARG 97 Cb 0.00 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1k0s s ARG 97 CO 0.00 -0.69 0.72 0.54 -0.81 0.00 0.00 175.30 175.06 1k0s s VAL 98 N 1.65 4.81 0.45 7.11 0.11 -1.26 -1.44 120.40 131.82 1k0s s VAL 98 Ca -0.01 0.75 0.18 0.00 -2.93 0.00 0.00 61.98 59.98 1k0s s VAL 98 Cb -0.18 -4.15 0.22 0.00 -1.53 0.00 0.00 36.38 30.75 1k0s s VAL 98 CO -0.10 -0.37 2.03 -0.07 -3.33 0.00 0.00 175.10 173.25 1k0s h LEU 99 N 9.56 0.00 0.00 2.54 -0.00 0.80 -3.47 115.31 124.75 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 0.16 0.00 0.61 -0.00 0.00 0.00 178.44 180.08 1k0s n GLY 100 N -0.95 1.04 3.63 0.83 0.00 -0.35 -4.90 105.19 104.48 1k0s n GLY 100 Ca -0.02 -0.91 -0.48 0.00 0.00 0.00 0.00 46.02 44.60 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 0.22 -4.22 1.61 0.24 -1.25 -0.69 118.33 114.24 1k0s n VAL 101 Ca 0.00 -0.06 -0.17 0.00 -2.04 0.00 0.00 64.34 62.07 1k0s n VAL 101 Cb 0.00 -1.18 -0.15 0.00 -1.47 0.00 0.00 33.84 31.05 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 0.62 1.91 -1.28 1.34 2.96 0.39 -4.80 118.68 119.82 1k0s s LEU 102 Ca 0.79 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.48 1k0s s LEU 102 Cb -0.80 -0.35 0.16 0.00 0.50 0.00 0.00 46.19 45.70 1k0s s LEU 102 CO 0.44 0.06 1.80 -2.11 -1.32 0.00 0.00 176.35 175.23 1k0s n ARG 103 N 3.08 3.53 -3.17 1.98 1.85 -1.26 -0.58 116.66 122.09 1k0s n ARG 103 Ca -0.15 -3.54 -0.39 0.00 -1.00 0.00 0.00 57.85 52.77 1k0s n ARG 103 Cb 0.57 -2.98 -0.05 0.00 -1.05 0.00 0.00 32.46 28.95 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.83 5.11 0.26 8.89 -1.09 0.17 -4.81 121.20 130.56 1k0s s ILE 104 Ca 0.41 1.22 -0.12 0.00 -2.23 0.00 0.00 60.65 59.93 1k0s s ILE 104 Cb 0.07 -3.94 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1k0s s ILE 104 CO 0.00 0.29 0.63 0.42 -1.23 0.00 0.00 174.94 175.05 1k0s s THR 105 N 0.69 4.82 -0.48 2.92 -4.23 -1.26 0.11 115.64 118.20 1k0s s THR 105 Ca 0.32 0.70 0.04 0.00 -1.18 0.00 0.00 61.69 61.57 1k0s s THR 105 Cb -0.17 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.22 1k0s s THR 105 CO 0.15 -0.10 0.37 -0.70 -0.54 0.00 0.00 174.62 173.80 1k0s s GLU 106 N -2.83 1.30 0.00 3.99 2.56 -1.25 -4.83 118.70 117.64 1k0s s GLU 106 Ca 0.50 -2.40 0.26 0.00 0.00 0.00 0.00 54.97 53.34 1k0s s GLU 106 Cb -0.11 -1.95 0.78 0.00 2.00 0.00 0.00 34.13 34.85 1k0s s GLU 106 CO 0.19 -1.35 1.59 0.09 -0.56 0.00 0.00 175.26 175.22 1k0s n ASN 107 N 2.68 0.71 -0.01 -1.70 5.03 -1.26 -4.00 115.26 116.71 1k0s n ASN 107 Ca 0.26 -0.56 -0.11 0.00 0.87 0.00 0.00 54.58 55.05 1k0s n ASN 107 Cb 0.44 0.10 -0.09 0.00 -1.02 0.00 0.00 39.78 39.21 1k0s n ASN 107 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1k0s h GLN 108 N 0.65 -0.08 -2.32 3.52 1.08 -1.92 -3.34 115.11 112.71 1k0s h GLN 108 Ca 0.00 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1k0s h GLN 108 Cb 0.48 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1k0s h GLN 108 CO 0.00 0.50 0.06 1.28 -0.95 0.00 0.00 178.83 179.72 1k0s n LEU 109 N -4.78 2.33 -4.62 1.46 4.77 -1.26 -1.37 117.00 113.53 1k0s n LEU 109 Ca -0.07 -1.41 -0.43 0.00 -0.03 0.00 0.00 56.01 54.06 1k0s n LEU 109 Cb 0.30 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1k0s n LEU 109 CO 0.25 0.46 1.13 -0.62 -1.33 0.00 0.00 177.39 177.28 1k0s s ASP 110 N 2.32 6.60 0.00 -1.43 2.15 -1.26 -4.10 116.67 120.95 1k0s s ASP 110 Ca 0.17 0.98 0.00 0.00 0.43 0.00 0.00 52.55 54.13 1k0s s ASP 110 Cb 0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1k0s s ASP 110 CO 0.00 -1.18 0.00 0.18 -0.17 0.00 0.00 175.17 174.00 1k0s n LEU 111 N 7.90 0.00 -2.67 -1.34 4.77 -1.26 -3.81 117.00 120.60 1k0s n LEU 111 Ca 0.15 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1k0s n LEU 111 Cb 0.47 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1k0s n LEU 111 CO 0.66 0.00 0.62 1.07 -1.33 0.00 0.00 177.39 178.41 1k0s n THR 112 N 0.00 0.00 -3.59 -5.08 5.66 -1.26 -5.03 114.28 104.97 1k0s n THR 112 Ca 0.00 -0.66 -0.21 0.00 -3.05 0.00 0.00 64.05 60.13 1k0s n THR 112 Cb 0.00 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 1.31 -5.59 -1.61 1.09 6.94 -1.25 -4.78 115.26 111.37 1k0s n ASN 113 Ca -0.00 -0.67 -0.01 0.00 -0.02 0.00 0.00 54.58 53.88 1k0s n ASN 113 Cb 0.72 -2.50 -0.02 0.00 -2.36 0.00 0.00 39.78 35.61 1k0s n ASN 113 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1k0s n VAL 114 N -2.16 1.92 0.00 3.53 0.24 -0.47 -4.67 118.33 116.73 1k0s n VAL 114 Ca -0.22 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1k0s n VAL 114 Cb 0.65 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 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 1.66 0.00 0.05 -1.34 2.88 -1.26 -4.99 113.62 110.62 1k0s n SER 115 Ca 0.05 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.48 1k0s n SER 115 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1k0s n SER 115 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1k0s h ASP 116 N 0.00 -0.17 0.00 -3.46 5.19 -1.89 -3.46 116.42 112.63 1k0s h ASP 116 Ca 0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1k0s h ASP 116 Cb 0.00 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1k0s h ASP 116 CO 0.00 0.40 0.00 0.29 -3.12 0.00 0.00 179.24 176.81 1k0s n LYS 117 N -4.91 0.00 -2.33 3.56 4.76 -1.26 -3.05 118.16 114.93 1k0s n LYS 117 Ca -0.08 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.36 1k0s n LYS 117 Cb 0.27 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.50 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1k0s n PHE 118 N 0.00 0.98 0.76 2.13 7.35 -1.26 -4.90 117.46 122.52 1k0s n PHE 118 Ca 0.00 -1.67 0.00 0.00 -0.76 0.00 0.00 57.45 55.02 1k0s n PHE 118 Cb 0.00 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.61 1k0s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k0s n GLY 119 N -0.32 1.46 0.20 7.13 0.00 -1.17 -3.60 105.19 108.88 1k0s n GLY 119 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1k0s n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1k0s h LYS 120 N 0.44 0.41 -0.01 1.61 3.64 -1.91 -3.37 116.57 117.37 1k0s h LYS 120 Ca 0.00 -0.24 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1k0s h LYS 120 Cb 0.70 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.39 1k0s h LYS 120 CO 0.00 0.82 -0.30 1.17 -2.27 0.00 0.00 179.45 178.87 1k0s n LYS 121 N -3.96 0.99 0.00 1.90 3.00 -1.24 -5.06 118.16 113.78 1k0s n LYS 121 Ca -0.02 -1.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.08 1k0s n LYS 121 Cb 0.57 0.41 0.00 0.00 0.00 0.00 0.00 35.03 36.00 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 122 N -1.10 0.50 -0.79 3.14 3.41 -1.24 -3.66 113.62 113.90 1k0s n SER 122 Ca -0.20 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.37 1k0s n SER 122 Cb 0.83 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 1k0s n SER 122 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k0s n LYS 123 N 0.00 0.00 -3.76 4.33 5.02 -1.26 -4.25 118.16 118.24 1k0s n LYS 123 Ca 0.00 -0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 55.58 1k0s n LYS 123 Cb 0.00 0.31 -0.08 0.00 -0.02 0.00 0.00 35.03 35.24 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1k0s s GLY 124 N -0.59 -0.11 -0.27 0.72 0.00 0.16 -4.74 107.32 102.49 1k0s s GLY 124 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 44.72 44.49 1k0s s GLY 124 CO 0.00 -0.20 0.71 -2.27 0.00 0.00 0.00 173.10 171.34 1k0s s LEU 125 N -1.99 -0.71 0.12 0.66 1.98 -1.23 -1.92 118.68 115.59 1k0s s LEU 125 Ca -0.06 1.43 -0.12 0.00 -2.89 0.00 0.00 54.13 52.48 1k0s s LEU 125 Cb -0.01 2.42 0.01 0.00 0.66 0.00 0.00 46.19 49.27 1k0s s LEU 125 CO -0.03 -0.25 0.31 0.54 -1.89 0.00 0.00 176.35 175.04 1k0s s VAL 126 N 0.43 0.09 -0.26 1.68 0.11 0.15 -4.78 120.40 117.81 1k0s s VAL 126 Ca -0.00 -0.93 -0.17 0.00 -2.93 0.00 0.00 61.98 57.95 1k0s s VAL 126 Cb -0.05 -1.35 0.07 0.00 -1.53 0.00 0.00 36.38 33.53 1k0s s VAL 126 CO 0.00 -0.43 0.66 -1.59 -3.33 0.00 0.00 175.10 170.41 1k0s s LYS 127 N -3.85 0.70 -0.26 1.54 0.00 -1.26 -0.08 119.74 116.53 1k0s s LYS 127 Ca 0.06 1.11 -0.25 0.00 0.00 0.00 0.00 55.97 56.89 1k0s s LYS 127 Cb 0.03 0.19 0.10 0.00 0.00 0.00 0.00 37.83 38.15 1k0s s LYS 127 CO -0.09 -0.14 0.88 0.99 0.00 0.00 0.00 175.35 176.99 1k0s s THR 128 N 1.28 0.00 -1.11 3.79 2.01 -0.66 -4.92 115.64 116.03 1k0s s THR 128 Ca -0.07 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 1k0s s THR 128 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1k0s s THR 128 CO -0.14 0.00 0.95 0.47 -0.69 0.00 0.00 174.62 175.21 1k0s n ASP 129 N 2.32 -3.67 -1.97 3.53 9.92 -1.26 -1.33 116.55 124.09 1k0s n ASP 129 Ca -0.13 -0.52 -0.17 0.00 -0.53 0.00 0.00 54.79 53.44 1k0s n ASP 129 Cb 0.56 -4.54 -0.04 0.00 -0.64 0.00 0.00 41.12 36.46 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k0s n GLY 130 N -1.42 0.53 3.42 0.44 0.00 -1.26 -4.93 105.19 101.96 1k0s n GLY 130 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1k0s n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s s ARG 131 N -4.25 3.59 -1.14 1.61 0.52 -0.44 -5.04 118.95 113.80 1k0s s ARG 131 Ca 0.00 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 1k0s s ARG 131 Cb 0.00 -3.21 0.15 0.00 0.52 0.00 0.00 34.95 32.42 1k0s s ARG 131 CO 0.00 -0.15 1.37 -0.51 0.02 0.00 0.00 175.30 176.02 1k0s s LEU 132 N 1.47 4.98 -0.06 2.53 1.43 -1.26 -1.66 118.68 126.10 1k0s s LEU 132 Ca 0.05 -2.70 -0.21 0.00 -1.03 0.00 0.00 54.13 50.24 1k0s s LEU 132 Cb -0.15 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1k0s s LEU 132 CO 0.02 -0.86 0.60 -0.63 0.23 0.00 0.00 176.35 175.71 1k0s s ILE 133 N 2.03 5.05 0.23 -0.59 1.01 0.88 -1.63 121.20 128.19 1k0s s ILE 133 Ca 0.41 1.24 -0.13 0.00 0.00 0.00 0.00 60.65 62.17 1k0s s ILE 133 Cb -0.03 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 1k0s s ILE 133 CO -0.02 0.32 0.61 -0.63 0.00 0.00 0.00 174.94 175.22 1k0s s ILE 134 N 0.47 4.82 0.02 2.92 1.09 0.16 0.32 121.20 131.01 1k0s s ILE 134 Ca 0.32 0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 60.60 1k0s s ILE 134 Cb -0.17 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.55 1k0s s ILE 134 CO 0.16 -0.00 0.01 -0.47 -0.10 0.00 0.00 174.94 174.53 1k0s s TYR 135 N -1.75 0.25 -0.15 3.97 5.04 -0.81 0.97 117.35 124.87 1k0s s TYR 135 Ca 0.46 -0.54 -0.30 0.00 -2.44 0.00 0.00 57.07 54.26 1k0s s TYR 135 Cb -0.12 -0.19 0.13 0.00 0.35 0.00 0.00 41.96 42.13 1k0s s TYR 135 CO 0.20 -0.25 1.00 -0.48 -1.34 0.00 0.00 175.55 174.68 1k0s s LEU 136 N -1.72 -0.36 -0.50 6.97 -0.00 -0.67 0.39 118.68 122.79 1k0s s LEU 136 Ca -0.11 0.36 0.02 0.00 -0.00 0.00 0.00 54.13 54.40 1k0s s LEU 136 Cb -0.06 1.84 0.59 0.00 -0.00 0.00 0.00 46.19 48.56 1k0s s LEU 136 CO -0.02 -0.35 1.93 -0.90 -0.00 0.00 0.00 176.35 177.01 1k0s n ASP 137 N 0.65 4.87 -1.61 1.48 5.68 -1.26 -2.35 116.55 124.01 1k0s n ASP 137 Ca -0.10 -3.61 -0.00 0.00 -0.50 0.00 0.00 54.79 50.58 1k0s n ASP 137 Cb 0.58 -0.87 -0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 -1.02 -0.00 0.02 2.12 3.06 -1.26 -4.79 119.36 117.49 1k0s n ILE 138 Ca 0.59 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.81 1k0s n ILE 138 Cb 1.35 -0.02 -0.01 0.00 0.54 0.00 0.00 39.64 41.50 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 -0.14 0.77 9.51 1.82 -1.93 -2.62 116.42 123.83 1k0s h ASP 139 Ca -0.00 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1k0s h ASP 139 Cb 0.41 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1k0s h ASP 139 CO 0.00 0.32 -0.66 0.11 -1.61 0.00 0.00 179.24 177.41 1k0s h LYS 140 N -1.00 0.00 -0.11 0.28 1.79 -1.86 -2.59 116.57 113.07 1k0s h LYS 140 Ca -0.02 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1k0s h LYS 140 Cb 0.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1k0s h LYS 140 CO 0.03 0.66 -0.14 0.97 -1.08 0.00 0.00 179.45 179.88 1k0s h ILE 141 N 0.00 1.37 -0.23 1.86 -0.00 -1.72 -2.15 117.51 116.63 1k0s h ILE 141 Ca -0.01 -1.35 -0.01 0.00 -0.00 0.00 0.00 64.86 63.49 1k0s h ILE 141 Cb 1.22 1.99 -0.01 0.00 -0.00 0.00 0.00 36.82 40.02 1k0s h ILE 141 CO 0.09 0.39 0.09 -0.29 -0.00 0.00 0.00 178.15 178.42 1k0s h ILE 142 N -0.11 1.17 -1.00 2.19 6.09 -1.49 0.45 117.51 124.81 1k0s h ILE 142 Ca 0.01 -0.52 0.20 0.00 -1.37 0.00 0.00 64.86 63.18 1k0s h ILE 142 Cb 0.69 1.09 -0.10 0.00 0.47 0.00 0.00 36.82 38.96 1k0s h ILE 142 CO 0.03 0.17 0.61 -0.33 -3.07 0.00 0.00 178.15 175.57 1k0s h GLU 143 N 0.22 0.69 0.00 2.19 5.08 -1.48 0.61 114.58 121.88 1k0s h GLU 143 Ca 0.08 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1k0s h GLU 143 Cb 0.19 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1k0s h GLU 143 CO -0.01 0.46 -0.63 0.93 -1.00 0.00 0.00 179.01 178.76 1k0s h GLU 144 N 0.71 0.00 -0.36 2.33 4.39 -0.72 -1.74 114.58 119.19 1k0s h GLU 144 Ca 0.58 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.35 1k0s h GLU 144 Cb 0.97 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.56 1k0s h GLU 144 CO -0.37 0.63 -0.03 0.82 -1.16 0.00 0.00 179.01 178.91 1k0s h ILE 145 N 0.00 0.71 0.09 3.13 2.04 0.49 0.54 117.51 124.51 1k0s h ILE 145 Ca -0.01 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.65 1k0s h ILE 145 Cb 1.38 0.63 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1k0s h ILE 145 CO 0.08 0.01 -0.87 0.71 0.00 0.00 0.00 178.15 178.08 1k0s h THR 146 N 0.07 1.37 -0.23 -0.27 1.35 -1.52 -3.34 112.91 110.34 1k0s h THR 146 Ca 0.17 -2.43 0.05 0.00 -0.55 0.00 0.00 66.41 63.66 1k0s h THR 146 Cb 0.25 3.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1k0s h THR 146 CO -0.32 0.66 0.16 0.58 -0.25 0.00 0.00 175.52 176.35 1k0s h VAL 147 N -0.53 0.92 -0.94 6.82 2.07 -1.21 -3.08 116.25 120.30 1k0s h VAL 147 Ca -0.18 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.53 1k0s h VAL 147 Cb 1.52 0.85 -0.18 0.00 -1.52 0.00 0.00 31.29 31.96 1k0s h VAL 147 CO 0.06 0.01 -0.15 1.17 0.02 0.00 0.00 177.57 178.69 1k0s n LYS 148 N -4.48 -0.08 -1.49 1.57 3.00 0.19 -4.92 118.16 111.94 1k0s n LYS 148 Ca 0.02 1.45 0.02 0.00 -0.00 0.00 0.00 58.31 59.80 1k0s n LYS 148 Cb 0.26 -2.21 -0.01 0.00 0.00 0.00 0.00 35.03 33.07 1k0s n LYS 148 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1k0s n GLU 149 N -5.49 -3.87 0.00 1.64 4.07 -1.08 -5.03 120.64 110.88 1k0s n GLU 149 Ca 0.17 3.02 0.00 0.00 -0.06 0.00 0.00 57.16 60.29 1k0s n GLU 149 Cb 0.56 -3.83 0.00 0.00 -0.06 0.00 0.00 31.44 28.10 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k0s n GLY 150 N -2.78 0.03 0.00 8.31 0.00 -1.21 -4.86 105.19 104.69 1k0s n GLY 150 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70