#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5d s VAL 7 N 0.00 2.02 0.28 12.58 -7.23 -1.26 -5.12 120.40 121.67 1o5d s VAL 7 Ca 0.00 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1o5d s VAL 7 Cb 0.00 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1o5d s VAL 7 CO 0.00 -0.30 0.55 0.00 -0.31 0.00 0.00 175.10 175.04 1o5d s ALA 8 N -2.07 3.62 0.69 1.32 0.00 -1.26 -4.73 121.76 119.33 1o5d s ALA 8 Ca 0.19 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1o5d s ALA 8 Cb -0.06 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.76 1o5d s ALA 8 CO 0.08 0.29 1.06 0.00 0.00 0.00 0.00 175.76 177.19 1o5d s ALA 9 N -2.04 2.70 0.25 0.00 0.00 -1.26 -4.61 121.76 116.80 1o5d s ALA 9 Ca 0.44 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1o5d s ALA 9 Cb -0.11 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1o5d s ALA 9 CO 0.29 -1.21 0.23 1.52 0.00 0.00 0.00 175.76 176.59 1o5d s TYR 10 N -3.05 1.27 -1.39 0.00 -0.85 0.07 -4.79 117.35 108.61 1o5d s TYR 10 Ca 0.58 -1.41 -0.01 0.00 -0.52 0.00 0.00 57.07 55.71 1o5d s TYR 10 Cb -0.14 -0.51 0.01 0.00 0.38 0.00 0.00 41.96 41.70 1o5d s TYR 10 CO 0.55 -0.78 0.55 0.09 -1.52 0.00 0.00 175.55 174.44 1o5d n ASN 11 N -0.76 -0.88 -4.70 -0.18 4.13 -1.26 -1.63 115.26 109.97 1o5d n ASN 11 Ca 0.03 -0.93 -0.42 0.00 1.68 0.00 0.00 54.58 54.94 1o5d n ASN 11 Cb 0.64 -3.42 -0.03 0.00 -1.54 0.00 0.00 39.78 35.43 1o5d n ASN 11 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1o5d s LEU 12 N -6.89 4.34 0.14 3.41 1.02 -1.26 -4.20 118.68 115.24 1o5d s LEU 12 Ca 0.06 2.09 0.05 0.00 0.02 0.00 0.00 54.13 56.35 1o5d s LEU 12 Cb -0.03 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.57 1o5d s LEU 12 CO 0.86 -0.61 -0.11 -0.89 0.02 0.00 0.00 176.35 175.62 1o5d s THR 13 N 1.64 1.20 -0.09 5.49 2.01 0.77 -4.47 115.64 122.20 1o5d s THR 13 Ca 0.61 -1.96 0.01 0.00 0.31 0.00 0.00 61.69 60.65 1o5d s THR 13 Cb -0.31 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1o5d s THR 13 CO 0.28 -0.66 -0.09 0.26 -0.69 0.00 0.00 174.62 173.71 1o5d s TRP 14 N -3.01 2.87 -0.21 4.92 0.52 -1.26 -0.77 118.94 122.00 1o5d s TRP 14 Ca 0.14 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.07 1o5d s TRP 14 Cb 0.01 -1.76 0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1o5d s TRP 14 CO 0.01 0.12 -0.11 0.15 0.02 0.00 0.00 176.95 177.14 1o5d s LYS 15 N -0.35 2.16 -0.02 4.98 -0.14 0.19 -4.97 119.74 121.58 1o5d s LYS 15 Ca 0.04 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 1o5d s LYS 15 Cb -0.12 -2.55 0.03 0.00 -1.68 0.00 0.00 37.83 33.51 1o5d s LYS 15 CO 0.02 -0.44 0.02 0.45 -0.76 0.00 0.00 175.35 174.64 1o5d s SER 16 N 1.32 0.21 -0.02 2.83 0.15 -1.26 -0.51 113.70 116.42 1o5d s SER 16 Ca -0.02 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.64 1o5d s SER 16 Cb -0.17 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1o5d s SER 16 CO -0.08 -0.12 0.05 -0.89 1.20 0.00 0.00 173.24 173.40 1o5d s THR 17 N 1.08 -0.04 -1.29 6.45 2.01 -0.88 -1.22 115.64 121.75 1o5d s THR 17 Ca -0.09 0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1o5d s THR 17 Cb -0.13 -0.10 0.13 0.00 0.01 0.00 0.00 72.50 72.41 1o5d s THR 17 CO -0.03 0.06 0.46 0.59 -0.69 0.00 0.00 174.62 175.02 1o5d n ASN 18 N 3.88 -2.34 0.00 3.53 4.13 0.70 -0.61 115.26 124.55 1o5d n ASN 18 Ca -0.23 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1o5d n ASN 18 Cb 0.53 -2.00 0.00 0.00 -1.54 0.00 0.00 39.78 36.77 1o5d n ASN 18 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1o5d n PHE 19 N -3.72 0.00 -2.21 3.10 3.72 -1.26 -1.26 117.46 115.83 1o5d n PHE 19 Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 1o5d n PHE 19 Cb 0.49 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.01 1o5d n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1o5d s LYS 20 N -0.02 3.53 -0.21 -1.08 2.47 0.22 -4.71 119.74 119.94 1o5d s LYS 20 Ca 0.00 1.20 -0.03 0.00 -1.56 0.00 0.00 55.97 55.58 1o5d s LYS 20 Cb 0.00 -4.08 -0.00 0.00 -1.46 0.00 0.00 37.83 32.29 1o5d s LYS 20 CO 0.00 -1.62 -0.09 0.99 0.16 0.00 0.00 175.35 174.80 1o5d s THR 21 N 5.86 3.01 0.02 3.43 2.01 -1.26 -2.06 115.64 126.64 1o5d s THR 21 Ca 0.69 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1o5d s THR 21 Cb -0.18 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1o5d s THR 21 CO 0.32 0.45 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.87 1o5d s ILE 22 N 1.43 1.60 -0.02 1.82 1.01 0.33 -0.56 121.20 126.81 1o5d s ILE 22 Ca 0.06 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1o5d s ILE 22 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1o5d s ILE 22 CO -0.06 0.31 0.13 -0.22 0.00 0.00 0.00 174.94 175.10 1o5d s LEU 23 N -0.84 4.14 0.02 2.97 2.96 -0.64 0.54 118.68 127.82 1o5d s LEU 23 Ca 0.07 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1o5d s LEU 23 Cb -0.08 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1o5d s LEU 23 CO 0.01 0.29 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.68 1o5d s GLU 24 N -1.70 0.34 0.05 1.98 2.02 0.05 -0.84 118.70 120.60 1o5d s GLU 24 Ca 0.23 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 1o5d s GLU 24 Cb -0.12 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.16 1o5d s GLU 24 CO 0.14 -0.03 0.08 -2.67 0.02 0.00 0.00 175.26 172.80 1o5d n TRP 25 N 1.61 -0.75 -4.20 1.61 2.14 -0.29 -0.16 117.44 117.40 1o5d n TRP 25 Ca -0.24 -0.31 -0.12 0.00 2.07 0.00 0.00 57.50 58.91 1o5d n TRP 25 Cb 0.55 0.09 -0.10 0.00 -0.81 0.00 0.00 31.31 31.04 1o5d n TRP 25 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1o5d s GLU 26 N -2.08 1.13 0.91 -2.67 2.02 -0.65 -4.80 118.70 112.56 1o5d s GLU 26 Ca 0.04 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 53.33 1o5d s GLU 26 Cb -0.00 0.16 0.20 0.00 0.10 0.00 0.00 34.13 34.59 1o5d s GLU 26 CO 0.03 -0.32 1.24 -0.35 0.02 0.00 0.00 175.26 175.88 1o5d n PRO 27 N -0.23 -0.94 -2.86 0.39 -0.04 -1.26 -0.75 135.00 129.30 1o5d n PRO 27 Ca -0.01 -2.30 -0.41 0.00 -0.04 0.00 0.00 63.50 60.74 1o5d n PRO 27 Cb 0.65 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.91 1o5d n PRO 27 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1o5d s LYS 28 N -5.69 4.34 0.50 0.54 2.47 -1.26 -4.88 119.74 115.76 1o5d s LYS 28 Ca 0.73 1.09 -0.19 0.00 -1.56 0.00 0.00 55.97 56.04 1o5d s LYS 28 Cb -0.03 -3.55 -0.08 0.00 -1.46 0.00 0.00 37.83 32.71 1o5d s LYS 28 CO 0.51 -0.28 1.03 -1.25 0.16 0.00 0.00 175.35 175.52 1o5d s PRO 29 N 1.97 3.76 -0.34 4.03 0.04 -1.26 -5.00 135.00 138.20 1o5d s PRO 29 Ca 0.41 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1o5d s PRO 29 Cb -0.17 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.38 1o5d s PRO 29 CO 0.14 -0.46 0.05 0.08 0.04 0.00 0.00 177.00 176.86 1o5d s VAL 30 N -2.08 2.13 -1.40 -0.36 1.01 -1.26 -4.72 120.40 113.71 1o5d s VAL 30 Ca 0.66 -2.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1o5d s VAL 30 Cb -0.16 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1o5d s VAL 30 CO 0.22 -0.60 1.08 0.59 0.00 0.00 0.00 175.10 176.40 1o5d n ASN 31 N 4.32 -6.35 -3.86 3.32 4.13 -1.26 -4.96 115.26 110.61 1o5d n ASN 31 Ca 0.03 -0.50 -0.09 0.00 1.68 0.00 0.00 54.58 55.70 1o5d n ASN 31 Cb 0.42 -5.01 -0.06 0.00 -1.54 0.00 0.00 39.78 33.58 1o5d n ASN 31 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o5d s GLN 32 N -6.21 1.06 0.22 3.52 -2.07 -1.26 -0.47 119.66 114.44 1o5d s GLN 32 Ca 0.54 -1.01 0.04 0.00 -1.82 0.00 0.00 55.36 53.11 1o5d s GLN 32 Cb -0.24 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 1o5d s GLN 32 CO 0.67 -0.38 -0.02 0.14 -1.32 0.00 0.00 175.29 174.37 1o5d s VAL 33 N -3.90 1.13 0.11 3.63 -7.23 0.20 -4.72 120.40 109.62 1o5d s VAL 33 Ca 0.10 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1o5d s VAL 33 Cb 0.03 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1o5d s VAL 33 CO -0.06 -0.38 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.92 1o5d s TYR 34 N -3.36 1.23 0.04 2.82 2.02 0.11 -0.81 117.35 119.40 1o5d s TYR 34 Ca 0.27 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1o5d s TYR 34 Cb 0.05 -0.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1o5d s TYR 34 CO 0.08 0.07 -0.08 0.99 -1.57 0.00 0.00 175.55 175.04 1o5d s THR 35 N -2.23 0.60 0.08 -0.71 2.01 -0.95 -0.99 115.64 113.45 1o5d s THR 35 Ca 0.06 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.14 1o5d s THR 35 Cb -0.04 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1o5d s THR 35 CO 0.02 -0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.77 1o5d s VAL 36 N -1.22 2.81 -0.02 3.82 1.01 -0.87 -0.60 120.40 125.33 1o5d s VAL 36 Ca -0.08 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1o5d s VAL 36 Cb -0.09 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1o5d s VAL 36 CO 0.01 0.20 -0.11 -1.10 0.00 0.00 0.00 175.10 174.10 1o5d s GLN 37 N -1.83 1.09 0.09 2.72 -0.21 -0.57 0.01 119.66 120.97 1o5d s GLN 37 Ca 0.16 -0.39 0.07 0.00 0.02 0.00 0.00 55.36 55.22 1o5d s GLN 37 Cb -0.11 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.86 1o5d s GLN 37 CO 0.08 0.18 -0.17 -1.50 -2.12 0.00 0.00 175.29 171.76 1o5d s ILE 38 N 0.02 1.40 0.25 1.08 2.07 -0.27 -1.65 121.20 124.11 1o5d s ILE 38 Ca -0.01 -1.46 -0.06 0.00 -1.41 0.00 0.00 60.65 57.71 1o5d s ILE 38 Cb -0.08 -1.34 0.03 0.00 0.13 0.00 0.00 42.46 41.20 1o5d s ILE 38 CO 0.00 -0.18 0.44 -1.54 -1.91 0.00 0.00 174.94 171.76 1o5d n SER 39 N 1.10 -1.28 -4.38 4.50 3.41 -0.78 -1.59 113.62 114.61 1o5d n SER 39 Ca -0.20 -2.15 -0.23 0.00 -0.26 0.00 0.00 58.87 56.04 1o5d n SER 39 Cb 0.54 2.20 -0.11 0.00 -0.26 0.00 0.00 64.21 66.59 1o5d n SER 39 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1o5d s THR 40 N -2.52 2.02 0.45 6.66 -4.23 -1.26 -2.01 115.64 114.75 1o5d s THR 40 Ca 0.14 -2.08 0.29 0.00 -1.18 0.00 0.00 61.69 58.86 1o5d s THR 40 Cb -0.02 -2.01 0.48 0.00 1.34 0.00 0.00 72.50 72.29 1o5d s THR 40 CO 0.10 -0.34 1.71 0.11 -0.54 0.00 0.00 174.62 175.67 1o5d h LYS 41 N 2.95 0.17 -0.10 3.99 1.79 -1.96 -0.75 116.57 122.66 1o5d h LYS 41 Ca -0.42 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 1o5d h LYS 41 Cb 1.22 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1o5d h LYS 41 CO 0.54 0.11 -0.02 -1.13 -1.08 0.00 0.00 179.45 177.87 1o5d n SER 42 N -4.51 2.87 -4.85 0.86 3.41 -1.26 -5.03 113.62 105.11 1o5d n SER 42 Ca 0.31 -3.12 -0.22 0.00 -0.26 0.00 0.00 58.87 55.58 1o5d n SER 42 Cb 1.23 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1o5d n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1o5d s GLY 43 N -2.55 2.19 0.58 5.00 0.00 -0.29 -5.10 107.32 107.15 1o5d s GLY 43 Ca 0.36 -1.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.10 1o5d s GLY 43 CO 0.05 -1.76 0.93 0.99 0.00 0.00 0.00 173.10 173.31 1o5d s ASP 44 N -4.10 6.01 0.24 1.64 1.01 -1.26 -4.57 116.67 115.64 1o5d s ASP 44 Ca 0.46 1.07 -0.20 0.00 0.71 0.00 0.00 52.55 54.59 1o5d s ASP 44 Cb -0.02 -2.17 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 1o5d s ASP 44 CO 0.26 -0.87 0.75 0.26 0.21 0.00 0.00 175.17 175.78 1o5d s TRP 45 N -3.02 3.64 -0.04 4.23 0.52 -1.26 -4.61 118.94 118.40 1o5d s TRP 45 Ca 0.53 1.42 0.05 0.00 0.02 0.00 0.00 56.10 58.12 1o5d s TRP 45 Cb -0.11 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.56 1o5d s TRP 45 CO 0.49 0.31 -0.19 0.21 0.02 0.00 0.00 176.95 177.79 1o5d s LYS 46 N -2.03 1.92 0.25 4.98 2.20 -0.62 -4.93 119.74 121.51 1o5d s LYS 46 Ca 0.44 -0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 1o5d s LYS 46 Cb -0.17 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 1o5d s LYS 46 CO 0.21 0.30 0.51 -1.12 -0.36 0.00 0.00 175.35 174.89 1o5d s SER 47 N -0.09 6.46 0.28 1.43 0.01 -1.26 -1.11 113.70 119.42 1o5d s SER 47 Ca -0.02 0.66 -0.05 0.00 1.31 0.00 0.00 55.95 57.86 1o5d s SER 47 Cb -0.11 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1o5d s SER 47 CO 0.02 -0.13 0.40 -0.54 0.41 0.00 0.00 173.24 173.39 1o5d s LYS 48 N -3.36 1.64 -0.69 12.44 -0.14 0.10 -4.96 119.74 124.78 1o5d s LYS 48 Ca 0.43 -1.58 -0.12 0.00 -1.36 0.00 0.00 55.97 53.34 1o5d s LYS 48 Cb -0.11 0.41 0.02 0.00 -1.68 0.00 0.00 37.83 36.47 1o5d s LYS 48 CO 0.28 -0.66 0.43 0.00 -0.76 0.00 0.00 175.35 174.65 1o5d s PHE 50 N -3.33 2.75 -0.44 0.00 0.08 -1.26 -3.62 117.98 112.16 1o5d s PHE 50 Ca 0.17 0.91 -0.08 0.00 0.12 0.00 0.00 56.93 58.05 1o5d s PHE 50 Cb -0.09 -4.02 0.01 0.00 -0.57 0.00 0.00 43.02 38.35 1o5d s PHE 50 CO 0.63 -3.31 0.14 0.66 -0.10 0.00 0.00 175.22 173.25 1o5d n TYR 51 N 1.77 -0.44 -2.81 0.36 4.01 -1.11 -4.92 117.16 114.02 1o5d n TYR 51 Ca 0.06 0.08 -0.23 0.00 -0.16 0.00 0.00 57.90 57.66 1o5d n TYR 51 Cb 0.38 -0.92 0.02 0.00 -0.31 0.00 0.00 39.34 38.52 1o5d n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1o5d s THR 52 N -4.13 3.48 -1.00 -0.72 -1.32 -0.17 -4.65 115.64 107.14 1o5d s THR 52 Ca 0.11 -0.52 0.12 0.00 -1.21 0.00 0.00 61.69 60.19 1o5d s THR 52 Cb -0.06 -3.30 -0.04 0.00 -1.51 0.00 0.00 72.50 67.59 1o5d s THR 52 CO 0.33 -0.22 0.67 0.35 -2.21 0.00 0.00 174.62 173.54 1o5d n THR 53 N -2.22 0.00 -1.13 5.08 -2.24 -1.26 -0.71 114.28 111.79 1o5d n THR 53 Ca 0.04 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1o5d n THR 53 Cb 0.58 1.11 0.18 0.00 -2.10 0.00 0.00 70.33 70.10 1o5d n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1o5d s ASP 54 N -1.72 2.64 -0.14 3.42 1.11 -1.26 -4.47 116.67 116.25 1o5d s ASP 54 Ca 0.09 1.26 0.15 0.00 0.18 0.00 0.00 52.55 54.23 1o5d s ASP 54 Cb 0.10 -1.93 0.38 0.00 1.07 0.00 0.00 42.92 42.53 1o5d s ASP 54 CO 0.36 -3.13 1.19 0.35 1.18 0.00 0.00 175.17 175.12 1o5d n THR 55 N -4.18 1.58 -3.78 -1.27 -2.24 -1.26 -4.86 114.28 98.27 1o5d n THR 55 Ca 0.05 -2.45 -0.11 0.00 -2.27 0.00 0.00 64.05 59.27 1o5d n THR 55 Cb 0.57 0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1o5d n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1o5d s GLU 56 N -2.33 0.80 -0.13 -0.78 -1.05 -1.26 -1.13 118.70 112.82 1o5d s GLU 56 Ca 0.34 -0.59 -0.05 0.00 -0.15 0.00 0.00 54.97 54.52 1o5d s GLU 56 Cb 0.34 0.34 0.06 0.00 -0.44 0.00 0.00 34.13 34.43 1o5d s GLU 56 CO -0.07 -0.26 0.26 0.00 0.95 0.00 0.00 175.26 176.14 1o5d s ASP 58 N 2.34 7.19 0.00 0.00 2.15 -1.26 -1.62 116.67 125.47 1o5d s ASP 58 Ca 0.01 1.81 0.02 0.00 0.43 0.00 0.00 52.55 54.82 1o5d s ASP 58 Cb -0.12 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 1o5d s ASP 58 CO -0.08 -0.41 0.64 0.18 -0.17 0.00 0.00 175.17 175.33 1o5d n LEU 59 N 4.22 1.33 -0.17 -1.34 4.77 0.28 -4.85 117.00 121.24 1o5d n LEU 59 Ca 0.08 -1.17 -0.04 0.00 -0.03 0.00 0.00 56.01 54.85 1o5d n LEU 59 Cb 0.48 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1o5d n LEU 59 CO 0.54 0.32 0.36 0.41 -1.33 0.00 0.00 177.39 177.68 1o5d n THR 60 N 0.03 -0.27 -0.31 -5.08 -1.04 -1.09 -1.02 114.28 105.51 1o5d n THR 60 Ca 0.01 1.46 0.24 0.00 -2.04 0.00 0.00 64.05 63.73 1o5d n THR 60 Cb 0.09 -1.86 0.45 0.00 -1.82 0.00 0.00 70.33 67.19 1o5d n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1o5d n ASP 61 N -3.93 0.17 -0.07 8.00 8.00 -1.26 -0.61 116.55 126.85 1o5d n ASP 61 Ca 0.01 1.56 -0.13 0.00 0.71 0.00 0.00 54.79 56.94 1o5d n ASP 61 Cb 0.10 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.41 1o5d n ASP 61 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1o5d h GLU 62 N 0.00 0.00 0.00 -1.24 4.39 -1.46 -3.36 114.58 112.92 1o5d h GLU 62 Ca 0.71 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.39 1o5d h GLU 62 Cb 1.76 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1o5d h GLU 62 CO -0.77 0.84 -0.09 -0.84 -1.16 0.00 0.00 179.01 176.99 1o5d h ILE 63 N -1.00 0.58 -0.01 3.13 -0.00 -0.60 -2.08 117.51 117.53 1o5d h ILE 63 Ca -0.05 -0.38 0.00 0.00 -0.00 0.00 0.00 64.86 64.43 1o5d h ILE 63 Cb 0.89 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.95 1o5d h ILE 63 CO -0.03 0.09 0.00 1.33 -0.00 0.00 0.00 178.15 179.54 1o5d n VAL 64 N -3.74 0.02 -0.03 0.16 0.24 0.22 -3.07 118.33 112.12 1o5d n VAL 64 Ca -0.02 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 1o5d n VAL 64 Cb 0.19 -0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 1o5d n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1o5d h LYS 65 N 0.19 0.02 -2.79 7.34 1.57 -1.53 -3.40 116.57 117.97 1o5d h LYS 65 Ca 0.00 -0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.17 1o5d h LYS 65 Cb 0.04 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.96 1o5d h LYS 65 CO 0.00 0.68 -0.79 0.34 -0.57 0.00 0.00 179.45 179.10 1o5d s ASP 66 N -5.90 3.27 0.58 0.86 -1.08 -1.19 -4.97 116.67 108.23 1o5d s ASP 66 Ca -0.17 -2.51 0.38 0.00 -0.52 0.00 0.00 52.55 49.73 1o5d s ASP 66 Cb 0.00 -0.76 1.93 0.00 -1.46 0.00 0.00 42.92 42.63 1o5d s ASP 66 CO 0.69 -0.27 2.15 -0.37 0.52 0.00 0.00 175.17 177.89 1o5d h VAL 67 N 5.10 0.00 -0.03 1.11 -1.51 -1.75 -1.84 116.25 117.33 1o5d h VAL 67 Ca 0.04 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1o5d h VAL 67 Cb 0.94 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1o5d h VAL 67 CO 0.40 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 177.03 1o5d n LYS 68 N -2.94 1.22 -2.41 5.19 5.02 -1.26 -1.79 118.16 121.19 1o5d n LYS 68 Ca -0.02 -0.33 -0.24 0.00 -2.02 0.00 0.00 58.31 55.70 1o5d n LYS 68 Cb 0.14 -1.40 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 1o5d n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1o5d s GLN 69 N -1.97 1.96 -0.09 1.97 -1.52 -0.69 -4.96 119.66 114.36 1o5d s GLN 69 Ca 0.37 -0.69 0.02 0.00 -1.95 0.00 0.00 55.36 53.11 1o5d s GLN 69 Cb 0.18 -2.27 -0.02 0.00 -0.22 0.00 0.00 33.01 30.68 1o5d s GLN 69 CO 0.29 -1.29 -0.16 0.99 -0.25 0.00 0.00 175.29 174.87 1o5d s THR 70 N -3.15 2.84 0.29 -0.19 2.01 -1.26 -3.98 115.64 112.20 1o5d s THR 70 Ca 0.63 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.96 1o5d s THR 70 Cb -0.08 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 1o5d s THR 70 CO 0.44 0.55 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.57 1o5d s TYR 71 N -0.05 2.58 0.04 4.92 1.51 0.14 -4.10 117.35 122.38 1o5d s TYR 71 Ca -0.04 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1o5d s TYR 71 Cb -0.14 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1o5d s TYR 71 CO 0.04 0.60 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.83 1o5d s LEU 72 N -3.65 2.25 0.09 -1.29 1.98 -0.85 -1.44 118.68 115.76 1o5d s LEU 72 Ca 0.32 -0.55 -0.04 0.00 -2.89 0.00 0.00 54.13 50.98 1o5d s LEU 72 Cb -0.05 -0.21 -0.03 0.00 0.66 0.00 0.00 46.19 46.57 1o5d s LEU 72 CO 0.19 -0.18 0.07 0.00 -1.89 0.00 0.00 176.35 174.54 1o5d s ALA 73 N -1.34 0.37 0.06 5.97 0.00 -1.26 -1.87 121.76 123.69 1o5d s ALA 73 Ca -0.09 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 1o5d s ALA 73 Cb -0.10 0.51 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1o5d s ALA 73 CO 0.01 -0.46 0.16 -0.98 0.00 0.00 0.00 175.76 174.49 1o5d s ARG 74 N -3.94 0.73 -0.10 0.00 1.70 -0.66 -0.29 118.95 116.39 1o5d s ARG 74 Ca 0.11 -0.81 0.03 0.00 -0.47 0.00 0.00 55.73 54.59 1o5d s ARG 74 Cb 0.07 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1o5d s ARG 74 CO -0.07 -0.21 -0.20 0.08 -1.08 0.00 0.00 175.30 173.82 1o5d s VAL 75 N -3.17 1.81 0.06 4.99 1.01 -0.56 -1.50 120.40 123.04 1o5d s VAL 75 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1o5d s VAL 75 Cb 0.02 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1o5d s VAL 75 CO -0.07 0.50 0.17 -0.36 0.00 0.00 0.00 175.10 175.35 1o5d s PHE 76 N 0.56 3.43 -0.15 5.22 0.08 0.23 -2.26 117.98 125.10 1o5d s PHE 76 Ca -0.15 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1o5d s PHE 76 Cb -0.17 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 1o5d s PHE 76 CO 0.05 0.57 -0.19 -1.12 -0.10 0.00 0.00 175.22 174.44 1o5d s SER 77 N -2.46 3.36 -0.03 1.36 0.01 -0.70 -2.24 113.70 113.00 1o5d s SER 77 Ca 0.33 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 57.10 1o5d s SER 77 Cb -0.13 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 1o5d s SER 77 CO 0.26 0.07 -0.20 -0.31 0.41 0.00 0.00 173.24 173.46 1o5d s TYR 78 N 0.90 1.89 0.52 2.43 2.02 0.01 -4.23 117.35 120.88 1o5d s TYR 78 Ca -0.04 -0.42 -0.22 0.00 -0.37 0.00 0.00 57.07 56.01 1o5d s TYR 78 Cb -0.15 -1.23 -0.06 0.00 -0.40 0.00 0.00 41.96 40.12 1o5d s TYR 78 CO -0.03 -0.08 1.34 -0.35 -1.57 0.00 0.00 175.55 174.86 1o5d n PRO 79 N 2.74 1.75 -2.65 -1.71 -0.04 -1.26 -0.63 135.00 133.21 1o5d n PRO 79 Ca -0.16 0.64 -0.41 0.00 -0.04 0.00 0.00 63.50 63.53 1o5d n PRO 79 Cb 0.53 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 1o5d n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o5d s ALA 80 N -1.28 3.32 0.00 0.55 0.00 0.38 -2.47 121.76 122.26 1o5d s ALA 80 Ca 0.69 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1o5d s ALA 80 Cb -0.43 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1o5d s ALA 80 CO 0.51 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1o5d n GLY 81 N 1.87 3.13 2.93 0.00 0.00 -1.26 -4.87 105.19 106.98 1o5d n GLY 81 Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1o5d n GLY 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o5d s ASN 82 N 0.00 4.80 0.00 1.61 2.47 -1.03 -4.87 114.94 117.92 1o5d s ASN 82 Ca 0.00 -3.67 0.05 0.00 0.42 0.00 0.00 52.86 49.66 1o5d s ASN 82 Cb 0.00 -1.66 0.30 0.00 -1.45 0.00 0.00 41.25 38.45 1o5d s ASN 82 CO 0.00 -0.12 1.00 0.52 -3.72 0.00 0.00 177.10 174.78 1o5d n VAL 83 N 2.24 0.00 -0.86 -5.21 0.31 -1.25 -1.63 118.33 111.94 1o5d n VAL 83 Ca 0.17 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.58 1o5d n VAL 83 Cb 0.34 -0.21 0.16 0.00 -0.91 0.00 0.00 33.84 33.22 1o5d n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1o5d n GLU 84 N -0.60 2.05 -2.18 5.55 -0.58 -1.26 -5.00 120.64 118.62 1o5d n GLU 84 Ca 0.04 -2.48 -0.33 0.00 -0.42 0.00 0.00 57.16 53.96 1o5d n GLU 84 Cb 0.02 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1o5d n GLU 84 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1o5d s SER 85 N -2.26 5.84 0.27 1.62 0.15 -0.64 -5.02 113.70 113.66 1o5d s SER 85 Ca 0.30 1.93 -0.08 0.00 0.70 0.00 0.00 55.95 58.80 1o5d s SER 85 Cb 0.25 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 1o5d s SER 85 CO 0.05 -1.13 0.43 0.28 1.20 0.00 0.00 173.24 174.08 1o5d s THR 86 N -2.19 0.00 0.42 6.45 -1.32 -1.26 -4.42 115.64 113.32 1o5d s THR 86 Ca 0.67 -1.54 0.07 0.00 -1.21 0.00 0.00 61.69 59.68 1o5d s THR 86 Cb -0.18 -2.39 -0.06 0.00 -1.51 0.00 0.00 72.50 68.37 1o5d s THR 86 CO 0.31 0.00 0.14 -0.83 -2.21 0.00 0.00 174.62 172.03 1o5d s GLY 87 N -3.10 2.41 0.02 6.08 0.00 0.45 -4.89 107.32 108.30 1o5d s GLY 87 Ca 0.27 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.94 1o5d s GLY 87 CO 0.13 -1.97 0.08 1.44 0.00 0.00 0.00 173.10 172.77 1o5d n SER 88 N -1.19 0.00 -1.79 1.64 7.64 -1.26 0.12 113.62 118.78 1o5d n SER 88 Ca -0.03 0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.85 1o5d n SER 88 Cb 0.65 -0.03 0.27 0.00 -1.01 0.00 0.00 64.21 64.10 1o5d n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o5d n ALA 89 N -2.25 4.49 -1.42 -0.43 0.00 -1.26 -4.94 120.51 114.69 1o5d n ALA 89 Ca 0.02 -2.52 -0.15 0.00 0.00 0.00 0.00 53.44 50.79 1o5d n ALA 89 Cb 0.09 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 1o5d n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5d n GLY 90 N -0.44 1.46 3.38 0.00 0.00 0.32 -4.96 105.19 104.95 1o5d n GLY 90 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 1o5d n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o5d s GLU 91 N -3.26 1.41 0.36 1.61 2.02 -1.24 -4.81 118.70 114.80 1o5d s GLU 91 Ca 0.00 -1.53 -0.27 0.00 0.02 0.00 0.00 54.97 53.20 1o5d s GLU 91 Cb 0.00 -1.49 -0.09 0.00 0.10 0.00 0.00 34.13 32.65 1o5d s GLU 91 CO 0.00 0.30 1.18 -1.25 0.02 0.00 0.00 175.26 175.50 1o5d s PRO 92 N -3.03 4.25 0.32 0.39 0.04 -1.26 -0.41 135.00 135.30 1o5d s PRO 92 Ca 0.20 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1o5d s PRO 92 Cb -0.05 -2.86 -0.11 0.00 0.04 0.00 0.00 34.50 31.52 1o5d s PRO 92 CO 0.09 -0.17 1.43 -1.17 0.04 0.00 0.00 177.00 177.22 1o5d s LEU 93 N -2.13 4.37 0.34 -3.56 2.96 -1.26 -4.91 118.68 114.49 1o5d s LEU 93 Ca 0.53 2.82 -0.07 0.00 -0.22 0.00 0.00 54.13 57.19 1o5d s LEU 93 Cb -0.32 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.73 1o5d s LEU 93 CO 0.42 -0.72 0.56 -0.72 -1.32 0.00 0.00 176.35 174.56 1o5d s TYR 94 N -0.73 0.72 -0.04 5.38 1.13 -1.26 -1.72 117.35 120.83 1o5d s TYR 94 Ca 0.54 -1.09 -0.18 0.00 -1.41 0.00 0.00 57.07 54.94 1o5d s TYR 94 Cb -0.43 0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.66 1o5d s TYR 94 CO 0.53 -1.24 0.39 -2.00 -2.51 0.00 0.00 175.55 170.73 1o5d s GLU 95 N -2.98 0.71 0.24 -3.49 2.56 -0.96 -4.88 118.70 109.91 1o5d s GLU 95 Ca 0.25 0.01 0.05 0.00 0.00 0.00 0.00 54.97 55.29 1o5d s GLU 95 Cb -0.02 0.32 -0.03 0.00 2.00 0.00 0.00 34.13 36.41 1o5d s GLU 95 CO 0.17 -0.19 0.35 -0.80 -0.56 0.00 0.00 175.26 174.23 1o5d s ASN 96 N -1.06 6.28 0.64 -1.70 0.01 -1.26 -1.50 114.94 116.36 1o5d s ASN 96 Ca -0.11 0.05 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1o5d s ASN 96 Cb -0.04 -1.84 0.12 0.00 0.41 0.00 0.00 41.25 39.90 1o5d s ASN 96 CO 0.05 -0.07 0.87 -1.54 -1.51 0.00 0.00 177.10 174.90 1o5d n SER 97 N -1.39 1.66 -4.70 -1.22 3.41 0.60 -4.81 113.62 107.17 1o5d n SER 97 Ca -0.09 -2.29 -0.30 0.00 -0.26 0.00 0.00 58.87 55.93 1o5d n SER 97 Cb 0.57 -0.52 0.14 0.00 -0.26 0.00 0.00 64.21 64.15 1o5d n SER 97 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1o5d s PRO 98 N -4.77 1.18 0.48 4.33 0.02 -1.26 -4.72 135.00 130.26 1o5d s PRO 98 Ca 0.61 0.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 1o5d s PRO 98 Cb -0.04 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.63 1o5d s PRO 98 CO 0.40 -2.34 0.85 -1.21 -0.33 0.00 0.00 177.00 174.37 1o5d s GLU 99 N -4.84 3.73 -0.08 5.54 2.02 -1.26 -4.48 118.70 119.33 1o5d s GLU 99 Ca 0.64 0.55 -0.05 0.00 0.02 0.00 0.00 54.97 56.12 1o5d s GLU 99 Cb -0.19 -2.29 0.03 0.00 0.10 0.00 0.00 34.13 31.78 1o5d s GLU 99 CO 0.58 -0.20 0.20 0.12 0.02 0.00 0.00 175.26 175.97 1o5d s PHE 100 N -2.63 -0.24 -0.44 1.61 5.36 -0.52 -4.92 117.98 116.21 1o5d s PHE 100 Ca 0.52 0.59 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 1o5d s PHE 100 Cb -0.10 0.03 0.12 0.00 -0.34 0.00 0.00 43.02 42.73 1o5d s PHE 100 CO 0.38 -0.15 0.19 0.99 -1.46 0.00 0.00 175.22 175.17 1o5d s THR 101 N 0.67 2.02 0.07 0.12 2.01 -1.26 0.24 115.64 119.51 1o5d s THR 101 Ca -0.05 -2.71 -0.14 0.00 0.31 0.00 0.00 61.69 59.11 1o5d s THR 101 Cb -0.06 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1o5d s THR 101 CO -0.04 -0.77 0.98 -2.65 -0.69 0.00 0.00 174.62 171.46 1o5d n PRO 102 N 3.65 -0.20 -0.41 4.92 -0.02 -1.21 -0.79 135.00 140.94 1o5d n PRO 102 Ca 0.05 0.97 0.33 0.00 -2.02 0.00 0.00 63.50 62.83 1o5d n PRO 102 Cb 0.36 -1.44 0.62 0.00 -0.02 0.00 0.00 33.50 33.03 1o5d n PRO 102 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1o5d h TYR 103 N 0.00 0.49 -0.01 6.00 3.20 -1.66 0.17 116.97 125.15 1o5d h TYR 103 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1o5d h TYR 103 Cb 0.19 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1o5d h TYR 103 CO -0.74 -0.09 -0.39 1.28 -1.64 0.00 0.00 178.16 176.58 1o5d n LEU 104 N -4.58 1.54 0.00 2.82 4.77 0.03 -4.70 117.00 116.87 1o5d n LEU 104 Ca 0.33 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1o5d n LEU 104 Cb 1.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 1o5d n LEU 104 CO 0.25 0.30 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.89 1o5d n GLU 105 N -0.27 3.70 -1.14 3.23 1.02 -0.15 -4.54 120.64 122.49 1o5d n GLU 105 Ca 0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.90 1o5d n GLU 105 Cb 0.34 -0.48 0.12 0.00 -0.02 0.00 0.00 31.44 31.40 1o5d n GLU 105 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1o5d s THR 106 N -0.84 2.90 0.08 2.62 -1.32 0.41 -4.92 115.64 114.58 1o5d s THR 106 Ca 0.00 0.29 -0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1o5d s THR 106 Cb 0.00 -2.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1o5d s THR 106 CO 0.00 -0.38 0.25 0.20 -2.21 0.00 0.00 174.62 172.48 1o5d s ASN 107 N -3.26 6.39 0.39 8.08 0.01 -0.36 -4.90 114.94 121.28 1o5d s ASN 107 Ca 0.63 0.33 0.06 0.00 -0.71 0.00 0.00 52.86 53.17 1o5d s ASN 107 Cb -0.18 -1.99 0.06 0.00 0.41 0.00 0.00 41.25 39.55 1o5d s ASN 107 CO 0.57 0.14 0.49 0.18 -1.51 0.00 0.00 177.10 176.97 1o5d n LEU 108 N 0.20 0.00 0.04 0.60 4.77 -1.26 -0.22 117.00 121.14 1o5d n LEU 108 Ca -0.05 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 1o5d n LEU 108 Cb 0.51 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1o5d n LEU 108 CO 0.51 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1o5d n GLY 109 N 0.30 -0.03 4.94 -0.72 0.00 -1.26 -4.66 105.19 103.75 1o5d n GLY 109 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1o5d n GLY 109 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1o5d n ASP 129 N -3.18 0.00 -4.77 1.61 5.68 -1.26 -4.75 116.55 109.87 1o5d n ASP 129 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.94 1o5d n ASP 129 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1o5d n ASP 129 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1o5d s GLU 130 N 0.00 3.38 0.21 0.11 2.02 -1.26 -4.87 118.70 118.28 1o5d s GLU 130 Ca 0.00 1.60 0.02 0.00 0.02 0.00 0.00 54.97 56.61 1o5d s GLU 130 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1o5d s GLU 130 CO 0.00 -0.83 0.36 -0.98 0.02 0.00 0.00 175.26 173.83 1o5d s ARG 131 N -3.28 3.47 0.53 1.61 1.70 -1.26 -1.35 118.95 120.36 1o5d s ARG 131 Ca 0.73 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 55.46 1o5d s ARG 131 Cb -0.24 -2.88 0.01 0.00 -0.57 0.00 0.00 34.95 31.27 1o5d s ARG 131 CO 0.27 0.43 0.09 0.95 -1.08 0.00 0.00 175.30 175.96 1o5d s THR 132 N -1.90 1.18 -2.00 4.99 -4.23 0.36 -4.76 115.64 109.28 1o5d s THR 132 Ca 0.36 -1.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.08 1o5d s THR 132 Cb -0.10 -2.06 0.29 0.00 1.34 0.00 0.00 72.50 71.96 1o5d s THR 132 CO 0.30 0.00 1.24 0.18 -0.54 0.00 0.00 174.62 175.80 1o5d n LEU 133 N -1.41 1.75 -4.74 4.79 7.99 -0.39 -4.37 117.00 120.62 1o5d n LEU 133 Ca -0.17 -0.87 -0.40 0.00 -0.01 0.00 0.00 56.01 54.56 1o5d n LEU 133 Cb 0.66 -0.22 -0.05 0.00 -0.11 0.00 0.00 43.42 43.71 1o5d n LEU 133 CO 0.37 0.44 0.48 -0.69 -1.51 0.00 0.00 177.39 176.48 1o5d s VAL 134 N -1.56 4.79 0.16 4.08 1.01 -1.26 -4.93 120.40 122.68 1o5d s VAL 134 Ca 0.22 1.66 0.10 0.00 0.00 0.00 0.00 61.98 63.96 1o5d s VAL 134 Cb 0.11 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1o5d s VAL 134 CO 0.15 0.32 -0.20 -0.13 0.00 0.00 0.00 175.10 175.25 1o5d s ARG 135 N 0.19 1.69 0.02 2.72 0.52 -1.26 -0.34 118.95 122.49 1o5d s ARG 135 Ca 0.40 -1.35 -0.05 0.00 -0.52 0.00 0.00 55.73 54.21 1o5d s ARG 135 Cb -0.20 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1o5d s ARG 135 CO 0.23 0.44 0.10 0.50 0.02 0.00 0.00 175.30 176.58 1o5d s ARG 136 N -2.46 0.50 -0.10 3.54 3.52 -0.25 -4.90 118.95 118.79 1o5d s ARG 136 Ca 0.20 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1o5d s ARG 136 Cb -0.09 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 1o5d s ARG 136 CO 0.10 -0.12 0.06 -1.71 -0.81 0.00 0.00 175.30 172.83 1o5d n ASN 137 N 1.19 -0.39 0.00 -2.12 5.15 -1.26 0.38 115.26 118.20 1o5d n ASN 137 Ca -0.21 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 1o5d n ASN 137 Cb 0.57 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1o5d n ASN 137 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1o5d n ASN 138 N 0.55 -3.03 -3.87 1.20 4.13 -1.26 -4.92 115.26 108.06 1o5d n ASN 138 Ca -0.01 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.05 1o5d n ASN 138 Cb 0.05 -2.55 -0.02 0.00 -1.54 0.00 0.00 39.78 35.72 1o5d n ASN 138 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1o5d n THR 139 N -1.51 0.00 -4.20 3.41 5.66 0.16 -5.11 114.28 112.69 1o5d n THR 139 Ca 0.00 -1.54 -0.25 0.00 -3.05 0.00 0.00 64.05 59.21 1o5d n THR 139 Cb 0.25 0.04 -0.07 0.00 -1.55 0.00 0.00 70.33 69.01 1o5d n THR 139 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1o5d s PHE 140 N -2.02 2.87 0.42 1.09 0.08 -1.26 -1.09 117.98 118.08 1o5d s PHE 140 Ca 0.12 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.10 1o5d s PHE 140 Cb -0.01 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1o5d s PHE 140 CO 0.07 0.54 0.39 -0.51 -0.10 0.00 0.00 175.22 175.61 1o5d s LEU 141 N -3.19 3.39 0.27 -0.37 1.43 0.54 -4.81 118.68 115.95 1o5d s LEU 141 Ca 0.29 -0.74 0.12 0.00 -1.03 0.00 0.00 54.13 52.77 1o5d s LEU 141 Cb -0.09 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1o5d s LEU 141 CO 0.20 -0.67 -0.20 -0.94 0.23 0.00 0.00 176.35 174.96 1o5d s SER 142 N -4.15 3.56 0.19 2.29 1.04 -1.26 -0.49 113.70 114.89 1o5d s SER 142 Ca 0.48 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1o5d s SER 142 Cb -0.03 -0.29 0.47 0.00 0.10 0.00 0.00 66.02 66.26 1o5d s SER 142 CO 0.28 0.04 0.95 -0.11 0.98 0.00 0.00 173.24 175.38 1o5d n LEU 143 N -0.57 -0.07 0.12 2.42 7.94 -0.46 0.15 117.00 126.54 1o5d n LEU 143 Ca -0.05 1.03 -0.20 0.00 -1.11 0.00 0.00 56.01 55.68 1o5d n LEU 143 Cb 0.60 -0.38 -0.15 0.00 0.53 0.00 0.00 43.42 44.02 1o5d n LEU 143 CO 0.37 -1.05 -0.15 -0.09 -1.11 0.00 0.00 177.39 175.37 1o5d h ARG 144 N 0.00 0.38 0.00 1.96 9.65 -1.92 0.19 114.38 124.64 1o5d h ARG 144 Ca 0.37 -0.65 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1o5d h ARG 144 Cb 0.77 0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1o5d h ARG 144 CO -0.57 1.31 -0.01 -0.44 2.80 0.00 0.00 179.97 183.06 1o5d h ASP 145 N 0.10 0.00 0.00 -3.80 3.32 0.93 0.50 116.42 117.47 1o5d h ASP 145 Ca -0.19 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.52 1o5d h ASP 145 Cb 2.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.55 1o5d h ASP 145 CO 0.23 0.01 -2.29 0.52 -1.72 0.00 0.00 179.24 175.99 1o5d n VAL 146 N -3.26 1.30 -0.09 -1.35 0.31 -0.21 -4.59 118.33 110.44 1o5d n VAL 146 Ca -0.03 -0.51 0.10 0.00 -0.01 0.00 0.00 64.34 63.90 1o5d n VAL 146 Cb 0.10 -1.28 0.24 0.00 -0.91 0.00 0.00 33.84 32.00 1o5d n VAL 146 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1o5d n PHE 147 N -3.15 0.68 0.00 3.52 3.72 0.64 -4.97 117.46 117.90 1o5d n PHE 147 Ca -0.40 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 1o5d n PHE 147 Cb 0.93 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 1o5d n PHE 147 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o5d n GLY 148 N 1.32 0.00 0.61 1.37 0.00 0.17 0.64 105.19 109.31 1o5d n GLY 148 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1o5d n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o5d n LYS 149 N 0.00 1.32 0.00 1.61 4.76 -1.26 -4.17 118.16 120.42 1o5d n LYS 149 Ca 0.00 -1.51 0.13 0.00 -2.87 0.00 0.00 58.31 54.07 1o5d n LYS 149 Cb 0.00 -1.28 0.50 0.00 -1.84 0.00 0.00 35.03 32.41 1o5d n LYS 149 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1o5d n ASP 150 N 0.78 0.45 -4.51 4.39 9.92 0.21 -4.77 116.55 123.01 1o5d n ASP 150 Ca 0.09 -0.32 -0.35 0.00 -0.53 0.00 0.00 54.79 53.69 1o5d n ASP 150 Cb 0.37 -0.06 -0.12 0.00 -0.64 0.00 0.00 41.12 40.68 1o5d n ASP 150 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1o5d s LEU 151 N -2.71 3.42 0.21 0.64 2.96 -1.08 -3.94 118.68 118.18 1o5d s LEU 151 Ca 0.21 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1o5d s LEU 151 Cb 0.19 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1o5d s LEU 151 CO 0.54 0.12 0.03 0.27 -1.32 0.00 0.00 176.35 175.99 1o5d s ILE 152 N 0.67 0.69 0.44 6.68 -4.36 -0.21 -4.99 121.20 120.13 1o5d s ILE 152 Ca 0.00 -1.99 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1o5d s ILE 152 Cb -0.14 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1o5d s ILE 152 CO 0.02 -0.31 0.06 -0.31 0.24 0.00 0.00 174.94 174.64 1o5d s TYR 153 N -3.65 1.89 0.19 1.37 2.02 -1.26 -0.42 117.35 117.48 1o5d s TYR 153 Ca 0.29 -1.08 0.01 0.00 -0.37 0.00 0.00 57.07 55.92 1o5d s TYR 153 Cb 0.06 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.19 1o5d s TYR 153 CO 0.07 -0.01 0.03 0.99 -1.57 0.00 0.00 175.55 175.07 1o5d s THR 154 N -3.05 0.56 0.00 -0.71 2.01 -0.50 -4.85 115.64 109.09 1o5d s THR 154 Ca 0.19 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.21 1o5d s THR 154 Cb 0.03 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1o5d s THR 154 CO 0.10 -0.35 0.00 -0.11 -0.69 0.00 0.00 174.62 173.57 1o5d n LEU 155 N -0.27 0.34 0.00 4.42 7.94 -1.22 -3.59 117.00 124.61 1o5d n LEU 155 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1o5d n LEU 155 Cb 0.64 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.59 1o5d n LEU 155 CO 0.34 -0.11 0.00 0.00 -1.11 0.00 0.00 177.39 176.51 1o5d n TYR 156 N -2.66 0.00 0.16 1.96 -0.00 -1.26 0.25 117.16 115.61 1o5d n TYR 156 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.92 1o5d n TYR 156 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.65 1o5d n TYR 156 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1o5d n TYR 157 N 0.00 0.00 0.00 2.98 0.53 -1.26 -5.21 117.16 114.20 1o5d n TYR 157 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1o5d n TYR 157 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 1o5d n TYR 157 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1o5d n SER 188 N -0.08 -1.28 -4.87 7.72 2.88 0.70 -4.78 113.62 113.89 1o5d n SER 188 Ca 0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 1o5d n SER 188 Cb 0.09 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 1o5d n SER 188 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1o5d s VAL 189 N -0.64 4.94 0.01 2.46 -7.23 -1.25 -3.41 120.40 115.28 1o5d s VAL 189 Ca 0.00 0.46 -0.09 0.00 -1.81 0.00 0.00 61.98 60.55 1o5d s VAL 189 Cb 0.00 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.33 1o5d s VAL 189 CO 0.00 -0.07 0.17 -1.58 -0.31 0.00 0.00 175.10 173.31 1o5d s GLN 190 N -2.81 0.54 -0.11 4.82 0.74 -1.24 -3.40 119.66 118.21 1o5d s GLN 190 Ca 0.47 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.43 1o5d s GLN 190 Cb -0.11 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1o5d s GLN 190 CO 0.21 -0.14 0.05 0.00 -0.55 0.00 0.00 175.29 174.86 1o5d s ALA 191 N -1.57 3.48 0.02 1.58 0.00 -1.26 -1.41 121.76 122.60 1o5d s ALA 191 Ca -0.13 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1o5d s ALA 191 Cb -0.06 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1o5d s ALA 191 CO 0.01 0.56 -0.06 0.08 0.00 0.00 0.00 175.76 176.35 1o5d s VAL 192 N -0.81 0.40 -0.39 0.00 1.01 0.43 -0.45 120.40 120.60 1o5d s VAL 192 Ca 0.13 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1o5d s VAL 192 Cb -0.12 -0.45 0.13 0.00 0.00 0.00 0.00 36.38 35.94 1o5d s VAL 192 CO 0.03 -0.26 0.19 -0.63 0.00 0.00 0.00 175.10 174.43 1o5d s ILE 193 N -1.00 1.17 -0.25 2.22 1.01 0.97 -1.04 121.20 124.28 1o5d s ILE 193 Ca -0.07 -2.16 0.28 0.00 0.00 0.00 0.00 60.65 58.69 1o5d s ILE 193 Cb -0.07 -1.84 0.30 0.00 0.01 0.00 0.00 42.46 40.86 1o5d s ILE 193 CO 0.00 -0.84 1.82 1.55 0.00 0.00 0.00 174.94 177.47 1o5d h PRO 194 N 7.14 0.00 -0.53 2.79 0.13 -1.80 -2.67 132.00 137.07 1o5d h PRO 194 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1o5d h PRO 194 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1o5d h PRO 194 CO 0.46 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.10 1o5d n SER 195 N -2.57 2.54 -4.89 1.44 3.41 -1.26 -4.88 113.62 107.41 1o5d n SER 195 Ca 0.02 -2.17 -0.22 0.00 -0.26 0.00 0.00 58.87 56.24 1o5d n SER 195 Cb 0.26 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1o5d n SER 195 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1o5d s ARG 196 N -1.64 2.28 -0.12 4.33 0.52 -1.01 -5.02 118.95 118.29 1o5d s ARG 196 Ca 0.26 -0.95 -0.09 0.00 -0.52 0.00 0.00 55.73 54.44 1o5d s ARG 196 Cb 0.16 -2.46 -0.06 0.00 0.52 0.00 0.00 34.95 33.11 1o5d s ARG 196 CO 0.14 -0.92 -0.21 0.25 0.02 0.00 0.00 175.30 174.58 1o5d n THR 197 N -2.46 1.08 -3.84 0.02 -2.24 -1.26 -4.92 114.28 100.66 1o5d n THR 197 Ca 0.10 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1o5d n THR 197 Cb 0.60 -1.84 -0.05 0.00 -2.10 0.00 0.00 70.33 66.94 1o5d n THR 197 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1o5d s VAL 198 N -2.39 2.75 -0.85 2.28 -7.23 -1.26 -4.70 120.40 109.00 1o5d s VAL 198 Ca -0.20 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1o5d s VAL 198 Cb 0.06 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1o5d s VAL 198 CO 0.27 -0.06 0.02 0.59 -0.31 0.00 0.00 175.10 175.62 1o5d n ASN 199 N -1.37 0.38 0.04 4.85 3.02 -1.26 -4.81 115.26 116.10 1o5d n ASN 199 Ca 0.00 -0.71 -0.03 0.00 -0.03 0.00 0.00 54.58 53.81 1o5d n ASN 199 Cb 0.62 -0.89 0.21 0.00 -0.61 0.00 0.00 39.78 39.11 1o5d n ASN 199 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1o5d h ARG 200 N -0.53 0.41 -6.07 3.52 3.08 -1.84 -3.45 114.38 109.51 1o5d h ARG 200 Ca -0.37 -0.17 -0.56 0.00 0.07 0.00 0.00 59.98 58.96 1o5d h ARG 200 Cb 0.78 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.73 1o5d h ARG 200 CO 0.39 0.68 -0.56 0.15 -1.07 0.00 0.00 179.97 179.55 1o5d s LYS 201 N -4.38 2.28 0.00 0.04 1.02 -1.26 -0.02 119.74 117.41 1o5d s LYS 201 Ca -0.06 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.31 1o5d s LYS 201 Cb 0.14 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1o5d s LYS 201 CO 0.79 0.12 0.00 -1.13 -0.92 0.00 0.00 175.35 174.20 1o5d n SER 202 N -1.08 0.00 -0.45 2.83 3.41 0.40 -4.79 113.62 113.94 1o5d n SER 202 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1o5d n SER 202 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1o5d n SER 202 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1o5d n THR 203 N 0.00 0.00 -4.55 6.66 5.66 -1.26 -4.82 114.28 115.97 1o5d n THR 203 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1o5d n THR 203 Cb 0.00 -0.20 -0.05 0.00 -1.55 0.00 0.00 70.33 68.53 1o5d n THR 203 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1o5d s ASP 204 N 0.25 4.28 0.00 1.09 1.11 -1.26 -4.23 116.67 117.91 1o5d s ASP 204 Ca 0.00 -1.59 0.00 0.00 0.18 0.00 0.00 52.55 51.14 1o5d s ASP 204 Cb 0.00 0.61 0.00 0.00 1.07 0.00 0.00 42.92 44.60 1o5d s ASP 204 CO 0.00 -0.97 0.06 -1.54 1.18 0.00 0.00 175.17 173.90