#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 0.58 0.00 0.03 1.57 -2.10 -3.45 116.57 113.20 1k0s h LYS 2 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k0s h LYS 2 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1k0s h LYS 2 CO 0.00 0.40 0.00 0.25 -0.57 0.00 0.00 179.45 179.53 1k0s n THR 3 N -4.77 0.00 -0.34 -0.16 -2.24 -1.26 -4.50 114.28 101.01 1k0s n THR 3 Ca 0.01 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.04 1k0s n THR 3 Cb 0.04 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.00 3.22 8.10 -2.09 -3.46 115.31 121.51 1k0s h LEU 4 Ca 0.00 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.09 1k0s h LEU 4 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1k0s h LEU 4 CO 0.00 0.04 0.00 0.00 -4.11 0.00 0.00 178.44 174.37 1k0s n ALA 5 N -2.46 0.00 -1.95 0.17 0.00 -1.26 -4.58 120.51 110.41 1k0s n ALA 5 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 1k0s n ALA 5 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 1k0s n ALA 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k0s s ASP 6 N -4.00 6.88 0.33 0.00 1.47 -1.26 -4.96 116.67 115.14 1k0s s ASP 6 Ca 0.00 2.45 -0.29 0.00 1.18 0.00 0.00 52.55 55.89 1k0s s ASP 6 Cb 0.00 -2.62 -0.11 0.00 -0.34 0.00 0.00 42.92 39.85 1k0s s ASP 6 CO 0.00 -0.52 1.54 0.00 0.68 0.00 0.00 175.17 176.87 1k0s s ALA 7 N -0.12 3.66 -1.26 2.11 0.00 -1.26 -2.87 121.76 122.02 1k0s s ALA 7 Ca 0.55 1.57 -0.02 0.00 0.00 0.00 0.00 51.96 54.06 1k0s s ALA 7 Cb -0.37 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.13 1k0s s ALA 7 CO 0.40 -1.02 0.99 1.28 0.00 0.00 0.00 175.76 177.41 1k0s n LEU 8 N 1.32 -3.69 -0.11 0.00 4.77 -1.26 -4.91 117.00 113.11 1k0s n LEU 8 Ca 0.05 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.28 1k0s n LEU 8 Cb 0.38 -3.01 -0.02 0.00 -2.33 0.00 0.00 43.42 38.44 1k0s n LEU 8 CO 0.64 0.44 0.87 0.07 -1.33 0.00 0.00 177.39 178.08 1k0s h LYS 9 N -2.06 0.51 -4.01 3.23 2.10 -1.82 -3.24 116.57 111.28 1k0s h LYS 9 Ca -0.59 -0.11 -0.12 0.00 -2.00 0.00 0.00 60.65 57.83 1k0s h LYS 9 Cb 1.35 -0.07 -0.13 0.00 -0.90 0.00 0.00 32.23 32.47 1k0s h LYS 9 CO 0.53 0.54 -0.42 -1.21 -2.00 0.00 0.00 179.45 176.90 1k0s s GLU 10 N -5.40 1.04 -0.15 0.07 2.02 -1.26 -4.15 118.70 110.86 1k0s s GLU 10 Ca -0.13 -1.20 -0.17 0.00 0.02 0.00 0.00 54.97 53.48 1k0s s GLU 10 Cb 0.09 0.33 0.05 0.00 0.10 0.00 0.00 34.13 34.70 1k0s s GLU 10 CO 0.74 -0.35 0.47 0.12 0.02 0.00 0.00 175.26 176.27 1k0s s PHE 11 N -3.97 -0.50 0.07 1.61 5.36 0.30 -4.72 117.98 116.14 1k0s s PHE 11 Ca 0.16 1.16 -0.20 0.00 -0.96 0.00 0.00 56.93 57.09 1k0s s PHE 11 Cb 0.05 0.19 -0.07 0.00 -0.34 0.00 0.00 43.02 42.85 1k0s s PHE 11 CO -0.02 -0.30 0.59 -1.83 -1.46 0.00 0.00 175.22 172.21 1k0s s GLU 12 N -0.04 4.25 0.24 10.12 -1.05 -1.25 0.40 118.70 131.38 1k0s s GLU 12 Ca -0.02 0.78 -0.15 0.00 -0.15 0.00 0.00 54.97 55.42 1k0s s GLU 12 Cb -0.03 -3.26 0.01 0.00 -0.44 0.00 0.00 34.13 30.41 1k0s s GLU 12 CO 0.02 0.59 0.53 0.54 0.95 0.00 0.00 175.26 177.90 1k0s s VAL 13 N -0.98 0.01 -0.05 1.83 0.11 0.40 -4.27 120.40 117.45 1k0s s VAL 13 Ca 0.30 -1.22 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 1k0s s VAL 13 Cb -0.20 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.55 1k0s s VAL 13 CO 0.19 -0.03 0.60 -0.22 -3.33 0.00 0.00 175.10 172.32 1k0s s LEU 14 N -2.97 4.35 0.02 2.54 1.98 -0.86 0.16 118.68 123.90 1k0s s LEU 14 Ca 0.18 1.09 -0.01 0.00 -2.89 0.00 0.00 54.13 52.50 1k0s s LEU 14 Cb -0.02 -2.92 -0.02 0.00 0.66 0.00 0.00 46.19 43.89 1k0s s LEU 14 CO 0.07 0.01 -0.00 -0.94 -1.89 0.00 0.00 176.35 173.59 1k0s s SER 15 N 0.31 0.21 0.14 3.68 1.04 0.43 -1.07 113.70 118.45 1k0s s SER 15 Ca 0.32 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 1k0s s SER 15 Cb -0.17 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.08 1k0s s SER 15 CO 0.16 -0.32 0.34 0.72 0.98 0.00 0.00 173.24 175.12 1k0s s PHE 16 N -1.53 0.08 0.05 5.02 -0.12 0.17 0.18 117.98 121.81 1k0s s PHE 16 Ca -0.15 -0.44 -0.20 0.00 -0.05 0.00 0.00 56.93 56.09 1k0s s PHE 16 Cb -0.09 0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 42.36 1k0s s PHE 16 CO -0.01 -0.72 0.60 -1.21 -0.05 0.00 0.00 175.22 173.83 1k0s s GLU 17 N -3.88 4.28 -0.31 1.99 2.02 0.28 -0.31 118.70 122.77 1k0s s GLU 17 Ca 0.09 0.77 -0.02 0.00 0.02 0.00 0.00 54.97 55.83 1k0s s GLU 17 Cb 0.02 -3.29 0.10 0.00 0.10 0.00 0.00 34.13 31.07 1k0s s GLU 17 CO -0.06 0.51 0.12 0.42 0.02 0.00 0.00 175.26 176.27 1k0s s ILE 18 N -0.70 0.40 -1.20 -1.63 -1.09 0.22 -4.14 121.20 113.07 1k0s s ILE 18 Ca 0.30 -1.13 -0.33 0.00 -2.23 0.00 0.00 60.65 57.27 1k0s s ILE 18 Cb -0.19 -1.32 0.04 0.00 -1.58 0.00 0.00 42.46 39.40 1k0s s ILE 18 CO 0.19 -0.72 0.70 0.47 -1.23 0.00 0.00 174.94 174.35 1k0s n ASP 19 N 4.98 -4.36 0.00 3.58 9.92 -1.26 -1.25 116.55 128.16 1k0s n ASP 19 Ca -0.03 -1.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.98 1k0s n ASP 19 Cb 0.42 -1.94 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 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 -4.90 0.00 -3.03 -1.24 1.02 -1.26 -4.86 120.64 106.37 1k0s n GLU 20 Ca -0.11 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.74 1k0s n GLU 20 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 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 3.68 0.56 3.49 0.00 -0.38 -4.96 119.66 122.06 1k0s s GLN 21 Ca 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 55.36 55.54 1k0s s GLN 21 Cb 0.00 -2.50 0.01 0.00 0.00 0.00 0.00 33.01 30.53 1k0s s GLN 21 CO 0.00 0.04 0.84 0.00 0.00 0.00 0.00 175.29 176.18 1k0s s ALA 22 N -2.31 3.46 -0.18 2.60 0.00 -0.99 0.72 121.76 125.07 1k0s s ALA 22 Ca 0.47 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1k0s s ALA 22 Cb -0.10 -2.43 0.06 0.00 0.00 0.00 0.00 23.12 20.64 1k0s s ALA 22 CO 0.33 -0.75 0.44 -1.17 0.00 0.00 0.00 175.76 174.61 1k0s s LEU 23 N -4.89 -0.02 -0.03 0.00 2.96 0.58 0.36 118.68 117.64 1k0s s LEU 23 Ca 0.54 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 55.34 1k0s s LEU 23 Cb -0.10 1.46 0.01 0.00 0.50 0.00 0.00 46.19 48.06 1k0s s LEU 23 CO 0.43 -0.18 0.10 0.00 -1.32 0.00 0.00 176.35 175.37 1k0s s ALA 24 N 1.06 -0.24 -0.01 5.97 0.00 0.34 0.42 121.76 129.29 1k0s s ALA 24 Ca -0.07 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1k0s s ALA 24 Cb -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1k0s s ALA 24 CO -0.09 -0.07 -0.22 -0.06 0.00 0.00 0.00 175.76 175.32 1k0s s PHE 25 N -0.13 2.45 -0.61 0.00 0.40 -0.23 0.25 117.98 120.11 1k0s s PHE 25 Ca -0.02 -0.34 -0.36 0.00 -0.60 0.00 0.00 56.93 55.61 1k0s s PHE 25 Cb -0.02 -1.52 -0.16 0.00 0.51 0.00 0.00 43.02 41.83 1k0s s PHE 25 CO 0.00 0.07 2.36 -0.40 0.70 0.00 0.00 175.22 177.95 1k0s n ASP 26 N 2.23 1.17 0.27 1.36 5.75 -0.80 -2.03 116.55 124.49 1k0s n ASP 26 Ca -0.16 0.32 0.10 0.00 -0.01 0.00 0.00 54.79 55.04 1k0s n ASP 26 Cb 0.52 -1.08 0.55 0.00 -1.03 0.00 0.00 41.12 40.07 1k0s n ASP 26 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1k0s h VAL 27 N 7.41 0.00 -0.78 2.12 3.04 -1.86 0.51 116.25 126.69 1k0s h VAL 27 Ca -0.15 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.51 1k0s h VAL 27 Cb 1.34 0.45 -0.04 0.00 -2.01 0.00 0.00 31.29 31.04 1k0s h VAL 27 CO 1.17 0.00 0.34 -0.78 -1.01 0.00 0.00 177.57 177.29 1k0s h ASP 28 N 0.00 1.04 0.09 3.17 1.82 -1.85 -3.11 116.42 117.58 1k0s h ASP 28 Ca 0.00 -0.14 -0.21 0.00 -0.39 0.00 0.00 57.03 56.29 1k0s h ASP 28 Cb 0.80 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 1k0s h ASP 28 CO 0.00 0.90 -1.05 -1.13 -1.61 0.00 0.00 179.24 176.35 1k0s h ASN 29 N 1.12 0.28 -3.01 2.28 -1.24 -0.34 -3.46 115.58 111.21 1k0s h ASN 29 Ca 0.26 -0.85 -0.53 0.00 0.71 0.00 0.00 56.30 55.90 1k0s h ASN 29 Cb 0.16 -0.09 0.05 0.00 0.73 0.00 0.00 38.32 39.17 1k0s h ASN 29 CO -0.03 1.46 0.86 -0.63 -1.29 0.00 0.00 177.43 177.80 1k0s s ILE 30 N -2.41 2.50 -0.14 2.57 -1.09 -0.81 -2.34 121.20 119.49 1k0s s ILE 30 Ca -0.20 0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 58.49 1k0s s ILE 30 Cb 0.03 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1k0s s ILE 30 CO 0.74 0.04 -0.21 -0.62 -1.23 0.00 0.00 174.94 173.66 1k0s n GLU 31 N 3.33 0.42 -3.56 2.79 -0.58 0.32 -4.78 120.64 118.59 1k0s n GLU 31 Ca 0.12 0.38 -0.07 0.00 -0.42 0.00 0.00 57.16 57.17 1k0s n GLU 31 Cb 0.38 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 1k0s n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k0s s MET 32 N -2.31 0.75 0.14 3.49 0.23 -1.12 -5.00 119.30 115.47 1k0s s MET 32 Ca -0.18 -0.31 -0.17 0.00 -1.03 0.00 0.00 55.69 54.00 1k0s s MET 32 Cb 0.02 0.33 -0.07 0.00 -1.53 0.00 0.00 34.83 33.58 1k0s s MET 32 CO 0.26 -0.33 0.59 0.14 -2.03 0.00 0.00 175.02 173.65 1k0s s VAL 33 N -2.98 4.75 0.18 5.16 -7.23 -1.26 0.14 120.40 119.16 1k0s s VAL 33 Ca 0.07 1.06 0.08 0.00 -1.81 0.00 0.00 61.98 61.38 1k0s s VAL 33 Cb -0.01 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 1k0s s VAL 33 CO -0.06 0.35 -0.16 0.27 -0.31 0.00 0.00 175.10 175.18 1k0s s ILE 34 N -1.35 1.70 0.08 -0.62 -4.36 0.15 -4.88 121.20 111.92 1k0s s ILE 34 Ca 0.36 -2.02 -0.20 0.00 -0.26 0.00 0.00 60.65 58.53 1k0s s ILE 34 Cb -0.17 -1.89 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 1k0s s ILE 34 CO 0.20 -0.46 0.59 -1.61 0.24 0.00 0.00 174.94 173.89 1k0s s GLU 35 N -3.17 4.23 -0.01 0.37 0.41 -1.26 -0.52 118.70 118.75 1k0s s GLU 35 Ca 0.18 0.77 -0.21 0.00 -0.41 0.00 0.00 54.97 55.31 1k0s s GLU 35 Cb -0.03 -3.24 -0.05 0.00 -1.78 0.00 0.00 34.13 29.02 1k0s s GLU 35 CO 0.06 0.63 0.60 0.21 -0.49 0.00 0.00 175.26 176.27 1k0s s LYS 36 N -1.10 4.33 -0.29 1.61 2.20 -1.26 -4.89 119.74 120.33 1k0s s LYS 36 Ca 0.30 0.74 -0.16 0.00 -0.36 0.00 0.00 55.97 56.49 1k0s s LYS 36 Cb -0.20 -3.35 0.15 0.00 -1.51 0.00 0.00 37.83 32.92 1k0s s LYS 36 CO 0.20 0.34 0.96 -1.12 -0.36 0.00 0.00 175.35 175.37 1k0s s SER 37 N -0.11 -0.55 -0.39 1.43 0.01 -1.26 -4.98 113.70 107.85 1k0s s SER 37 Ca 0.31 0.85 -0.02 0.00 1.31 0.00 0.00 55.95 58.41 1k0s s SER 37 Cb -0.18 1.32 0.02 0.00 0.21 0.00 0.00 66.02 67.38 1k0s s SER 37 CO 0.17 -0.13 0.04 -0.90 0.41 0.00 0.00 173.24 172.83 1k0s n ASP 38 N 3.99 0.04 -4.73 2.44 5.68 -1.26 -4.80 116.55 117.92 1k0s n ASP 38 Ca -0.17 -0.30 -0.33 0.00 -0.50 0.00 0.00 54.79 53.49 1k0s n ASP 38 Cb 0.57 -0.38 0.10 0.00 -1.14 0.00 0.00 41.12 40.27 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 -2.81 2.59 -0.89 2.12 1.01 -1.26 -4.74 121.20 117.21 1k0s s ILE 39 Ca 0.06 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 1k0s s ILE 39 Cb -0.03 -2.66 -0.26 0.00 0.01 0.00 0.00 42.46 39.52 1k0s s ILE 39 CO 0.24 -0.20 2.11 0.41 0.00 0.00 0.00 174.94 177.50 1k0s n THR 40 N -3.17 0.00 -0.06 2.92 -1.04 -1.19 -4.77 114.28 106.97 1k0s n THR 40 Ca 0.12 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.05 61.82 1k0s n THR 40 Cb 0.51 -0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.83 1k0s n THR 40 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1k0s n PRO 41 N 5.98 0.36 0.08 -2.82 -0.04 -1.26 -4.04 135.00 133.27 1k0s n PRO 41 Ca 0.60 0.36 -0.10 0.00 -0.04 0.00 0.00 63.50 64.32 1k0s n PRO 41 Cb 0.09 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 1k0s n PRO 41 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1k0s h VAL 42 N -0.76 1.49 0.00 0.52 3.04 -1.95 -3.25 116.25 115.34 1k0s h VAL 42 Ca 0.00 -2.65 0.00 0.00 -1.01 0.00 0.00 66.70 63.04 1k0s h VAL 42 Cb 0.51 2.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1k0s h VAL 42 CO 0.00 0.77 0.00 -2.65 -1.01 0.00 0.00 177.57 174.68 1k0s n PRO 43 N -3.65 0.55 -0.95 4.17 -0.02 -1.26 -4.89 135.00 128.95 1k0s n PRO 43 Ca -0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1k0s n PRO 43 Cb 0.83 -1.03 0.07 0.00 -0.02 0.00 0.00 33.50 33.35 1k0s n PRO 43 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1k0s n LYS 44 N -0.42 -0.09 0.00 -0.52 -0.00 -1.23 -4.85 118.16 111.05 1k0s n LYS 44 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1k0s n LYS 44 Cb 0.01 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.69 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 1.51 0.00 -2.32 -5.58 2.88 -1.26 -5.01 113.62 103.84 1k0s n SER 45 Ca 0.02 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.51 1k0s n SER 45 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.00 0.83 0.00 -1.46 5.12 -1.26 -4.90 116.66 114.99 1k0s n ARG 46 Ca 0.00 -0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.49 1k0s n ARG 46 Cb 0.00 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.58 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 2.84 0.00 -0.33 -1.55 8.25 -1.26 -1.20 115.22 121.97 1k0s n HIS 47 Ca 0.18 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.90 1k0s n HIS 47 Cb 0.37 0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.05 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 0.51 -1.46 4.41 3.57 -1.86 -3.42 116.94 118.69 1k0s h PHE 48 Ca 0.00 0.02 -0.73 0.00 3.53 0.00 0.00 57.97 60.79 1k0s h PHE 48 Cb 0.00 -0.14 0.05 0.00 2.79 0.00 0.00 35.95 38.64 1k0s h PHE 48 CO 0.00 0.03 0.42 0.28 -2.23 0.00 0.00 178.31 176.81 1k0s n VAL 49 N -4.54 0.04 -0.01 1.41 0.31 -0.34 -4.87 118.33 110.33 1k0s n VAL 49 Ca 0.26 -0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.41 1k0s n VAL 49 Cb 0.99 -0.65 -0.07 0.00 -0.91 0.00 0.00 33.84 33.20 1k0s n VAL 49 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1k0s h GLU 50 N 4.53 0.77 0.00 5.55 4.11 -1.73 -3.43 114.58 124.37 1k0s h GLU 50 Ca -0.48 -0.66 -0.13 0.00 0.07 0.00 0.00 59.36 58.15 1k0s h GLU 50 Cb 1.36 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 1k0s h GLU 50 CO 0.78 1.26 -0.03 0.41 0.07 0.00 0.00 179.01 181.50 1k0s n GLY 51 N 0.76 2.25 3.72 1.06 0.00 -0.98 -4.81 105.19 107.20 1k0s n GLY 51 Ca -0.08 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.62 0.00 -0.15 1.61 -7.23 -1.26 0.43 120.40 111.18 1k0s s VAL 52 Ca 0.16 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.88 1k0s s VAL 52 Cb -0.01 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.75 1k0s s VAL 52 CO 0.11 0.00 0.62 0.27 -0.31 0.00 0.00 175.10 175.79 1k0s s ILE 53 N -3.69 0.01 -0.04 -0.62 -4.36 -0.63 -3.19 121.20 108.68 1k0s s ILE 53 Ca 0.17 -0.05 -0.21 0.00 -0.26 0.00 0.00 60.65 60.31 1k0s s ILE 53 Cb -0.03 -0.90 -0.05 0.00 1.25 0.00 0.00 42.46 42.73 1k0s s ILE 53 CO 0.09 -0.02 0.60 0.21 0.24 0.00 0.00 174.94 176.06 1k0s s ASN 54 N -0.32 6.93 -0.26 4.36 2.47 -1.26 0.22 114.94 127.08 1k0s s ASN 54 Ca -0.05 1.11 -0.25 0.00 0.42 0.00 0.00 52.86 54.09 1k0s s ASN 54 Cb -0.03 -2.36 0.08 0.00 -1.45 0.00 0.00 41.25 37.48 1k0s s ASN 54 CO 0.04 0.03 0.75 -0.76 -3.72 0.00 0.00 177.10 173.44 1k0s s LEU 55 N 0.20 -0.72 -1.48 3.21 1.43 0.67 -4.93 118.68 117.06 1k0s s LEU 55 Ca 0.32 1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 54.70 1k0s s LEU 55 Cb -0.18 2.42 0.05 0.00 0.03 0.00 0.00 46.19 48.51 1k0s s LEU 55 CO 0.16 -0.26 0.65 0.54 0.23 0.00 0.00 176.35 177.67 1k0s n ARG 56 N 2.53 -3.95 -3.77 1.70 1.74 -1.26 -0.77 116.66 112.88 1k0s n ARG 56 Ca -0.14 0.47 -0.27 0.00 -0.77 0.00 0.00 57.85 57.14 1k0s n ARG 56 Cb 0.55 -4.94 0.05 0.00 -1.02 0.00 0.00 32.46 27.10 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 -1.73 -0.51 3.64 -0.13 0.00 -1.26 -4.97 105.19 100.23 1k0s n GLY 57 Ca -0.16 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.45 0.47 -0.02 1.61 6.06 0.05 -5.16 118.95 115.52 1k0s s ARG 58 Ca 0.60 0.68 -0.21 0.00 -2.50 0.00 0.00 55.73 54.30 1k0s s ARG 58 Cb -0.28 0.17 -0.05 0.00 0.06 0.00 0.00 34.95 34.84 1k0s s ARG 58 CO 0.79 -0.08 0.59 0.42 -2.50 0.00 0.00 175.30 174.52 1k0s s ILE 59 N 0.81 4.95 -0.13 4.11 1.09 -1.26 -0.23 121.20 130.54 1k0s s ILE 59 Ca -0.03 1.24 -0.03 0.00 -1.10 0.00 0.00 60.65 60.73 1k0s s ILE 59 Cb -0.04 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 1k0s s ILE 59 CO -0.11 0.40 -0.04 0.27 -0.10 0.00 0.00 174.94 175.36 1k0s s ILE 60 N -0.04 3.88 -0.20 2.92 -5.25 0.13 -4.87 121.20 117.77 1k0s s ILE 60 Ca 0.31 -0.38 -0.29 0.00 -0.99 0.00 0.00 60.65 59.30 1k0s s ILE 60 Cb -0.18 -2.67 0.00 0.00 2.95 0.00 0.00 42.46 42.57 1k0s s ILE 60 CO 0.17 0.53 1.03 -2.16 -1.79 0.00 0.00 174.94 172.72 1k0s s PRO 61 N -0.00 4.30 -0.11 0.37 0.04 -1.22 -1.60 135.00 136.78 1k0s s PRO 61 Ca 0.01 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 1k0s s PRO 61 Cb -0.13 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 1k0s s PRO 61 CO 0.03 -0.55 0.41 0.14 0.04 0.00 0.00 177.00 177.07 1k0s s VAL 62 N 2.89 5.19 0.09 -0.36 -7.23 0.17 -1.68 120.40 119.47 1k0s s VAL 62 Ca 0.45 0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 61.41 1k0s s VAL 62 Cb -0.16 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 1k0s s VAL 62 CO 0.09 0.40 0.05 -0.69 -0.31 0.00 0.00 175.10 174.64 1k0s s VAL 63 N 0.23 0.16 -0.91 1.32 1.01 0.17 -2.33 120.40 120.05 1k0s s VAL 63 Ca 0.23 -1.75 -0.09 0.00 0.00 0.00 0.00 61.98 60.36 1k0s s VAL 63 Cb -0.15 -1.72 0.23 0.00 0.00 0.00 0.00 36.38 34.75 1k0s s VAL 63 CO 0.09 -0.72 0.85 0.20 0.00 0.00 0.00 175.10 175.53 1k0s s ASN 64 N -2.96 6.69 0.27 3.32 0.02 -1.26 -1.97 114.94 119.05 1k0s s ASN 64 Ca 0.14 -3.16 0.00 0.00 -1.02 0.00 0.00 52.86 48.82 1k0s s ASN 64 Cb 0.07 -2.13 0.55 0.00 0.02 0.00 0.00 41.25 39.76 1k0s s ASN 64 CO -0.05 -0.40 1.79 0.25 0.02 0.00 0.00 177.10 178.71 1k0s h LEU 65 N 7.08 0.72 -2.19 0.60 6.46 -1.86 0.63 115.31 126.74 1k0s h LEU 65 Ca 0.13 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1k0s h LEU 65 Cb 0.94 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1k0s h LEU 65 CO 0.85 0.34 0.26 0.00 -0.62 0.00 0.00 178.44 179.27 1k0s h ALA 66 N 1.55 1.75 0.15 1.25 0.00 -1.90 0.83 119.26 122.88 1k0s h ALA 66 Ca 0.48 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.04 1k0s h ALA 66 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k0s h ALA 66 CO -0.32 -0.36 -1.75 -0.22 0.00 0.00 0.00 179.25 176.60 1k0s h LYS 67 N 0.00 0.32 -0.43 0.00 3.11 -0.04 1.84 116.57 121.37 1k0s h LYS 67 Ca 0.09 -0.55 -0.07 0.00 -2.81 0.00 0.00 60.65 57.32 1k0s h LYS 67 Cb 0.62 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.03 1k0s h LYS 67 CO -0.00 1.22 -0.00 0.97 -2.81 0.00 0.00 179.45 178.82 1k0s h ILE 68 N 0.09 1.23 0.00 2.00 2.10 0.57 -3.02 117.51 120.49 1k0s h ILE 68 Ca -0.34 -0.94 -0.03 0.00 1.08 0.00 0.00 64.86 64.64 1k0s h ILE 68 Cb 2.07 0.90 -0.00 0.00 -1.09 0.00 0.00 36.82 38.69 1k0s h ILE 68 CO 0.15 0.33 -0.19 0.25 -1.08 0.00 0.00 178.15 177.61 1k0s h LEU 69 N 0.66 0.00 0.00 2.19 7.12 0.46 -3.49 115.31 122.25 1k0s h LEU 69 Ca 0.13 -0.57 0.00 0.00 0.13 0.00 0.00 57.88 57.58 1k0s h LEU 69 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1k0s h LEU 69 CO 0.02 0.89 0.00 0.61 -0.13 0.00 0.00 178.44 179.83 1k0s n GLY 70 N 1.64 2.33 2.95 3.75 0.00 0.63 -5.04 105.19 111.44 1k0s n GLY 70 Ca -0.09 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.33 -0.61 -5.35 -1.25 -3.83 119.36 108.00 1k0s n ILE 71 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1k0s n ILE 71 Cb 0.00 -0.05 0.14 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.12 1.07 -0.30 7.28 0.02 -1.90 -3.45 113.55 116.15 1k0s h SER 72 Ca 0.00 -0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 60.70 1k0s h SER 72 Cb 0.12 -0.27 0.03 0.00 0.14 0.00 0.00 62.40 62.42 1k0s h SER 72 CO 0.00 0.80 -0.11 0.33 -1.14 0.00 0.00 176.83 176.71 1k0s n PHE 73 N -4.38 -0.05 -2.69 3.45 7.35 -1.25 -4.91 117.46 114.98 1k0s n PHE 73 Ca 0.11 0.30 -0.04 0.00 -0.76 0.00 0.00 57.45 57.06 1k0s n PHE 73 Cb 0.03 -0.60 0.12 0.00 0.35 0.00 0.00 39.48 39.38 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 0.56 -1.43 -3.89 -2.13 -0.08 -1.26 -4.96 116.55 103.36 1k0s n ASP 74 Ca 0.06 -2.31 -0.32 0.00 -1.51 0.00 0.00 54.79 50.71 1k0s n ASP 74 Cb 0.06 0.73 -0.06 0.00 2.34 0.00 0.00 41.12 44.19 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 -1.15 -1.04 -0.09 -0.67 -0.00 -1.26 -4.80 120.64 111.63 1k0s n GLU 75 Ca -0.11 0.10 -0.20 0.00 -0.00 0.00 0.00 57.16 56.95 1k0s n GLU 75 Cb 0.86 -4.11 -0.12 0.00 -0.00 0.00 0.00 31.44 28.08 1k0s n GLU 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1k0s h GLN 76 N -0.65 0.02 -0.02 3.44 3.07 -1.97 -3.40 115.11 115.60 1k0s h GLN 76 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1k0s h GLN 76 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1k0s h GLN 76 CO 0.67 1.01 -0.12 1.63 0.09 0.00 0.00 178.83 182.11 1k0s n LYS 77 N -4.42 1.41 -1.45 0.06 4.01 -1.26 -5.03 118.16 111.48 1k0s n LYS 77 Ca -0.27 -1.17 -0.48 0.00 -0.51 0.00 0.00 58.31 55.87 1k0s n LYS 77 Cb 0.66 -1.28 -0.03 0.00 -0.51 0.00 0.00 35.03 33.87 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N 0.48 0.28 -1.25 1.97 2.81 -1.26 -4.60 117.12 115.55 1k0s n MET 78 Ca 0.08 0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 56.06 1k0s n MET 78 Cb 0.36 -1.21 0.01 0.00 -0.71 0.00 0.00 33.22 31.67 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 1.00 0.12 -3.62 0.03 2.85 -0.26 -4.87 118.16 113.41 1k0s n LYS 79 Ca 0.16 -0.16 -0.09 0.00 -1.05 0.00 0.00 58.31 57.18 1k0s n LYS 79 Cb 0.25 0.23 -0.06 0.00 -0.65 0.00 0.00 35.03 34.80 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 -0.15 -0.39 0.15 -5.58 0.01 0.17 -4.87 113.70 103.03 1k0s s SER 80 Ca 0.01 0.65 0.08 0.00 1.31 0.00 0.00 55.95 58.00 1k0s s SER 80 Cb 0.04 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 1k0s s SER 80 CO -0.01 -0.21 -0.11 -0.63 0.41 0.00 0.00 173.24 172.69 1k0s s ILE 81 N -0.28 3.19 -0.06 1.44 1.01 0.32 0.77 121.20 127.59 1k0s s ILE 81 Ca 0.02 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.18 1k0s s ILE 81 Cb -0.03 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1k0s s ILE 81 CO -0.04 -0.02 -0.19 -0.63 0.00 0.00 0.00 174.94 174.06 1k0s s ILE 82 N -1.48 1.64 0.08 2.92 1.01 0.20 0.30 121.20 125.87 1k0s s ILE 82 Ca 0.23 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1k0s s ILE 82 Cb -0.10 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1k0s s ILE 82 CO 0.14 0.47 0.14 -0.69 0.00 0.00 0.00 174.94 174.99 1k0s s VAL 83 N 0.15 4.87 0.32 2.92 1.01 0.36 0.04 120.40 130.07 1k0s s VAL 83 Ca -0.08 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1k0s s VAL 83 Cb -0.14 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1k0s s VAL 83 CO 0.04 0.11 0.70 0.00 0.00 0.00 0.00 175.10 175.95 1k0s s ALA 84 N -1.46 -0.77 0.06 5.51 0.00 0.32 -0.52 121.76 124.90 1k0s s ALA 84 Ca 0.32 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1k0s s ALA 84 Cb -0.12 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1k0s s ALA 84 CO 0.24 -0.98 -0.15 -0.98 0.00 0.00 0.00 175.76 173.89 1k0s s ARG 85 N -3.25 0.95 -0.30 0.00 1.70 -0.99 0.45 118.95 117.51 1k0s s ARG 85 Ca 0.16 -0.88 -0.02 0.00 -0.47 0.00 0.00 55.73 54.51 1k0s s ARG 85 Cb -0.05 -1.00 0.19 0.00 -0.57 0.00 0.00 34.95 33.52 1k0s s ARG 85 CO 0.10 0.24 0.66 0.95 -1.08 0.00 0.00 175.30 176.17 1k0s s THR 86 N -1.02 -0.91 -1.46 4.99 -4.23 0.36 -4.80 115.64 108.57 1k0s s THR 86 Ca 0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1k0s s THR 86 Cb -0.09 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.78 1k0s s THR 86 CO 0.02 0.00 0.39 1.17 -0.54 0.00 0.00 174.62 175.66 1k0s n LYS 87 N 5.43 -2.91 -2.45 3.99 3.00 -1.26 -0.16 118.16 123.80 1k0s n LYS 87 Ca -0.01 0.35 -0.09 0.00 -0.00 0.00 0.00 58.31 58.56 1k0s n LYS 87 Cb 0.52 -4.45 0.01 0.00 0.00 0.00 0.00 35.03 31.11 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 -2.94 -3.24 -3.80 3.14 8.00 -1.26 -5.03 116.55 111.43 1k0s n ASP 88 Ca -0.27 -0.08 -0.28 0.00 0.71 0.00 0.00 54.79 54.87 1k0s n ASP 88 Cb 0.67 -2.26 -0.16 0.00 -0.02 0.00 0.00 41.12 39.34 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 -2.68 0.78 -0.80 2.53 1.01 0.77 -5.06 120.40 116.95 1k0s s VAL 89 Ca 0.09 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1k0s s VAL 89 Cb -0.04 -1.14 0.09 0.00 0.00 0.00 0.00 36.38 35.29 1k0s s VAL 89 CO 0.11 -0.07 1.06 -1.61 0.00 0.00 0.00 175.10 174.59 1k0s s GLU 90 N 1.75 3.35 0.31 2.72 2.02 -1.26 0.14 118.70 127.73 1k0s s GLU 90 Ca -0.01 -1.25 -0.10 0.00 0.02 0.00 0.00 54.97 53.63 1k0s s GLU 90 Cb -0.16 -4.59 -0.07 0.00 0.10 0.00 0.00 34.13 29.40 1k0s s GLU 90 CO -0.07 -1.82 0.65 0.08 0.02 0.00 0.00 175.26 174.12 1k0s s VAL 91 N 3.53 4.85 0.01 2.63 1.01 0.17 -3.43 120.40 129.18 1k0s s VAL 91 Ca 0.28 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1k0s s VAL 91 Cb -0.11 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1k0s s VAL 91 CO 0.00 -0.27 -0.11 -0.83 0.00 0.00 0.00 175.10 173.90 1k0s s GLY 92 N -2.72 0.56 -0.06 4.51 0.00 -0.68 0.12 107.32 109.05 1k0s s GLY 92 Ca 0.49 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1k0s s GLY 92 CO 0.25 -0.54 -0.08 -0.12 0.00 0.00 0.00 173.10 172.60 1k0s s PHE 93 N -0.57 1.16 -0.14 1.90 5.36 0.11 0.42 117.98 126.22 1k0s s PHE 93 Ca 0.01 -0.42 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 1k0s s PHE 93 Cb -0.06 -0.92 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 1k0s s PHE 93 CO 0.00 -0.27 0.62 -1.17 -1.46 0.00 0.00 175.22 172.95 1k0s s LEU 94 N 0.89 4.23 0.00 6.12 2.96 -0.83 0.58 118.68 132.63 1k0s s LEU 94 Ca -0.11 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1k0s s LEU 94 Cb -0.15 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 1k0s s LEU 94 CO 0.01 -0.17 0.09 1.33 -1.32 0.00 0.00 176.35 176.29 1k0s n VAL 95 N 4.20 0.00 0.00 1.68 0.24 0.23 -4.76 118.33 119.92 1k0s n VAL 95 Ca -0.02 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 1k0s n VAL 95 Cb 0.51 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.84 0.00 -3.87 -1.34 2.03 -1.26 -0.65 116.55 109.62 1k0s n ASP 96 Ca -0.02 0.15 -0.27 0.00 0.52 0.00 0.00 54.79 55.18 1k0s n ASP 96 Cb 0.33 -0.26 -0.17 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.51 1.28 -0.32 -0.67 6.06 -1.26 -3.38 118.95 120.14 1k0s s ARG 97 Ca 0.00 -0.31 -0.12 0.00 -2.50 0.00 0.00 55.73 52.81 1k0s s ARG 97 Cb 0.00 -1.69 -0.02 0.00 0.06 0.00 0.00 34.95 33.30 1k0s s ARG 97 CO 0.00 -0.36 0.21 0.54 -2.50 0.00 0.00 175.30 173.18 1k0s s VAL 98 N 1.73 5.13 0.42 7.11 0.11 -1.26 -0.56 120.40 133.07 1k0s s VAL 98 Ca 0.03 -0.17 0.16 0.00 -2.93 0.00 0.00 61.98 59.07 1k0s s VAL 98 Cb -0.14 -3.58 0.17 0.00 -1.53 0.00 0.00 36.38 31.30 1k0s s VAL 98 CO -0.08 0.07 1.95 -0.07 -3.33 0.00 0.00 175.10 173.65 1k0s h LEU 99 N 8.43 0.00 0.00 2.54 -0.00 0.15 -3.47 115.31 122.96 1k0s h LEU 99 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1k0s h LEU 99 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1k0s h LEU 99 CO 0.61 0.24 0.00 0.61 -0.00 0.00 0.00 178.44 179.90 1k0s n GLY 100 N -0.78 0.88 3.62 0.83 0.00 -0.32 -4.89 105.19 104.53 1k0s n GLY 100 Ca -0.02 -0.96 -0.48 0.00 0.00 0.00 0.00 46.02 44.56 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 0.45 -4.07 1.61 0.31 -1.25 -0.43 118.33 114.96 1k0s n VAL 101 Ca 0.00 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 64.07 1k0s n VAL 101 Cb 0.00 -1.13 -0.15 0.00 -0.91 0.00 0.00 33.84 31.66 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 0.54 1.92 -1.27 7.52 2.96 0.42 -4.78 118.68 125.98 1k0s s LEU 102 Ca 0.77 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 1k0s s LEU 102 Cb -0.80 -0.20 0.16 0.00 0.50 0.00 0.00 46.19 45.85 1k0s s LEU 102 CO 0.47 0.03 1.79 -2.11 -1.32 0.00 0.00 176.35 175.21 1k0s n ARG 103 N 3.11 3.52 -3.19 1.98 0.00 -1.26 -0.45 116.66 120.38 1k0s n ARG 103 Ca -0.14 -3.55 -0.39 0.00 -0.00 0.00 0.00 57.85 53.77 1k0s n ARG 103 Cb 0.58 -2.98 -0.05 0.00 -0.00 0.00 0.00 32.46 30.00 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1k0s s ILE 104 N 0.86 4.97 0.26 8.89 -1.09 0.16 -4.79 121.20 130.47 1k0s s ILE 104 Ca 0.41 1.25 -0.12 0.00 -2.23 0.00 0.00 60.65 59.96 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 0.37 0.62 0.42 -1.23 0.00 0.00 174.94 175.13 1k0s s THR 105 N 0.12 4.83 -0.58 2.92 -4.23 -1.26 0.11 115.64 117.54 1k0s s THR 105 Ca 0.32 0.68 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 1k0s s THR 105 Cb -0.18 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.21 1k0s s THR 105 CO 0.16 -0.10 0.43 -0.70 -0.54 0.00 0.00 174.62 173.88 1k0s s GLU 106 N -2.83 1.81 0.00 3.99 2.12 -1.22 -4.79 118.70 117.78 1k0s s GLU 106 Ca 0.50 -2.84 0.24 0.00 0.36 0.00 0.00 54.97 53.22 1k0s s GLU 106 Cb -0.11 -2.58 0.44 0.00 0.26 0.00 0.00 34.13 32.14 1k0s s GLU 106 CO 0.20 -1.33 1.40 0.09 -0.54 0.00 0.00 175.26 175.08 1k0s n ASN 107 N 2.32 2.90 -0.06 -1.70 5.03 -1.26 -4.18 115.26 118.31 1k0s n ASN 107 Ca 0.24 -1.92 -0.04 0.00 0.87 0.00 0.00 54.58 53.74 1k0s n ASN 107 Cb 0.40 -0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 39.02 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 4.08 0.00 0.69 3.52 1.08 -1.93 -3.40 115.11 119.15 1k0s h GLN 108 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1k0s h GLN 108 Cb 0.88 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1k0s h GLN 108 CO 0.00 0.12 -0.44 -0.07 -0.95 0.00 0.00 178.83 177.49 1k0s h LEU 109 N -1.00 -1.12 -2.73 1.46 3.38 -1.97 -3.40 115.31 109.92 1k0s h LEU 109 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1k0s h LEU 109 Cb 0.32 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1k0s h LEU 109 CO -0.01 -0.67 -0.40 -0.67 0.09 0.00 0.00 178.44 176.78 1k0s n ASP 110 N -5.20 -5.29 0.00 -0.43 2.03 -1.26 0.08 116.55 106.48 1k0s n ASP 110 Ca -0.13 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1k0s n ASP 110 Cb 0.45 -2.50 0.00 0.00 -0.72 0.00 0.00 41.12 38.34 1k0s n ASP 110 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k0s n LEU 111 N 2.28 0.00 0.00 -2.67 7.99 -1.26 -2.69 117.00 120.65 1k0s n LEU 111 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1k0s n LEU 111 Cb 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1k0s n LEU 111 CO 0.09 0.00 0.00 1.07 -1.51 0.00 0.00 177.39 177.04 1k0s n THR 112 N 0.00 0.00 0.04 -5.08 5.66 -1.18 -5.06 114.28 108.66 1k0s n THR 112 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1k0s n THR 112 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 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 0.00 -0.12 -4.04 1.09 2.35 -0.14 -3.50 115.58 111.22 1k0s h ASN 113 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1k0s h ASN 113 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1k0s h ASN 113 CO 0.00 0.35 -0.62 0.52 -1.65 0.00 0.00 177.43 176.03 1k0s n VAL 114 N -4.93 -9.37 -5.02 2.81 0.31 -1.25 -5.05 118.33 95.83 1k0s n VAL 114 Ca -0.09 2.08 -0.28 0.00 -0.01 0.00 0.00 64.34 66.05 1k0s n VAL 114 Cb 0.26 -4.77 -0.16 0.00 -0.91 0.00 0.00 33.84 28.25 1k0s n VAL 114 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1k0s s SER 115 N -0.37 2.53 0.08 4.52 0.01 -1.26 -5.05 113.70 114.16 1k0s s SER 115 Ca 0.00 -0.41 -0.26 0.00 1.31 0.00 0.00 55.95 56.59 1k0s s SER 115 Cb 0.00 -0.59 -0.16 0.00 0.21 0.00 0.00 66.02 65.47 1k0s s SER 115 CO 0.00 0.21 1.70 0.44 0.41 0.00 0.00 173.24 176.00 1k0s h ASP 116 N 6.03 -0.21 -3.84 2.44 3.32 -1.97 -3.47 116.42 118.72 1k0s h ASP 116 Ca -0.34 -0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.31 1k0s h ASP 116 Cb 1.16 0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.80 1k0s h ASP 116 CO 0.48 -0.14 -0.56 0.29 -1.72 0.00 0.00 179.24 177.58 1k0s n LYS 117 N -5.19 -3.73 0.00 3.56 4.76 -1.24 -3.91 118.16 112.41 1k0s n LYS 117 Ca -0.09 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 1k0s n LYS 117 Cb 0.13 -5.65 0.00 0.00 -1.84 0.00 0.00 35.03 27.67 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 -4.33 -0.11 -2.44 2.13 -0.00 -1.14 -3.97 117.46 107.60 1k0s n PHE 118 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.26 1k0s n PHE 118 Cb 0.64 0.02 0.01 0.00 -0.00 0.00 0.00 39.48 40.15 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 -0.80 0.52 0.00 7.13 0.00 -1.26 -4.73 105.19 106.06 1k0s n GLY 119 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.27 0.00 0.02 1.61 4.81 -1.26 -5.06 118.16 117.00 1k0s n LYS 120 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1k0s n LYS 120 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 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 0.00 1.64 3.00 -1.26 -4.84 118.16 116.70 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 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 34.99 1k0s n LYS 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1k0s n SER 122 N -2.66 0.00 -4.21 3.14 2.88 -1.25 -3.58 113.62 107.94 1k0s n SER 122 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1k0s n SER 122 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1k0s n SER 122 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1k0s n LYS 123 N 0.00 -1.82 -0.83 -1.46 4.81 -1.24 -2.87 118.16 114.76 1k0s n LYS 123 Ca 0.00 0.21 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 1k0s n LYS 123 Cb 0.00 -4.06 -0.10 0.00 0.02 0.00 0.00 35.03 30.89 1k0s n LYS 123 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k0s n GLY 124 N -2.21 0.21 3.46 3.14 0.00 0.27 -4.63 105.19 105.43 1k0s n GLY 124 Ca -0.27 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 44.72 1k0s n GLY 124 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k0s n LEU 125 N 10.69 -0.29 -3.87 0.99 -0.00 -1.26 -0.78 117.00 122.48 1k0s n LEU 125 Ca 0.38 1.14 -0.09 0.00 -0.00 0.00 0.00 56.01 57.45 1k0s n LEU 125 Cb 0.41 -1.03 -0.07 0.00 -0.00 0.00 0.00 43.42 42.73 1k0s n LEU 125 CO 0.92 -2.42 -0.11 0.54 -0.00 0.00 0.00 177.39 176.33 1k0s s VAL 126 N -0.82 0.14 -0.28 1.96 0.11 0.20 -4.75 120.40 116.97 1k0s s VAL 126 Ca 0.67 -1.22 -0.19 0.00 -2.93 0.00 0.00 61.98 58.31 1k0s s VAL 126 Cb -0.92 -1.37 0.08 0.00 -1.53 0.00 0.00 36.38 32.64 1k0s s VAL 126 CO 0.56 -0.65 0.72 -0.75 -3.33 0.00 0.00 175.10 171.65 1k0s s LYS 127 N -3.87 0.74 -0.10 1.54 2.36 -1.26 -1.08 119.74 118.07 1k0s s LYS 127 Ca 0.06 1.12 -0.30 0.00 -2.55 0.00 0.00 55.97 54.30 1k0s s LYS 127 Cb 0.05 0.23 0.08 0.00 -1.05 0.00 0.00 37.83 37.14 1k0s s LYS 127 CO -0.11 -0.13 0.75 0.99 1.55 0.00 0.00 175.35 178.40 1k0s s THR 128 N 1.20 0.00 -1.41 3.43 2.01 -0.81 -4.95 115.64 115.11 1k0s s THR 128 Ca -0.06 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 1k0s s THR 128 Cb -0.05 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.50 1k0s s THR 128 CO -0.13 0.00 1.00 0.47 -0.69 0.00 0.00 174.62 175.27 1k0s n ASP 129 N 1.16 -4.41 -3.35 3.53 8.00 -1.26 -1.26 116.55 118.96 1k0s n ASP 129 Ca -0.17 -0.70 -0.24 0.00 0.71 0.00 0.00 54.79 54.39 1k0s n ASP 129 Cb 0.57 -4.39 0.01 0.00 -0.02 0.00 0.00 41.12 37.29 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 -1.72 -0.50 3.02 0.44 0.00 -1.26 -4.96 105.19 100.22 1k0s n GLY 130 Ca -0.06 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.02 0.76 0.07 1.61 1.70 -0.39 -5.14 118.95 111.55 1k0s s ARG 131 Ca 0.42 -0.33 -0.20 0.00 -0.47 0.00 0.00 55.73 55.15 1k0s s ARG 131 Cb -0.21 -0.74 -0.07 0.00 -0.57 0.00 0.00 34.95 33.37 1k0s s ARG 131 CO 0.51 0.19 0.59 -0.51 -1.08 0.00 0.00 175.30 175.01 1k0s s LEU 132 N -0.19 4.52 -0.10 -1.89 2.01 -1.26 -1.92 118.68 119.85 1k0s s LEU 132 Ca 0.03 1.28 -0.15 0.00 0.01 0.00 0.00 54.13 55.31 1k0s s LEU 132 Cb -0.04 -2.93 0.03 0.00 0.01 0.00 0.00 46.19 43.26 1k0s s LEU 132 CO -0.00 0.25 0.38 -0.63 1.01 0.00 0.00 176.35 177.35 1k0s s ILE 133 N -0.99 0.02 -0.20 -0.59 1.01 -0.24 -2.35 121.20 117.86 1k0s s ILE 133 Ca 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1k0s s ILE 133 Cb -0.20 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1k0s s ILE 133 CO 0.19 -0.08 -0.05 -0.63 0.00 0.00 0.00 174.94 174.37 1k0s s ILE 134 N -0.32 3.40 0.46 2.92 1.01 0.16 0.60 121.20 129.43 1k0s s ILE 134 Ca -0.05 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1k0s s ILE 134 Cb -0.03 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.94 1k0s s ILE 134 CO 0.02 0.44 0.60 -0.47 0.00 0.00 0.00 174.94 175.54 1k0s s TYR 135 N 1.19 2.39 -0.29 3.97 5.04 0.04 0.13 117.35 129.81 1k0s s TYR 135 Ca 0.02 -0.51 -0.16 0.00 -2.44 0.00 0.00 57.07 53.99 1k0s s TYR 135 Cb -0.14 -2.30 0.15 0.00 0.35 0.00 0.00 41.96 40.01 1k0s s TYR 135 CO -0.01 -0.59 0.96 -1.17 -1.34 0.00 0.00 175.55 173.40 1k0s s LEU 136 N -4.41 -0.54 -0.08 6.97 0.20 0.14 0.98 118.68 121.93 1k0s s LEU 136 Ca 0.55 0.84 0.10 0.00 0.69 0.00 0.00 54.13 56.31 1k0s s LEU 136 Cb -0.08 1.76 0.43 0.00 -0.43 0.00 0.00 46.19 47.86 1k0s s LEU 136 CO 0.34 -0.13 1.24 -0.90 -0.29 0.00 0.00 176.35 176.61 1k0s n ASP 137 N 3.98 3.12 -0.89 3.68 5.75 -1.26 -1.91 116.55 129.01 1k0s n ASP 137 Ca -0.17 -2.32 -0.02 0.00 -0.01 0.00 0.00 54.79 52.27 1k0s n ASP 137 Cb 0.57 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k0s n ILE 138 N 0.49 0.00 0.02 2.12 3.06 -1.26 -4.76 119.36 119.02 1k0s n ILE 138 Ca 0.15 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.32 1k0s n ILE 138 Cb 0.62 -0.21 -0.06 0.00 0.54 0.00 0.00 39.64 40.53 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 -0.13 1.13 9.51 3.58 -1.90 -2.62 116.42 125.99 1k0s h ASP 139 Ca -0.04 -0.31 -0.18 0.00 0.42 0.00 0.00 57.03 56.92 1k0s h ASP 139 Cb 0.15 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1k0s h ASP 139 CO 0.06 0.47 -0.87 0.11 -2.88 0.00 0.00 179.24 176.13 1k0s h LYS 140 N -0.97 0.00 -0.17 0.28 1.79 -1.86 -2.53 116.57 113.11 1k0s h LYS 140 Ca -0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1k0s h LYS 140 Cb 0.43 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1k0s h LYS 140 CO 0.03 0.86 -0.09 0.97 -1.08 0.00 0.00 179.45 180.13 1k0s h ILE 141 N 0.00 1.31 -0.23 1.86 -0.00 -1.71 -1.91 117.51 116.82 1k0s h ILE 141 Ca -0.01 -1.15 -0.03 0.00 -0.00 0.00 0.00 64.86 63.67 1k0s h ILE 141 Cb 1.66 1.72 -0.01 0.00 -0.00 0.00 0.00 36.82 40.19 1k0s h ILE 141 CO 0.11 0.34 0.04 -0.29 -0.00 0.00 0.00 178.15 178.35 1k0s h ILE 142 N 0.03 1.22 -1.00 2.19 6.09 -1.54 0.36 117.51 124.86 1k0s h ILE 142 Ca 0.04 -0.74 0.24 0.00 -1.37 0.00 0.00 64.86 63.03 1k0s h ILE 142 Cb 0.57 1.26 -0.12 0.00 0.47 0.00 0.00 36.82 39.00 1k0s h ILE 142 CO 0.03 0.23 0.59 -0.08 -3.07 0.00 0.00 178.15 175.85 1k0s h GLU 143 N 0.19 0.57 0.02 2.19 4.22 -1.42 0.70 114.58 121.05 1k0s h GLU 143 Ca 0.07 -0.03 -0.22 0.00 0.08 0.00 0.00 59.36 59.25 1k0s h GLU 143 Cb 0.31 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1k0s h GLU 143 CO 0.00 0.38 -0.96 0.93 -2.18 0.00 0.00 179.01 177.18 1k0s h GLU 144 N 0.59 0.33 -1.02 1.92 4.39 -0.80 -2.51 114.58 117.48 1k0s h GLU 144 Ca 0.64 -0.38 0.25 0.00 0.34 0.00 0.00 59.36 60.21 1k0s h GLU 144 Cb 1.22 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.87 1k0s h GLU 144 CO -0.48 1.08 0.62 0.82 -1.16 0.00 0.00 179.01 179.89 1k0s h ILE 145 N 0.18 0.55 0.00 3.13 2.04 0.46 0.59 117.51 124.46 1k0s h ILE 145 Ca -0.08 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.43 1k0s h ILE 145 Cb 1.61 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1k0s h ILE 145 CO 0.16 0.10 -0.99 0.71 0.00 0.00 0.00 178.15 178.13 1k0s h THR 146 N 0.55 0.84 -0.13 -0.27 1.35 -1.43 -3.38 112.91 110.44 1k0s h THR 146 Ca 0.62 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1k0s h THR 146 Cb 1.27 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1k0s h THR 146 CO -0.41 0.29 0.00 0.55 -0.25 0.00 0.00 175.52 175.69 1k0s n VAL 147 N -4.49 0.30 -0.30 6.82 3.14 -0.95 -4.22 118.33 118.63 1k0s n VAL 147 Ca -0.25 -0.22 -0.00 0.00 -2.96 0.00 0.00 64.34 60.91 1k0s n VAL 147 Cb 0.58 -0.08 0.13 0.00 -1.06 0.00 0.00 33.84 33.41 1k0s n VAL 147 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1k0s h LYS 148 N 0.82 0.93 -1.69 1.45 1.63 -0.00 -3.45 116.57 116.26 1k0s h LYS 148 Ca 0.00 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1k0s h LYS 148 Cb 0.38 -0.21 -0.25 0.00 -0.60 0.00 0.00 32.23 31.55 1k0s h LYS 148 CO 0.03 0.62 0.38 -2.00 -3.45 0.00 0.00 179.45 175.02 1k0s s GLU 149 N -6.07 0.58 -0.11 1.90 2.56 -1.26 -5.03 118.70 111.26 1k0s s GLU 149 Ca -0.13 0.70 0.02 0.00 0.00 0.00 0.00 54.97 55.56 1k0s s GLU 149 Cb 0.18 0.28 0.07 0.00 2.00 0.00 0.00 34.13 36.66 1k0s s GLU 149 CO 0.79 -0.07 0.76 0.41 -0.56 0.00 0.00 175.26 176.59 1k0s n GLY 150 N 2.38 -0.49 3.79 -1.50 0.00 -1.26 -4.63 105.19 103.48 1k0s n GLY 150 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70