#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wse n LEU 2 N 0.00 0.00 -3.50 4.03 4.77 -1.26 -5.11 117.00 115.93 1wse n LEU 2 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1wse n LEU 2 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1wse n LEU 2 CO 0.00 0.00 0.23 -0.75 -1.33 0.00 0.00 177.39 175.54 1wse s LYS 3 N 0.00 0.58 0.00 3.23 2.20 -1.26 -4.98 119.74 119.51 1wse s LYS 3 Ca 0.00 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1wse s LYS 3 Cb 0.00 0.78 0.00 0.00 -1.51 0.00 0.00 37.83 37.10 1wse s LYS 3 CO 0.00 -0.33 0.18 1.04 -0.36 0.00 0.00 175.35 175.88 1wse n GLN 4 N 5.44 0.00 -1.64 4.03 1.13 -1.26 0.12 117.38 125.20 1wse n GLN 4 Ca -0.09 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1wse n GLN 4 Cb 0.50 -0.68 0.00 0.00 0.11 0.00 0.00 30.24 30.17 1wse n GLN 4 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wse n VAL 5 N -0.29 -5.35 -4.96 5.09 0.31 -1.26 -3.03 118.33 108.84 1wse n VAL 5 Ca 0.00 2.42 -0.27 0.00 -0.01 0.00 0.00 64.34 66.48 1wse n VAL 5 Cb 0.00 -3.29 -0.16 0.00 -0.91 0.00 0.00 33.84 29.48 1wse n VAL 5 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wse s GLU 6 N -3.26 1.65 -0.06 5.55 2.02 0.40 -2.81 118.70 122.18 1wse s GLU 6 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1wse s GLU 6 Cb 0.00 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.68 1wse s GLU 6 CO 0.00 0.41 -0.08 0.42 0.02 0.00 0.00 175.26 176.03 1wse s ILE 7 N -0.41 0.82 -0.10 -1.63 1.01 -0.52 -0.17 121.20 120.20 1wse s ILE 7 Ca 0.06 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1wse s ILE 7 Cb -0.08 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 1wse s ILE 7 CO -0.00 0.29 -0.23 -0.36 0.00 0.00 0.00 174.94 174.64 1wse s PHE 8 N 0.85 2.59 0.12 3.97 0.08 -0.61 0.17 117.98 125.15 1wse s PHE 8 Ca -0.12 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.00 1wse s PHE 8 Cb -0.15 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1wse s PHE 8 CO 0.01 -0.37 -0.09 0.95 -0.10 0.00 0.00 175.22 175.62 1wse s THR 9 N 0.30 0.96 -0.26 0.64 -4.23 -0.80 -0.42 115.64 111.83 1wse s THR 9 Ca -0.17 -1.97 -0.26 0.00 -1.18 0.00 0.00 61.69 58.12 1wse s THR 9 Cb -0.17 -1.74 0.11 0.00 1.34 0.00 0.00 72.50 72.04 1wse s THR 9 CO 0.08 -0.78 0.97 -0.62 -0.54 0.00 0.00 174.62 173.74 1wse s ASP 10 N -3.05 -0.49 0.24 3.99 3.68 0.01 -4.42 116.67 116.63 1wse s ASP 10 Ca 0.14 0.91 0.12 0.00 2.13 0.00 0.00 52.55 55.84 1wse s ASP 10 Cb 0.03 0.90 -0.05 0.00 -1.45 0.00 0.00 42.92 42.36 1wse s ASP 10 CO -0.02 -0.19 -0.21 -0.83 0.13 0.00 0.00 175.17 174.05 1wse s GLY 11 N 0.09 1.81 -0.10 2.66 0.00 -1.26 0.13 107.32 110.64 1wse s GLY 11 Ca 0.02 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 42.73 1wse s GLY 11 CO -0.04 -1.83 0.58 -0.45 0.00 0.00 0.00 173.10 171.37 1wse s SER 12 N -3.15 -0.56 -0.06 1.64 0.15 -0.10 -4.81 113.70 106.82 1wse s SER 12 Ca 0.26 0.76 -0.07 0.00 0.70 0.00 0.00 55.95 57.60 1wse s SER 12 Cb -0.06 0.72 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 1wse s SER 12 CO 0.13 -0.45 0.19 0.00 1.20 0.00 0.00 173.24 174.31 1wse n LEU 14 N 2.69 0.30 0.00 0.00 4.77 0.22 -4.91 117.00 120.08 1wse n LEU 14 Ca -0.14 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1wse n LEU 14 Cb 0.58 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1wse n LEU 14 CO 0.20 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1wse n GLY 15 N 1.45 4.14 2.74 -0.72 0.00 -1.26 -4.93 105.19 106.61 1wse n GLY 15 Ca 0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 1wse n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wse n ASN 16 N 0.00 -3.00 -4.93 1.61 5.15 -1.26 -4.30 115.26 108.53 1wse n ASN 16 Ca 0.00 -2.70 -0.25 0.00 -0.60 0.00 0.00 54.58 51.02 1wse n ASN 16 Cb 0.00 1.60 0.06 0.00 -0.53 0.00 0.00 39.78 40.91 1wse n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wse s PRO 17 N 0.82 2.36 -0.03 1.20 0.04 -1.26 -5.00 135.00 133.12 1wse s PRO 17 Ca 0.29 -0.26 -0.20 0.00 0.04 0.00 0.00 61.00 60.87 1wse s PRO 17 Cb 0.07 -2.22 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1wse s PRO 17 CO -0.10 -1.09 0.91 0.41 0.04 0.00 0.00 177.00 177.17 1wse n GLY 18 N -2.80 0.28 3.70 0.56 0.00 0.16 -4.85 105.19 102.23 1wse n GLY 18 Ca 0.07 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1wse n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wse n PRO 19 N -0.66 2.29 -4.06 1.61 -0.02 -0.98 -0.77 135.00 132.42 1wse n PRO 19 Ca 0.04 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1wse n PRO 19 Cb 0.40 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 1wse n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wse s GLY 20 N 0.31 1.08 0.30 -1.23 0.00 -0.10 -0.61 107.32 107.08 1wse s GLY 20 Ca 0.65 -1.27 -0.20 0.00 0.00 0.00 0.00 44.72 43.91 1wse s GLY 20 CO 0.50 -0.88 0.74 -0.32 0.00 0.00 0.00 173.10 173.14 1wse s GLY 21 N -3.14 0.01 0.08 0.20 0.00 0.64 0.06 107.32 105.17 1wse s GLY 21 Ca 0.28 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.62 1wse s GLY 21 CO 0.15 -0.13 -0.08 -2.52 0.00 0.00 0.00 173.10 170.51 1wse s TYR 22 N -3.57 0.87 0.01 1.90 -0.85 -1.05 -0.92 117.35 113.74 1wse s TYR 22 Ca 0.12 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 55.99 1wse s TYR 22 Cb -0.06 -0.50 -0.01 0.00 0.38 0.00 0.00 41.96 41.77 1wse s TYR 22 CO 0.08 -0.09 -0.10 0.20 -1.52 0.00 0.00 175.55 174.12 1wse s GLY 23 N -2.42 0.53 -0.18 5.49 0.00 0.12 -3.45 107.32 107.42 1wse s GLY 23 Ca 0.03 -0.54 -0.21 0.00 0.00 0.00 0.00 44.72 44.01 1wse s GLY 23 CO -0.02 -0.50 0.57 0.00 0.00 0.00 0.00 173.10 173.15 1wse s ALA 24 N -0.50 -1.41 -0.06 3.20 0.00 -0.62 -0.81 121.76 121.56 1wse s ALA 24 Ca 0.01 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1wse s ALA 24 Cb -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1wse s ALA 24 CO 0.00 -0.28 -0.17 0.42 0.00 0.00 0.00 175.76 175.73 1wse s ILE 25 N 0.02 1.42 -0.22 0.00 1.01 0.44 -0.13 121.20 123.75 1wse s ILE 25 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1wse s ILE 25 Cb -0.04 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1wse s ILE 25 CO 0.02 0.41 -0.10 -0.22 0.00 0.00 0.00 174.94 175.05 1wse s LEU 26 N 0.23 2.76 -0.07 2.97 2.96 0.20 -1.57 118.68 126.17 1wse s LEU 26 Ca -0.08 -0.67 0.05 0.00 -0.22 0.00 0.00 54.13 53.21 1wse s LEU 26 Cb -0.13 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1wse s LEU 26 CO 0.03 -0.05 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.17 1wse s ARG 27 N 1.35 2.69 -0.18 1.98 3.52 0.77 0.97 118.95 130.05 1wse s ARG 27 Ca 0.03 -0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 54.72 1wse s ARG 27 Cb -0.15 -2.23 0.09 0.00 -1.56 0.00 0.00 34.95 31.10 1wse s ARG 27 CO -0.07 0.35 0.25 -0.47 -0.81 0.00 0.00 175.30 174.55 1wse s TYR 28 N -0.08 -0.37 -1.06 5.12 5.04 -0.10 -0.46 117.35 125.44 1wse s TYR 28 Ca -0.06 0.51 -0.20 0.00 -2.44 0.00 0.00 57.07 54.89 1wse s TYR 28 Cb -0.14 -0.23 0.01 0.00 0.35 0.00 0.00 41.96 41.95 1wse s TYR 28 CO 0.04 -0.53 0.70 0.54 -1.34 0.00 0.00 175.55 174.97 1wse n ARG 29 N 5.33 -0.94 0.00 4.97 1.74 -1.26 -1.35 116.66 125.16 1wse n ARG 29 Ca -0.05 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1wse n ARG 29 Cb 0.50 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 1wse n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wse n GLY 30 N -1.83 1.30 3.68 -0.13 0.00 -1.26 -4.95 105.19 101.99 1wse n GLY 30 Ca -0.15 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1wse n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wse n ARG 31 N 0.00 1.73 -3.76 1.61 1.74 -0.46 -5.01 116.66 112.52 1wse n ARG 31 Ca 0.00 0.62 -0.14 0.00 -0.77 0.00 0.00 57.85 57.56 1wse n ARG 31 Cb 0.00 -2.30 -0.15 0.00 -1.02 0.00 0.00 32.46 28.99 1wse n ARG 31 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1wse s GLU 32 N -2.22 0.08 -0.02 5.56 2.12 -1.26 -0.92 118.70 122.03 1wse s GLU 32 Ca 0.63 0.33 0.06 0.00 0.36 0.00 0.00 54.97 56.35 1wse s GLU 32 Cb -0.51 -0.18 -0.03 0.00 0.26 0.00 0.00 34.13 33.68 1wse s GLU 32 CO 0.57 -0.16 -0.18 0.15 -0.54 0.00 0.00 175.26 175.10 1wse s LYS 33 N 1.10 2.30 -0.07 4.30 1.02 0.27 -4.94 119.74 123.73 1wse s LYS 33 Ca -0.09 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.12 1wse s LYS 33 Cb -0.11 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1wse s LYS 33 CO -0.05 0.59 -0.16 0.99 -0.92 0.00 0.00 175.35 175.80 1wse s THR 34 N -0.73 2.88 -0.01 2.17 2.01 -1.26 0.60 115.64 121.29 1wse s THR 34 Ca 0.12 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1wse s THR 34 Cb -0.10 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1wse s THR 34 CO 0.01 0.57 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.96 1wse s PHE 35 N -0.42 1.71 -0.27 4.92 0.08 0.82 -5.01 117.98 119.82 1wse s PHE 35 Ca 0.05 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.51 1wse s PHE 35 Cb -0.12 -1.09 0.12 0.00 -0.57 0.00 0.00 43.02 41.36 1wse s PHE 35 CO 0.02 -0.02 1.02 0.45 -0.10 0.00 0.00 175.22 176.59 1wse s SER 36 N -0.52 -0.45 -0.08 1.36 0.15 -1.26 -1.59 113.70 111.31 1wse s SER 36 Ca 0.07 0.83 -0.31 0.00 0.70 0.00 0.00 55.95 57.25 1wse s SER 36 Cb -0.07 0.83 0.08 0.00 -1.71 0.00 0.00 66.02 65.14 1wse s SER 36 CO -0.00 -0.18 0.73 0.00 1.20 0.00 0.00 173.24 174.99 1wse s ALA 37 N 0.07 -1.80 0.05 5.45 0.00 -1.22 -5.02 121.76 119.29 1wse s ALA 37 Ca 0.02 1.39 0.08 0.00 0.00 0.00 0.00 51.96 53.46 1wse s ALA 37 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1wse s ALA 37 CO -0.05 -0.36 -0.23 0.20 0.00 0.00 0.00 175.76 175.33 1wse s GLY 38 N -1.11 1.23 0.02 0.00 0.00 -1.26 -2.51 107.32 103.68 1wse s GLY 38 Ca -0.09 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.55 1wse s GLY 38 CO 0.08 -1.07 -0.21 -0.19 0.00 0.00 0.00 173.10 171.72 1wse s TYR 39 N -0.84 1.83 0.27 1.90 1.51 0.11 -2.20 117.35 119.94 1wse s TYR 39 Ca 0.09 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1wse s TYR 39 Cb -0.09 -1.12 0.34 0.00 -0.11 0.00 0.00 41.96 40.97 1wse s TYR 39 CO 0.02 0.05 1.88 1.79 -1.11 0.00 0.00 175.55 178.18 1wse h THR 40 N 4.45 1.23 -2.24 -0.71 1.35 -1.49 -0.24 112.91 115.27 1wse h THR 40 Ca -0.41 -0.61 -0.28 0.00 -0.55 0.00 0.00 66.41 64.56 1wse h THR 40 Cb 1.15 0.21 -0.33 0.00 -1.73 0.00 0.00 68.15 67.44 1wse h THR 40 CO 0.45 0.27 -0.59 -0.60 -0.25 0.00 0.00 175.52 174.80 1wse s ARG 41 N -5.69 0.27 0.00 4.72 3.52 -1.26 -2.32 118.95 118.20 1wse s ARG 41 Ca -0.11 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1wse s ARG 41 Cb 0.17 -0.85 0.00 0.00 -1.56 0.00 0.00 34.95 32.71 1wse s ARG 41 CO 0.81 -0.77 0.00 -2.37 -0.81 0.00 0.00 175.30 172.16 1wse n THR 42 N 5.33 0.00 -4.27 4.11 5.66 0.05 -4.38 114.28 120.78 1wse n THR 42 Ca -0.04 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.81 1wse n THR 42 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1wse n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wse s THR 43 N -2.49 0.93 0.10 1.09 -4.23 -1.26 -0.67 115.64 109.11 1wse s THR 43 Ca 0.00 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 1wse s THR 43 Cb 0.00 -2.11 -0.13 0.00 1.34 0.00 0.00 72.50 71.60 1wse s THR 43 CO 0.00 -0.51 1.73 -1.13 -0.54 0.00 0.00 174.62 174.16 1wse h ASN 44 N 2.65 -0.08 -0.71 3.99 -1.24 -1.86 -2.44 115.58 115.89 1wse h ASN 44 Ca -0.37 0.01 0.13 0.00 0.71 0.00 0.00 56.30 56.78 1wse h ASN 44 Cb 1.21 0.04 -0.09 0.00 0.73 0.00 0.00 38.32 40.20 1wse h ASN 44 CO 0.64 -0.04 0.25 0.78 -1.29 0.00 0.00 177.43 177.77 1wse h ASN 45 N -0.05 0.21 -0.43 1.15 -0.26 -1.96 0.31 115.58 114.54 1wse h ASN 45 Ca 0.01 0.11 -0.13 0.00 -0.56 0.00 0.00 56.30 55.74 1wse h ASN 45 Cb 0.06 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 1wse h ASN 45 CO -0.03 0.09 -0.20 0.03 -1.06 0.00 0.00 177.43 176.25 1wse h ARG 46 N 0.40 0.94 -0.50 0.81 3.08 -1.94 -2.55 114.38 114.62 1wse h ARG 46 Ca 0.38 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1wse h ARG 46 Cb 0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1wse h ARG 46 CO -0.39 1.05 0.18 0.52 -1.07 0.00 0.00 179.97 180.25 1wse h MET 47 N 0.82 0.73 -0.65 0.04 2.86 -0.78 0.40 114.93 118.35 1wse h MET 47 Ca 0.11 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1wse h MET 47 Cb 0.76 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1wse h MET 47 CO 0.06 0.62 0.17 0.00 1.06 0.00 0.00 176.91 178.83 1wse h ALA 48 N 1.48 0.85 -0.19 6.32 0.00 -0.74 -2.06 119.26 124.91 1wse h ALA 48 Ca 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wse h ALA 48 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wse h ALA 48 CO -0.01 0.55 -0.03 -0.07 0.00 0.00 0.00 179.25 179.69 1wse h LEU 49 N 0.95 0.36 -0.16 0.00 3.38 -0.97 -3.15 115.31 115.72 1wse h LEU 49 Ca 0.21 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1wse h LEU 49 Cb 0.34 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1wse h LEU 49 CO -0.00 0.63 -0.24 -0.03 0.09 0.00 0.00 178.44 178.89 1wse h MET 50 N 0.09 -0.27 -0.62 1.13 4.05 -0.80 -0.53 114.93 117.97 1wse h MET 50 Ca 0.05 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.61 1wse h MET 50 Cb 0.46 0.06 -0.12 0.00 -0.80 0.00 0.00 31.60 31.20 1wse h MET 50 CO 0.02 -0.18 -0.24 0.00 0.23 0.00 0.00 176.91 176.73 1wse h ALA 51 N 0.69 0.22 -0.76 0.39 0.00 -1.40 0.17 119.26 118.58 1wse h ALA 51 Ca 0.11 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1wse h ALA 51 Cb 0.45 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1wse h ALA 51 CO -0.32 -0.54 0.32 0.00 0.00 0.00 0.00 179.25 178.71 1wse h ALA 52 N 1.35 0.98 -0.49 0.00 0.00 -1.37 -2.81 119.26 116.92 1wse h ALA 52 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1wse h ALA 52 Cb 0.52 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1wse h ALA 52 CO -0.68 0.59 0.11 0.82 0.00 0.00 0.00 179.25 180.09 1wse h ILE 53 N 1.08 1.24 -0.59 0.00 2.04 0.72 -2.08 117.51 119.92 1wse h ILE 53 Ca 0.25 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1wse h ILE 53 Cb 0.19 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1wse h ILE 53 CO -0.02 0.31 0.14 0.58 0.00 0.00 0.00 178.15 179.16 1wse h VAL 54 N 0.68 1.25 -0.11 1.67 2.07 -0.71 -0.36 116.25 120.73 1wse h VAL 54 Ca 0.15 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1wse h VAL 54 Cb 0.35 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1wse h VAL 54 CO 0.00 0.34 -0.05 0.00 0.02 0.00 0.00 177.57 177.88 1wse h ALA 55 N 1.03 0.15 -0.01 1.67 0.00 -1.49 -2.89 119.26 117.72 1wse h ALA 55 Ca 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wse h ALA 55 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wse h ALA 55 CO 0.00 -0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 1wse h LEU 56 N -0.14 0.01 -1.21 0.00 3.38 -1.31 -2.47 115.31 113.57 1wse h LEU 56 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wse h LEU 56 Cb 0.51 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wse h LEU 56 CO 0.02 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 1wse n GLU 57 N -5.04 0.14 0.00 1.13 1.02 -0.15 -1.01 120.64 116.72 1wse n GLU 57 Ca -0.07 0.59 0.15 0.00 -0.02 0.00 0.00 57.16 57.81 1wse n GLU 57 Cb 0.07 -1.91 0.71 0.00 -0.02 0.00 0.00 31.44 30.29 1wse n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wse n ALA 58 N -1.76 2.47 -2.63 0.62 0.00 -0.93 -4.76 120.51 113.51 1wse n ALA 58 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1wse n ALA 58 Cb 0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1wse n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wse s LEU 59 N -2.69 4.07 -0.02 0.00 1.43 -0.18 -4.93 118.68 116.36 1wse s LEU 59 Ca 0.24 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 1wse s LEU 59 Cb 0.20 -3.16 0.29 0.00 0.03 0.00 0.00 46.19 43.55 1wse s LEU 59 CO 0.48 -0.55 1.19 0.29 0.23 0.00 0.00 176.35 177.99 1wse n LYS 60 N 6.08 1.92 -3.50 1.70 4.01 -1.26 -4.89 118.16 122.22 1wse n LYS 60 Ca 0.05 -1.17 -0.10 0.00 -0.51 0.00 0.00 58.31 56.59 1wse n LYS 60 Cb 0.48 -1.37 -0.02 0.00 -0.51 0.00 0.00 35.03 33.61 1wse n LYS 60 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1wse s GLU 61 N -1.62 1.13 0.15 1.97 2.56 -1.26 -5.13 118.70 116.50 1wse s GLU 61 Ca 0.21 -0.45 -0.31 0.00 0.00 0.00 0.00 54.97 54.42 1wse s GLU 61 Cb 0.12 0.50 -0.10 0.00 2.00 0.00 0.00 34.13 36.65 1wse s GLU 61 CO 0.13 -0.50 1.63 -1.01 -0.56 0.00 0.00 175.26 174.94 1wse s HIS 62 N -3.49 2.85 0.44 5.30 3.76 -1.26 -4.98 115.29 117.91 1wse s HIS 62 Ca 0.04 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1wse s HIS 62 Cb -0.01 -3.98 -0.02 0.00 1.11 0.00 0.00 32.58 29.67 1wse s HIS 62 CO -0.09 -3.74 0.10 0.00 -0.85 0.00 0.00 174.74 170.16 1wse n GLU 64 N -1.01 3.66 -1.82 0.00 1.02 0.31 -1.44 120.64 121.37 1wse n GLU 64 Ca -0.09 -4.73 -0.41 0.00 -0.02 0.00 0.00 57.16 51.90 1wse n GLU 64 Cb 0.65 -2.33 -0.01 0.00 -0.02 0.00 0.00 31.44 29.73 1wse n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wse s VAL 65 N -3.64 2.13 -0.46 2.62 1.01 -1.05 -4.46 120.40 116.55 1wse s VAL 65 Ca 0.42 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 1wse s VAL 65 Cb 0.19 -3.08 0.12 0.00 0.00 0.00 0.00 36.38 33.62 1wse s VAL 65 CO -0.06 0.02 0.23 -0.63 0.00 0.00 0.00 175.10 174.66 1wse s ILE 66 N -0.63 3.04 -0.46 2.22 1.01 -1.13 -1.23 121.20 124.03 1wse s ILE 66 Ca 0.57 -2.52 -0.23 0.00 0.00 0.00 0.00 60.65 58.46 1wse s ILE 66 Cb -0.46 -3.09 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1wse s ILE 66 CO 0.56 -0.73 0.80 -0.22 0.00 0.00 0.00 174.94 175.35 1wse s LEU 67 N 0.60 4.24 -0.24 2.97 0.20 -0.63 -1.44 118.68 124.39 1wse s LEU 67 Ca 0.12 -0.12 -0.09 0.00 0.69 0.00 0.00 54.13 54.73 1wse s LEU 67 Cb -0.22 -2.96 -0.04 0.00 -0.43 0.00 0.00 46.19 42.54 1wse s LEU 67 CO -0.04 -0.94 0.11 -0.55 -0.29 0.00 0.00 176.35 174.64 1wse s SER 68 N 2.18 5.66 -0.05 3.68 0.15 0.13 -1.33 113.70 124.11 1wse s SER 68 Ca 0.30 -0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.73 1wse s SER 68 Cb -0.12 -2.02 0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1wse s SER 68 CO 0.23 0.03 0.42 0.28 1.20 0.00 0.00 173.24 175.40 1wse s THR 69 N 1.24 0.03 -1.69 6.45 -1.32 -1.01 -1.90 115.64 117.44 1wse s THR 69 Ca 0.06 -0.28 0.20 0.00 -1.21 0.00 0.00 61.69 60.45 1wse s THR 69 Cb -0.14 -0.71 0.56 0.00 -1.51 0.00 0.00 72.50 70.70 1wse s THR 69 CO 0.05 -0.15 1.47 -0.90 -2.21 0.00 0.00 174.62 172.87 1wse n ASP 70 N 1.46 3.71 -4.65 8.08 3.85 -1.26 -1.54 116.55 126.21 1wse n ASP 70 Ca -0.20 -2.01 -0.43 0.00 -0.71 0.00 0.00 54.79 51.45 1wse n ASP 70 Cb 0.56 -0.43 -0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1wse n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1wse s SER 71 N -1.00 6.68 0.48 -1.12 0.15 -1.26 -4.87 113.70 112.76 1wse s SER 71 Ca 0.43 1.68 0.27 0.00 0.70 0.00 0.00 55.95 59.03 1wse s SER 71 Cb 0.22 -2.54 1.09 0.00 -1.71 0.00 0.00 66.02 63.09 1wse s SER 71 CO 0.29 -1.00 1.89 -0.61 1.20 0.00 0.00 173.24 175.01 1wse h GLN 72 N 9.40 0.00 -0.03 5.44 -0.00 -1.96 -2.88 115.11 125.07 1wse h GLN 72 Ca -0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.31 1wse h GLN 72 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.61 1wse h GLN 72 CO 0.99 0.14 -0.09 -0.92 0.00 0.00 0.00 178.83 178.96 1wse h TYR 73 N 0.00 0.15 -0.71 3.99 3.20 -1.98 -2.03 116.97 119.59 1wse h TYR 73 Ca -0.00 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1wse h TYR 73 Cb 0.65 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1wse h TYR 73 CO 0.00 0.69 0.27 0.28 -1.64 0.00 0.00 178.16 177.76 1wse h VAL 74 N -0.43 1.25 0.50 1.81 2.07 -1.93 -1.17 116.25 118.35 1wse h VAL 74 Ca -0.00 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1wse h VAL 74 Cb 0.69 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1wse h VAL 74 CO 0.02 0.32 -0.24 -0.09 0.02 0.00 0.00 177.57 177.60 1wse h ARG 75 N 1.03 -0.64 0.00 1.57 2.43 -1.56 0.31 114.38 117.51 1wse h ARG 75 Ca 0.24 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1wse h ARG 75 Cb 0.23 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1wse h ARG 75 CO -0.02 -0.43 0.27 0.37 -1.51 0.00 0.00 179.97 178.65 1wse h GLN 76 N -0.74 0.00 0.02 0.20 4.15 -1.38 0.20 115.11 117.56 1wse h GLN 76 Ca -0.07 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.13 1wse h GLN 76 Cb 0.51 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 1wse h GLN 76 CO 0.11 0.00 -1.22 0.78 -1.93 0.00 0.00 178.83 176.58 1wse h GLY 77 N 0.00 0.05 1.74 2.39 0.00 -0.67 -3.01 103.07 103.57 1wse h GLY 77 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1wse h GLY 77 CO 0.00 0.12 -0.46 -2.22 0.00 0.00 0.00 176.54 173.98 1wse h ILE 78 N -0.84 1.33 -0.53 2.60 1.08 0.87 0.25 117.51 122.28 1wse h ILE 78 Ca -0.32 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 1wse h ILE 78 Cb 1.38 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1wse h ILE 78 CO -0.14 0.50 0.00 0.35 -0.69 0.00 0.00 178.15 178.17 1wse n THR 79 N -3.98 1.28 0.00 -0.27 -2.24 0.57 -4.59 114.28 105.05 1wse n THR 79 Ca -0.02 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1wse n THR 79 Cb 0.52 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1wse n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wse n GLN 80 N 0.92 0.00 -0.04 -0.78 6.02 -1.14 -4.98 117.38 117.37 1wse n GLN 80 Ca 0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1wse n GLN 80 Cb 0.62 -0.33 -0.03 0.00 1.02 0.00 0.00 30.24 31.52 1wse n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wse n TRP 81 N -0.57 0.00 -0.27 1.08 8.01 -0.48 -4.76 117.44 120.45 1wse n TRP 81 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1wse n TRP 81 Cb 0.00 -0.36 0.03 0.00 -2.01 0.00 0.00 31.31 28.96 1wse n TRP 81 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.69 178.19 1wse n ILE 82 N -3.75 -0.37 -0.17 -0.99 0.13 0.75 -0.73 119.36 114.23 1wse n ILE 82 Ca -0.17 1.64 -0.01 0.00 -1.10 0.00 0.00 62.75 63.10 1wse n ILE 82 Cb 0.49 -2.16 0.08 0.00 -0.84 0.00 0.00 39.64 37.21 1wse n ILE 82 CO 0.00 0.00 0.00 -0.74 2.80 0.00 0.00 176.55 178.61 1wse h HIS 83 N 0.00 0.11 -0.39 9.51 2.76 -1.83 -2.32 115.15 122.98 1wse h HIS 83 Ca 0.24 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1wse h HIS 83 Cb 0.42 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1wse h HIS 83 CO -0.61 -0.05 -0.09 -0.91 -1.30 0.00 0.00 177.93 174.97 1wse h ASN 84 N 0.20 0.75 -0.81 3.26 2.35 -1.23 -3.15 115.58 116.97 1wse h ASN 84 Ca 0.28 -0.36 0.13 0.00 -0.55 0.00 0.00 56.30 55.80 1wse h ASN 84 Cb 0.40 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 38.48 1wse h ASN 84 CO -0.39 0.94 0.39 -0.50 -1.65 0.00 0.00 177.43 176.22 1wse h TRP 85 N 0.56 0.69 0.00 1.19 6.55 -0.89 0.97 115.95 125.02 1wse h TRP 85 Ca 0.10 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.93 1wse h TRP 85 Cb 0.60 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1wse h TRP 85 CO 0.05 0.17 -0.20 0.87 -1.05 0.00 0.00 178.44 178.28 1wse h LYS 86 N 0.59 0.00 0.06 0.49 1.57 -1.43 0.69 116.57 118.53 1wse h LYS 86 Ca 0.43 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.98 1wse h LYS 86 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1wse h LYS 86 CO -0.35 0.20 -1.08 0.00 -0.57 0.00 0.00 179.45 177.65 1wse h ALA 87 N 1.80 0.28 -0.62 3.86 0.00 -0.83 -3.28 119.26 120.47 1wse h ALA 87 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1wse h ALA 87 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wse h ALA 87 CO 0.03 1.02 0.00 0.54 0.00 0.00 0.00 179.25 180.84 1wse n ARG 88 N -3.53 2.66 -2.88 0.00 1.74 -0.60 -4.96 116.66 109.09 1wse n ARG 88 Ca -0.05 -2.55 -0.10 0.00 -0.77 0.00 0.00 57.85 54.38 1wse n ARG 88 Cb 0.94 -1.56 0.04 0.00 -1.02 0.00 0.00 32.46 30.86 1wse n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wse n GLY 89 N 1.63 0.25 3.46 -0.13 0.00 -0.46 -3.84 105.19 106.10 1wse n GLY 89 Ca 0.23 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1wse n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wse n TRP 90 N -3.26 -2.18 -3.89 1.61 7.02 0.23 -5.01 117.44 111.95 1wse n TRP 90 Ca -0.03 0.85 -0.11 0.00 -1.02 0.00 0.00 57.50 57.19 1wse n TRP 90 Cb 0.54 -4.50 -0.11 0.00 -2.42 0.00 0.00 31.31 24.81 1wse n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wse s LYS 91 N -5.27 0.30 1.07 -0.99 -0.14 -1.25 -3.88 119.74 109.57 1wse s LYS 91 Ca 0.18 -0.28 -0.14 0.00 -1.36 0.00 0.00 55.97 54.37 1wse s LYS 91 Cb -0.03 0.12 0.22 0.00 -1.68 0.00 0.00 37.83 36.46 1wse s LYS 91 CO 0.76 -0.06 1.08 0.95 -0.76 0.00 0.00 175.35 177.33 1wse s THR 92 N -0.92 1.93 -0.40 2.17 -4.23 0.40 -4.80 115.64 109.79 1wse s THR 92 Ca -0.10 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.57 1wse s THR 92 Cb -0.06 -2.44 0.16 0.00 1.34 0.00 0.00 72.50 71.51 1wse s THR 92 CO 0.00 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.58 1wse n ALA 93 N -4.40 1.03 -1.04 3.99 0.00 -1.26 -0.94 120.51 117.90 1wse n ALA 93 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 1wse n ALA 93 Cb 0.57 -1.24 0.32 0.00 0.00 0.00 0.00 19.45 19.10 1wse n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wse n ASP 94 N -2.07 4.79 -2.37 0.00 8.00 -1.26 -4.90 116.55 118.74 1wse n ASP 94 Ca -0.01 -3.17 -0.20 0.00 0.71 0.00 0.00 54.79 52.11 1wse n ASP 94 Cb 0.03 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.41 1wse n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wse n LYS 95 N -0.09 -1.71 -4.56 -1.24 4.76 -0.11 -4.97 118.16 110.23 1wse n LYS 95 Ca 0.35 1.00 -0.34 0.00 -2.87 0.00 0.00 58.31 56.45 1wse n LYS 95 Cb 1.27 -5.65 -0.11 0.00 -1.84 0.00 0.00 35.03 28.69 1wse n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wse s LYS 96 N -5.00 3.01 0.29 1.97 1.02 -1.25 -4.81 119.74 114.98 1wse s LYS 96 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.17 1wse s LYS 96 Cb 0.00 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.49 1wse s LYS 96 CO 0.00 0.56 1.10 -2.30 -0.92 0.00 0.00 175.35 173.78 1wse n PRO 97 N 2.56 1.55 -2.35 -1.68 -0.02 -1.26 0.15 135.00 133.95 1wse n PRO 97 Ca -0.18 0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 1wse n PRO 97 Cb 0.53 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1wse n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wse s VAL 98 N -0.98 4.52 0.17 -1.45 -7.23 -1.25 -4.67 120.40 109.50 1wse s VAL 98 Ca 0.59 1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 61.64 1wse s VAL 98 Cb -0.68 -3.72 -0.07 0.00 0.56 0.00 0.00 36.38 32.47 1wse s VAL 98 CO 0.60 -0.71 1.03 -0.75 -0.31 0.00 0.00 175.10 174.96 1wse s LYS 99 N -4.14 4.67 -1.22 4.82 2.20 -1.26 -3.29 119.74 121.51 1wse s LYS 99 Ca 0.59 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1wse s LYS 99 Cb -0.10 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1wse s LYS 99 CO 0.33 0.19 0.00 0.09 -0.36 0.00 0.00 175.35 175.60 1wse n ASN 100 N 2.30 -4.27 -0.23 1.43 3.02 -1.26 -4.89 115.26 111.37 1wse n ASN 100 Ca 0.02 0.15 0.18 0.00 -0.03 0.00 0.00 54.58 54.89 1wse n ASN 100 Cb 0.47 -3.20 0.51 0.00 -0.61 0.00 0.00 39.78 36.95 1wse n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wse h VAL 101 N 0.00 0.71 -0.59 2.41 3.04 -1.97 -0.70 116.25 119.15 1wse h VAL 101 Ca -0.28 -0.14 0.03 0.00 -1.01 0.00 0.00 66.70 65.29 1wse h VAL 101 Cb 1.04 0.26 -0.04 0.00 -2.01 0.00 0.00 31.29 30.54 1wse h VAL 101 CO 0.37 0.08 0.36 -2.24 -1.01 0.00 0.00 177.57 175.13 1wse h ASP 102 N 0.42 0.57 0.77 3.17 2.03 -1.90 -1.25 116.42 120.24 1wse h ASP 102 Ca 0.45 0.01 -0.25 0.00 -0.73 0.00 0.00 57.03 56.50 1wse h ASP 102 Cb 1.08 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.44 1wse h ASP 102 CO -0.16 0.40 -1.25 -0.07 -1.03 0.00 0.00 179.24 177.12 1wse h LEU 103 N 0.70 0.10 -0.58 0.15 3.38 -1.57 -2.92 115.31 114.56 1wse h LEU 103 Ca 0.24 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1wse h LEU 103 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1wse h LEU 103 CO -0.11 1.11 -0.00 -0.50 0.09 0.00 0.00 178.44 179.02 1wse h TRP 104 N 0.02 1.12 -0.31 1.13 4.06 -1.05 0.16 115.95 121.07 1wse h TRP 104 Ca -0.12 -0.20 -0.16 0.00 2.06 0.00 0.00 58.89 60.48 1wse h TRP 104 Cb 1.88 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 29.74 1wse h TRP 104 CO 0.02 1.00 -0.42 1.96 -3.56 0.00 0.00 178.44 177.44 1wse h GLN 105 N 0.92 0.84 -0.76 0.49 4.20 -1.35 -0.60 115.11 118.85 1wse h GLN 105 Ca 0.16 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 1wse h GLN 105 Cb 0.55 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1wse h GLN 105 CO 0.03 1.12 0.46 -0.09 -0.67 0.00 0.00 178.83 179.68 1wse h ARG 106 N 0.62 1.04 -0.36 1.46 9.65 -1.35 -0.21 114.38 125.23 1wse h ARG 106 Ca 0.04 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1wse h ARG 106 Cb 1.02 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 1wse h ARG 106 CO 0.10 0.74 0.09 1.25 2.80 0.00 0.00 179.97 184.94 1wse h LEU 107 N 1.04 0.54 -1.22 3.80 5.85 -0.49 -2.59 115.31 122.25 1wse h LEU 107 Ca 0.27 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1wse h LEU 107 Cb -0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1wse h LEU 107 CO -0.05 0.64 -0.37 -0.78 -0.34 0.00 0.00 178.44 177.54 1wse h ASP 108 N 0.43 0.04 -0.29 1.25 1.82 -0.75 -1.13 116.42 117.78 1wse h ASP 108 Ca 0.11 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.62 1wse h ASP 108 Cb 0.31 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 1wse h ASP 108 CO 0.00 0.41 -0.27 0.00 -1.61 0.00 0.00 179.24 177.77 1wse h ALA 109 N 1.59 0.43 -0.01 -0.78 0.00 -0.89 -2.86 119.26 116.74 1wse h ALA 109 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1wse h ALA 109 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wse h ALA 109 CO 0.05 0.43 -0.45 0.00 0.00 0.00 0.00 179.25 179.28 1wse h ALA 110 N 0.71 1.23 0.11 0.00 0.00 -1.23 -3.27 119.26 116.81 1wse h ALA 110 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1wse h ALA 110 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wse h ALA 110 CO 0.07 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.77 1wse h LEU 111 N 0.02 -0.13 0.00 0.00 3.38 -1.07 -2.73 115.31 114.78 1wse h LEU 111 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1wse h LEU 111 Cb 0.81 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1wse h LEU 111 CO 0.06 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1wse n GLY 112 N -0.46 -0.36 0.10 0.83 0.00 -1.09 -1.46 105.19 102.75 1wse n GLY 112 Ca -0.08 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1wse n GLY 112 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wse n GLN 113 N -1.23 0.70 -4.05 1.61 -0.06 -1.03 -4.90 117.38 108.41 1wse n GLN 113 Ca 0.02 -0.20 -0.13 0.00 -2.00 0.00 0.00 57.00 54.69 1wse n GLN 113 Cb 0.03 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 24.67 1wse n GLN 113 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1wse s HIS 114 N -2.43 0.86 -0.63 3.69 3.76 -0.53 -4.42 115.29 115.58 1wse s HIS 114 Ca 0.31 -1.16 -0.14 0.00 -0.15 0.00 0.00 55.06 53.92 1wse s HIS 114 Cb 0.20 0.04 0.16 0.00 1.11 0.00 0.00 32.58 34.09 1wse s HIS 114 CO 0.46 -1.14 0.57 -0.65 -0.85 0.00 0.00 174.74 173.12 1wse s GLN 115 N -3.16 3.11 0.25 1.40 -1.52 -0.52 -4.97 119.66 114.25 1wse s GLN 115 Ca 0.28 -2.01 -0.25 0.00 -1.95 0.00 0.00 55.36 51.43 1wse s GLN 115 Cb -0.01 -4.27 -0.09 0.00 -0.22 0.00 0.00 33.01 28.43 1wse s GLN 115 CO 0.17 -1.29 0.86 0.42 -0.25 0.00 0.00 175.29 175.20 1wse s ILE 116 N 1.01 4.29 -0.28 1.08 -1.09 -1.26 -2.53 121.20 122.42 1wse s ILE 116 Ca 0.09 1.73 -0.02 0.00 -2.23 0.00 0.00 60.65 60.23 1wse s ILE 116 Cb -0.22 -4.06 0.09 0.00 -1.58 0.00 0.00 42.46 36.68 1wse s ILE 116 CO -0.02 0.30 0.08 -0.75 -1.23 0.00 0.00 174.94 173.32 1wse s LYS 117 N -1.69 0.67 0.17 2.79 2.47 -0.36 -4.98 119.74 118.80 1wse s LYS 117 Ca 0.44 -0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 53.71 1wse s LYS 117 Cb -0.20 -1.94 -0.07 0.00 -1.46 0.00 0.00 37.83 34.15 1wse s LYS 117 CO 0.25 -0.89 0.98 -1.58 0.16 0.00 0.00 175.35 174.27 1wse s TRP 118 N 1.73 3.84 -0.28 4.03 0.52 -1.26 -1.60 118.94 125.91 1wse s TRP 118 Ca 0.06 1.81 0.01 0.00 0.02 0.00 0.00 56.10 58.01 1wse s TRP 118 Cb -0.17 -3.06 0.08 0.00 -1.15 0.00 0.00 33.47 29.17 1wse s TRP 118 CO -0.22 0.17 0.02 -2.00 0.02 0.00 0.00 176.95 174.94 1wse s GLU 119 N -0.47 1.31 -0.29 4.98 2.12 -0.44 -4.96 118.70 120.96 1wse s GLU 119 Ca 0.45 -1.23 -0.26 0.00 0.36 0.00 0.00 54.97 54.29 1wse s GLU 119 Cb -0.25 -2.58 0.01 0.00 0.26 0.00 0.00 34.13 31.57 1wse s GLU 119 CO 0.31 -0.80 0.92 -1.58 -0.54 0.00 0.00 175.26 173.58 1wse s TRP 120 N 1.34 3.22 -0.14 5.30 0.52 -1.26 -2.41 118.94 125.51 1wse s TRP 120 Ca 0.03 1.07 -0.29 0.00 0.02 0.00 0.00 56.10 56.93 1wse s TRP 120 Cb -0.18 -3.35 -0.02 0.00 -1.15 0.00 0.00 33.47 28.77 1wse s TRP 120 CO -0.12 -0.59 1.37 0.08 0.02 0.00 0.00 176.95 177.71 1wse s VAL 121 N 3.19 4.10 0.00 4.03 1.01 -0.59 -4.99 120.40 127.15 1wse s VAL 121 Ca 0.38 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1wse s VAL 121 Cb -0.14 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1wse s VAL 121 CO 0.12 -0.12 0.00 2.29 0.00 0.00 0.00 175.10 177.39 1wse n LYS 122 N 6.74 0.00 -0.71 2.72 2.85 -1.26 -4.62 118.16 123.88 1wse n LYS 122 Ca 0.15 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.03 1wse n LYS 122 Cb 0.44 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.75 1wse n LYS 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wse n GLY 123 N 5.00 1.63 1.55 2.58 0.00 -1.26 -4.18 105.19 110.51 1wse n GLY 123 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 1wse n GLY 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wse n HIS 124 N 7.59 -0.81 -0.62 1.61 -0.00 -1.26 -4.73 115.22 117.00 1wse n HIS 124 Ca 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 58.11 1wse n HIS 124 Cb 0.34 -1.73 -0.02 0.00 -0.00 0.00 0.00 29.99 28.59 1wse n HIS 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wse n ALA 125 N -0.50 4.46 -2.15 1.57 0.00 -1.26 -4.87 120.51 117.76 1wse n ALA 125 Ca -0.06 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1wse n ALA 125 Cb 0.23 -1.22 0.14 0.00 0.00 0.00 0.00 19.45 18.60 1wse n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wse n GLY 126 N 1.47 -0.46 3.97 0.00 0.00 -1.26 -4.83 105.19 104.09 1wse n GLY 126 Ca 0.10 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1wse n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wse s HIS 127 N -3.07 2.93 0.47 1.61 3.76 -1.26 -4.96 115.29 114.77 1wse s HIS 127 Ca 0.61 0.02 0.16 0.00 -0.15 0.00 0.00 55.06 55.70 1wse s HIS 127 Cb -0.02 -2.65 1.15 0.00 1.11 0.00 0.00 32.58 32.16 1wse s HIS 127 CO 0.42 -0.76 2.02 -1.35 -0.85 0.00 0.00 174.74 174.22 1wse h PRO 128 N 0.16 0.24 -0.54 8.40 0.11 -2.00 -1.01 132.00 137.37 1wse h PRO 128 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1wse h PRO 128 Cb 1.29 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1wse h PRO 128 CO 0.53 0.16 0.20 0.93 -0.21 0.00 0.00 178.00 179.61 1wse h GLU 129 N 0.25 0.78 -0.20 1.05 3.07 -1.99 0.91 114.58 118.45 1wse h GLU 129 Ca 0.21 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.84 1wse h GLU 129 Cb 0.50 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1wse h GLU 129 CO -0.04 0.65 -0.33 -0.91 -1.40 0.00 0.00 179.01 176.98 1wse h ASN 130 N 0.77 0.42 -0.40 1.42 4.21 -1.56 -1.14 115.58 119.30 1wse h ASN 130 Ca 0.18 -0.16 -0.10 0.00 1.21 0.00 0.00 56.30 57.43 1wse h ASN 130 Cb 0.17 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1wse h ASN 130 CO -0.02 0.73 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.37 1wse h GLU 131 N 0.35 0.81 -0.53 0.81 4.39 -1.02 -2.04 114.58 117.36 1wse h GLU 131 Ca 0.04 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1wse h GLU 131 Cb 0.76 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1wse h GLU 131 CO 0.06 0.97 0.35 -0.09 -1.16 0.00 0.00 179.01 179.13 1wse h ARG 132 N 0.62 0.70 -0.69 2.33 9.65 -0.58 -0.15 114.38 126.27 1wse h ARG 132 Ca 0.09 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1wse h ARG 132 Cb 0.70 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 1wse h ARG 132 CO 0.05 0.47 0.45 0.00 2.80 0.00 0.00 179.97 183.74 1wse h ASP 134 N 0.93 0.80 -0.39 0.00 3.58 -0.68 0.71 116.42 121.37 1wse h ASP 134 Ca 0.25 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.64 1wse h ASP 134 Cb -0.10 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1wse h ASP 134 CO -0.05 0.53 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.46 1wse h GLU 135 N 0.94 0.72 -0.78 0.28 5.08 -0.07 -1.27 114.58 119.48 1wse h GLU 135 Ca 0.34 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1wse h GLU 135 Cb 0.11 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1wse h GLU 135 CO -0.15 0.83 0.33 -0.07 -1.00 0.00 0.00 179.01 178.95 1wse h LEU 136 N 0.53 1.06 -0.18 1.33 3.38 -0.39 0.85 115.31 121.89 1wse h LEU 136 Ca 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1wse h LEU 136 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wse h LEU 136 CO 0.03 0.93 -0.03 0.00 0.09 0.00 0.00 178.44 179.46 1wse h ALA 137 N 1.22 0.25 -0.54 1.53 0.00 -0.75 -0.30 119.26 120.67 1wse h ALA 137 Ca 0.26 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wse h ALA 137 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wse h ALA 137 CO -0.02 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.35 1wse h ARG 138 N 0.06 0.87 -0.20 0.00 2.47 -1.02 0.24 114.38 116.80 1wse h ARG 138 Ca 0.05 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1wse h ARG 138 Cb 0.46 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1wse h ARG 138 CO 0.02 0.82 0.11 0.00 0.56 0.00 0.00 179.97 181.48 1wse h ALA 139 N 1.01 0.26 -0.87 0.04 0.00 -0.81 -2.17 119.26 116.71 1wse h ALA 139 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wse h ALA 139 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1wse h ALA 139 CO 0.00 -0.21 0.45 0.00 0.00 0.00 0.00 179.25 179.49 1wse h ALA 140 N 1.00 1.15 -0.05 0.00 0.00 -0.66 -2.22 119.26 118.49 1wse h ALA 140 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wse h ALA 140 Cb 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1wse h ALA 140 CO -0.01 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 1wse h ALA 141 N 1.26 1.87 -0.01 0.00 0.00 -0.18 -1.22 119.26 120.99 1wse h ALA 141 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wse h ALA 141 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wse h ALA 141 CO -0.04 0.10 -0.05 -1.33 0.00 0.00 0.00 179.25 177.93 1wse n MET 142 N -4.47 1.03 -3.07 0.00 2.81 -0.85 -4.11 117.12 108.47 1wse n MET 142 Ca -0.02 -0.35 -0.16 0.00 -1.81 0.00 0.00 57.70 55.36 1wse n MET 142 Cb 0.14 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1wse n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wse n ASN 143 N -0.68 -0.03 -4.74 7.83 4.05 -0.48 -5.09 115.26 116.12 1wse n ASN 143 Ca 0.19 -3.15 -0.41 0.00 0.45 0.00 0.00 54.58 51.65 1wse n ASN 143 Cb 0.24 0.02 -0.03 0.00 1.23 0.00 0.00 39.78 41.25 1wse n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wse s PRO 144 N -1.65 4.29 0.00 1.20 0.04 -1.13 -4.67 135.00 133.08 1wse s PRO 144 Ca 0.35 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1wse s PRO 144 Cb 0.32 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1wse s PRO 144 CO -0.08 -0.40 0.00 0.25 0.04 0.00 0.00 177.00 176.81 1wse n THR 145 N 2.59 0.00 -4.48 1.26 -2.24 -0.93 -4.81 114.28 105.67 1wse n THR 145 Ca 0.07 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 1wse n THR 145 Cb 0.41 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 1wse n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wse s LEU 146 N -1.54 2.31 0.12 3.22 1.43 -0.99 -5.01 118.68 118.23 1wse s LEU 146 Ca 0.00 -1.37 0.06 0.00 -1.03 0.00 0.00 54.13 51.79 1wse s LEU 146 Cb 0.00 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1wse s LEU 146 CO 0.00 -0.57 -0.03 -1.61 0.23 0.00 0.00 176.35 174.37 1wse s GLU 147 N -3.85 2.38 -0.85 1.70 2.02 -1.26 -1.31 118.70 117.53 1wse s GLU 147 Ca 0.36 -0.97 -0.15 0.00 0.02 0.00 0.00 54.97 54.23 1wse s GLU 147 Cb 0.09 -2.42 0.20 0.00 0.10 0.00 0.00 34.13 32.10 1wse s GLU 147 CO 0.16 0.51 0.84 0.34 0.02 0.00 0.00 175.26 177.13 1wse s ASP 148 N -2.47 6.73 0.00 -0.19 3.68 -1.26 -4.85 116.67 118.30 1wse s ASP 148 Ca 0.25 -2.54 0.23 0.00 2.13 0.00 0.00 52.55 52.62 1wse s ASP 148 Cb -0.11 -2.25 1.03 0.00 -1.45 0.00 0.00 42.92 40.14 1wse s ASP 148 CO 0.17 -0.68 1.73 0.35 0.13 0.00 0.00 175.17 176.87 1wse n THR 149 N 4.32 0.39 0.79 1.71 -2.24 -1.26 -2.50 114.28 115.49 1wse n THR 149 Ca 0.16 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 1wse n THR 149 Cb 0.47 -0.72 0.36 0.00 -2.10 0.00 0.00 70.33 68.34 1wse n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wse n GLY 150 N 0.75 -1.47 3.66 3.38 0.00 -1.26 -4.84 105.19 105.42 1wse n GLY 150 Ca 0.07 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1wse n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wse s TYR 151 N -3.07 3.38 -0.50 1.61 6.14 -1.04 -4.98 117.35 118.88 1wse s TYR 151 Ca 0.10 1.33 -0.24 0.00 0.64 0.00 0.00 57.07 58.90 1wse s TYR 151 Cb 0.16 -3.13 0.03 0.00 0.42 0.00 0.00 41.96 39.44 1wse s TYR 151 CO 0.64 -0.36 0.90 -0.65 0.64 0.00 0.00 175.55 176.72 1wse s GLN 152 N 2.65 3.40 -0.05 4.97 -0.21 -1.26 -4.98 119.66 124.17 1wse s GLN 152 Ca 0.40 -0.12 -0.36 0.00 0.02 0.00 0.00 55.36 55.30 1wse s GLN 152 Cb -0.16 -3.99 -0.14 0.00 1.00 0.00 0.00 33.01 29.72 1wse s GLN 152 CO 0.10 -1.33 1.70 0.28 -2.12 0.00 0.00 175.29 173.91 1wse n VAL 153 N 6.24 0.30 0.70 1.09 0.31 -1.26 -4.85 118.33 120.86 1wse n VAL 153 Ca 0.03 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.39 1wse n VAL 153 Cb 0.48 -1.48 0.06 0.00 -0.91 0.00 0.00 33.84 31.98 1wse n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wse n GLU 154 N 5.01 1.38 0.00 5.55 1.02 -1.26 -5.21 120.64 127.13 1wse n GLU 154 Ca 0.22 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 1wse n GLU 154 Cb 0.24 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1wse n GLU 154 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86