#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wse s LEU 2 N 0.00 4.23 0.35 -0.89 1.43 -1.26 -4.97 118.68 117.56 1wse s LEU 2 Ca 0.00 2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 55.25 1wse s LEU 2 Cb 0.00 -3.96 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 1wse s LEU 2 CO 0.00 -0.69 1.42 -0.54 0.23 0.00 0.00 176.35 176.78 1wse s LYS 3 N -2.22 4.21 -0.14 1.70 1.02 -1.26 -4.66 119.74 118.38 1wse s LYS 3 Ca 0.56 2.42 -0.11 0.00 0.02 0.00 0.00 55.97 58.86 1wse s LYS 3 Cb -0.33 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1wse s LYS 3 CO 0.42 -0.40 0.22 -1.14 -0.92 0.00 0.00 175.35 173.52 1wse s GLN 4 N -1.79 3.99 0.03 1.68 0.74 -1.26 -0.94 119.66 122.11 1wse s GLN 4 Ca 0.52 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.95 1wse s GLN 4 Cb -0.44 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1wse s GLN 4 CO 0.57 0.44 -0.11 0.08 -0.55 0.00 0.00 175.29 175.72 1wse s VAL 5 N -0.11 0.88 -0.17 1.34 1.01 0.20 -4.73 120.40 118.82 1wse s VAL 5 Ca 0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1wse s VAL 5 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1wse s VAL 5 CO 0.03 0.00 -0.03 -1.61 0.00 0.00 0.00 175.10 173.50 1wse s GLU 6 N -0.91 3.64 -0.06 2.72 2.02 -0.21 -1.15 118.70 124.74 1wse s GLU 6 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.50 1wse s GLU 6 Cb -0.07 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1wse s GLU 6 CO 0.01 0.15 -0.18 0.42 0.02 0.00 0.00 175.26 175.68 1wse s ILE 7 N 0.61 1.54 -0.07 -1.63 1.01 -0.63 0.44 121.20 122.47 1wse s ILE 7 Ca -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1wse s ILE 7 Cb -0.14 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1wse s ILE 7 CO 0.02 0.44 -0.23 -0.36 0.00 0.00 0.00 174.94 174.81 1wse s PHE 8 N 0.28 2.50 0.02 3.97 0.08 -0.03 -0.58 117.98 124.21 1wse s PHE 8 Ca -0.11 -0.73 -0.00 0.00 0.12 0.00 0.00 56.93 56.21 1wse s PHE 8 Cb -0.14 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 1wse s PHE 8 CO 0.04 -0.22 -0.02 0.95 -0.10 0.00 0.00 175.22 175.87 1wse s THR 9 N -0.08 0.10 -0.05 0.64 -4.23 -0.61 -0.23 115.64 111.18 1wse s THR 9 Ca -0.06 -0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 1wse s THR 9 Cb -0.14 -0.24 0.04 0.00 1.34 0.00 0.00 72.50 73.49 1wse s THR 9 CO 0.04 -0.45 0.42 -0.62 -0.54 0.00 0.00 174.62 173.47 1wse s ASP 10 N -1.33 -0.34 0.09 3.99 3.68 0.15 -4.26 116.67 118.66 1wse s ASP 10 Ca -0.15 0.36 0.10 0.00 2.13 0.00 0.00 52.55 54.99 1wse s ASP 10 Cb -0.09 0.46 -0.03 0.00 -1.45 0.00 0.00 42.92 41.80 1wse s ASP 10 CO -0.01 -0.44 -0.25 -0.83 0.13 0.00 0.00 175.17 173.78 1wse s GLY 11 N -1.05 1.41 -0.09 2.66 0.00 -1.26 -1.35 107.32 107.64 1wse s GLY 11 Ca -0.11 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.21 1wse s GLY 11 CO 0.05 -1.27 0.25 -0.45 0.00 0.00 0.00 173.10 171.68 1wse s SER 12 N -1.69 -0.25 -0.12 1.64 0.15 -0.30 -4.81 113.70 108.32 1wse s SER 12 Ca 0.11 0.49 -0.11 0.00 0.70 0.00 0.00 55.95 57.14 1wse s SER 12 Cb -0.10 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1wse s SER 12 CO 0.04 -0.09 0.32 0.00 1.20 0.00 0.00 173.24 174.71 1wse n LEU 14 N 2.96 3.97 0.00 0.00 4.77 0.14 -4.88 117.00 123.95 1wse n LEU 14 Ca -0.13 -2.01 0.04 0.00 -0.03 0.00 0.00 56.01 53.88 1wse n LEU 14 Cb 0.58 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1wse n LEU 14 CO 0.16 0.54 1.02 0.61 -1.33 0.00 0.00 177.39 178.38 1wse n GLY 15 N 0.59 0.17 2.59 -0.72 0.00 -1.26 -4.80 105.19 101.77 1wse n GLY 15 Ca 0.19 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 1wse n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wse s ASN 16 N -3.57 0.31 0.97 1.61 2.47 -1.26 -3.87 114.94 111.60 1wse s ASN 16 Ca 0.28 -2.32 -0.15 0.00 0.42 0.00 0.00 52.86 51.09 1wse s ASN 16 Cb -0.00 0.59 0.18 0.00 -1.45 0.00 0.00 41.25 40.57 1wse s ASN 16 CO -0.02 -0.14 1.21 -2.16 -3.72 0.00 0.00 177.10 172.27 1wse s PRO 17 N 0.60 0.66 0.00 0.43 0.04 -1.26 -5.11 135.00 130.36 1wse s PRO 17 Ca 0.29 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1wse s PRO 17 Cb -0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1wse s PRO 17 CO -0.11 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1wse n GLY 18 N -2.73 -0.90 3.71 0.56 0.00 0.11 -4.90 105.19 101.05 1wse n GLY 18 Ca 0.11 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.50 2.73 -4.15 1.61 -0.02 -1.05 0.08 135.00 133.70 1wse n PRO 19 Ca 0.00 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.32 1wse n PRO 19 Cb 0.00 -2.83 -0.07 0.00 -0.02 0.00 0.00 33.50 30.58 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 1.26 1.53 0.07 -1.23 0.00 -0.48 -0.68 107.32 107.79 1wse s GLY 20 Ca 0.76 -1.59 -0.26 0.00 0.00 0.00 0.00 44.72 43.63 1wse s GLY 20 CO 0.33 -1.15 0.71 -0.32 0.00 0.00 0.00 173.10 172.67 1wse s GLY 21 N -3.22 -0.55 0.25 0.20 0.00 0.83 -0.44 107.32 104.39 1wse s GLY 21 Ca 0.34 0.81 0.11 0.00 0.00 0.00 0.00 44.72 45.98 1wse s GLY 21 CO 0.18 0.34 -0.19 -2.52 0.00 0.00 0.00 173.10 170.91 1wse s TYR 22 N -3.16 2.34 -0.07 1.90 -0.85 -0.96 -1.15 117.35 115.41 1wse s TYR 22 Ca 0.01 -0.32 -0.05 0.00 -0.52 0.00 0.00 57.07 56.18 1wse s TYR 22 Cb -0.01 -1.06 0.02 0.00 0.38 0.00 0.00 41.96 41.29 1wse s TYR 22 CO -0.09 0.64 0.17 0.20 -1.52 0.00 0.00 175.55 174.96 1wse s GLY 23 N -3.25 -0.11 0.04 5.49 0.00 -0.46 -3.27 107.32 105.76 1wse s GLY 23 Ca 0.27 0.58 -0.10 0.00 0.00 0.00 0.00 44.72 45.47 1wse s GLY 23 CO 0.14 0.63 0.21 0.00 0.00 0.00 0.00 173.10 174.09 1wse s ALA 24 N 0.45 -0.43 -0.03 3.20 0.00 -0.87 -0.67 121.76 123.40 1wse s ALA 24 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1wse s ALA 24 Cb -0.04 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1wse s ALA 24 CO -0.02 -0.36 -0.01 0.42 0.00 0.00 0.00 175.76 175.79 1wse s ILE 25 N -2.43 0.28 -0.24 0.00 1.01 0.68 -2.28 121.20 118.21 1wse s ILE 25 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1wse s ILE 25 Cb -0.02 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.11 1wse s ILE 25 CO -0.03 0.17 -0.04 -0.22 0.00 0.00 0.00 174.94 174.81 1wse s LEU 26 N 0.98 3.08 -0.12 2.97 0.20 0.08 -0.85 118.68 125.02 1wse s LEU 26 Ca -0.10 -0.63 -0.01 0.00 0.69 0.00 0.00 54.13 54.08 1wse s LEU 26 Cb -0.14 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 1wse s LEU 26 CO -0.01 -0.08 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.28 1wse s ARG 27 N 1.41 3.26 -0.19 1.98 3.00 0.17 0.55 118.95 129.12 1wse s ARG 27 Ca 0.03 -0.60 -0.04 0.00 -1.00 0.00 0.00 55.73 54.12 1wse s ARG 27 Cb -0.15 -2.69 0.08 0.00 0.00 0.00 0.00 34.95 32.18 1wse s ARG 27 CO -0.04 0.36 0.16 -0.47 0.00 0.00 0.00 175.30 175.31 1wse s TYR 28 N -0.00 -0.05 -1.17 5.12 6.04 0.54 -1.04 117.35 126.79 1wse s TYR 28 Ca -0.02 -0.05 -0.09 0.00 0.04 0.00 0.00 57.07 56.95 1wse s TYR 28 Cb -0.14 -0.53 -0.02 0.00 -1.04 0.00 0.00 41.96 40.23 1wse s TYR 28 CO 0.03 -0.57 0.81 0.54 -1.54 0.00 0.00 175.55 174.82 1wse n ARG 29 N 5.30 -2.96 0.00 4.97 1.74 -1.26 -2.55 116.66 121.90 1wse n ARG 29 Ca -0.06 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1wse n ARG 29 Cb 0.49 -5.05 0.00 0.00 -1.02 0.00 0.00 32.46 26.88 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 -1.49 1.38 3.80 -0.13 0.00 -1.26 -4.97 105.19 102.53 1wse n GLY 30 Ca -0.16 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1wse n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wse s ARG 31 N 0.00 3.93 0.02 1.61 0.52 -1.06 -5.05 118.95 118.92 1wse s ARG 31 Ca 0.00 1.29 -0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1wse s ARG 31 Cb 0.00 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1wse s ARG 31 CO 0.00 -0.31 -0.02 -1.83 0.02 0.00 0.00 175.30 173.16 1wse s GLU 32 N -3.22 0.29 0.02 3.54 -1.05 -1.26 -0.34 118.70 116.69 1wse s GLU 32 Ca 0.66 -0.55 0.07 0.00 -0.15 0.00 0.00 54.97 55.00 1wse s GLU 32 Cb -0.14 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 1wse s GLU 32 CO 0.18 -0.05 -0.21 0.15 0.95 0.00 0.00 175.26 176.28 1wse s LYS 33 N -1.33 2.06 0.17 -4.83 1.02 0.19 -4.94 119.74 112.08 1wse s LYS 33 Ca -0.15 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 54.93 1wse s LYS 33 Cb -0.09 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1wse s LYS 33 CO -0.01 0.55 0.06 0.99 -0.92 0.00 0.00 175.35 176.01 1wse s THR 34 N -0.83 4.05 -0.09 2.17 2.01 -1.26 -0.74 115.64 120.93 1wse s THR 34 Ca 0.13 -1.28 -0.07 0.00 0.31 0.00 0.00 61.69 60.78 1wse s THR 34 Cb -0.10 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.39 1wse s THR 34 CO 0.03 -0.11 0.24 -0.36 -0.69 0.00 0.00 174.62 173.73 1wse s PHE 35 N -1.74 -0.28 -0.14 4.92 0.08 -0.97 -5.00 117.98 114.85 1wse s PHE 35 Ca 0.29 0.68 -0.30 0.00 0.12 0.00 0.00 56.93 57.72 1wse s PHE 35 Cb -0.10 0.08 0.10 0.00 -0.57 0.00 0.00 43.02 42.53 1wse s PHE 35 CO 0.21 -0.16 0.86 0.45 -0.10 0.00 0.00 175.22 176.48 1wse s SER 36 N 0.44 -0.51 -0.25 1.36 0.15 -1.26 -2.06 113.70 111.57 1wse s SER 36 Ca -0.03 0.65 -0.26 0.00 0.70 0.00 0.00 55.95 57.01 1wse s SER 36 Cb -0.04 0.54 0.12 0.00 -1.71 0.00 0.00 66.02 64.92 1wse s SER 36 CO -0.02 -0.41 0.99 0.00 1.20 0.00 0.00 173.24 174.99 1wse s ALA 37 N -0.88 -1.94 0.02 5.45 0.00 -1.20 -5.01 121.76 118.18 1wse s ALA 37 Ca -0.04 1.80 0.05 0.00 0.00 0.00 0.00 51.96 53.77 1wse s ALA 37 Cb -0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1wse s ALA 37 CO 0.04 -0.26 -0.11 0.20 0.00 0.00 0.00 175.76 175.62 1wse s GLY 38 N -0.10 1.68 0.06 0.00 0.00 -1.26 -2.26 107.32 105.44 1wse s GLY 38 Ca 0.01 -1.09 0.09 0.00 0.00 0.00 0.00 44.72 43.73 1wse s GLY 38 CO -0.03 -0.97 -0.24 -0.19 0.00 0.00 0.00 173.10 171.67 1wse s TYR 39 N -0.97 2.10 0.10 1.90 1.51 0.41 -2.04 117.35 120.37 1wse s TYR 39 Ca 0.16 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.66 1wse s TYR 39 Cb -0.11 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.45 1wse s TYR 39 CO 0.07 0.15 1.50 1.79 -1.11 0.00 0.00 175.55 177.94 1wse h THR 40 N 4.22 1.28 -3.04 -0.71 1.35 -1.46 -1.27 112.91 113.27 1wse h THR 40 Ca -0.46 -1.12 -0.59 0.00 -0.55 0.00 0.00 66.41 63.69 1wse h THR 40 Cb 1.15 1.36 -0.40 0.00 -1.73 0.00 0.00 68.15 68.53 1wse h THR 40 CO 0.43 0.36 -0.76 -0.60 -0.25 0.00 0.00 175.52 174.70 1wse s ARG 41 N -4.77 0.80 0.12 4.72 6.06 -1.26 -2.54 118.95 122.08 1wse s ARG 41 Ca -0.13 -1.29 0.00 0.00 -2.50 0.00 0.00 55.73 51.81 1wse s ARG 41 Cb 0.09 -1.96 -0.00 0.00 0.06 0.00 0.00 34.95 33.14 1wse s ARG 41 CO 0.79 -1.05 0.15 -2.37 -2.50 0.00 0.00 175.30 170.32 1wse n THR 42 N 4.48 0.00 -4.37 4.11 5.66 0.11 -4.43 114.28 119.84 1wse n THR 42 Ca 0.02 -0.67 -0.21 0.00 -3.05 0.00 0.00 64.05 60.14 1wse n THR 42 Cb 0.40 0.39 -0.10 0.00 -1.55 0.00 0.00 70.33 69.46 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 -2.54 1.94 0.23 1.09 -4.23 -1.26 0.07 115.64 110.94 1wse s THR 43 Ca 0.11 -2.19 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 1wse s THR 43 Cb -0.00 -2.06 0.20 0.00 1.34 0.00 0.00 72.50 71.98 1wse s THR 43 CO 0.08 -0.48 1.87 -1.13 -0.54 0.00 0.00 174.62 174.41 1wse h ASN 44 N 2.65 0.88 0.52 3.99 -1.24 -1.87 -2.37 115.58 118.13 1wse h ASN 44 Ca -0.39 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.60 1wse h ASN 44 Cb 1.23 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.08 1wse h ASN 44 CO 0.59 0.59 -0.37 0.78 -1.29 0.00 0.00 177.43 177.73 1wse h ASN 45 N 1.02 -0.95 -0.97 1.15 -0.26 -1.96 -0.35 115.58 113.26 1wse h ASN 45 Ca 0.35 0.06 0.10 0.00 -0.56 0.00 0.00 56.30 56.25 1wse h ASN 45 Cb 0.05 0.29 -0.08 0.00 -1.06 0.00 0.00 38.32 37.53 1wse h ASN 45 CO -0.13 -0.55 0.61 0.03 -1.06 0.00 0.00 177.43 176.32 1wse h ARG 46 N -0.86 0.97 -0.68 0.81 3.08 -1.95 -1.23 114.38 114.53 1wse h ARG 46 Ca -0.06 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1wse h ARG 46 Cb 0.72 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1wse h ARG 46 CO 0.03 0.64 0.27 0.52 -1.07 0.00 0.00 179.97 180.36 1wse h MET 47 N 1.00 1.01 -0.63 0.04 2.86 -1.12 -0.18 114.93 117.92 1wse h MET 47 Ca 0.46 -0.19 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 1wse h MET 47 Cb 0.39 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 1wse h MET 47 CO -0.24 0.85 0.32 0.00 1.06 0.00 0.00 176.91 178.90 1wse h ALA 48 N 1.12 0.83 -0.22 6.32 0.00 0.05 -1.73 119.26 125.64 1wse h ALA 48 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1wse h ALA 48 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wse h ALA 48 CO -0.02 -0.03 -0.01 -0.07 0.00 0.00 0.00 179.25 179.13 1wse h LEU 49 N 0.60 0.38 -0.66 0.00 3.38 -0.65 -3.22 115.31 115.14 1wse h LEU 49 Ca 0.29 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1wse h LEU 49 Cb 0.22 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1wse h LEU 49 CO -0.20 0.60 0.25 -0.03 0.09 0.00 0.00 178.44 179.15 1wse h MET 50 N 0.14 0.41 -0.08 1.13 4.05 -0.43 -0.88 114.93 119.26 1wse h MET 50 Ca 0.06 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 1wse h MET 50 Cb 0.41 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 1wse h MET 50 CO 0.01 0.27 -0.42 0.00 0.23 0.00 0.00 176.91 177.00 1wse h ALA 51 N 1.46 -0.62 -0.52 0.39 0.00 -1.35 0.31 119.26 118.94 1wse h ALA 51 Ca 0.34 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1wse h ALA 51 Cb 0.45 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1wse h ALA 51 CO -0.34 -0.93 0.23 0.00 0.00 0.00 0.00 179.25 178.20 1wse h ALA 52 N 0.07 0.65 0.40 0.00 0.00 -1.42 -2.50 119.26 116.47 1wse h ALA 52 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wse h ALA 52 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wse h ALA 52 CO -0.36 -0.15 -0.19 0.82 0.00 0.00 0.00 179.25 179.36 1wse h ILE 53 N 0.44 0.61 -0.10 0.00 2.04 -0.42 -2.37 117.51 117.71 1wse h ILE 53 Ca 0.24 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1wse h ILE 53 Cb 0.21 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1wse h ILE 53 CO -0.21 0.01 -0.14 0.58 0.00 0.00 0.00 178.15 178.40 1wse h VAL 54 N -0.57 0.64 -0.49 1.67 2.07 -0.27 -1.14 116.25 118.16 1wse h VAL 54 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1wse h VAL 54 Cb 0.43 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1wse h VAL 54 CO 0.09 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.99 1wse h ALA 55 N 0.86 0.62 -0.32 1.67 0.00 -1.48 -2.61 119.26 117.99 1wse h ALA 55 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wse h ALA 55 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wse h ALA 55 CO -0.20 0.04 0.19 -0.07 0.00 0.00 0.00 179.25 179.21 1wse h LEU 56 N 0.64 0.40 -1.01 0.00 3.38 -1.09 -2.21 115.31 115.41 1wse h LEU 56 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wse h LEU 56 Cb -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1wse h LEU 56 CO -0.05 0.35 0.00 -0.33 0.09 0.00 0.00 178.44 178.49 1wse h GLU 57 N 0.41 0.00 0.00 1.13 5.08 -1.12 -2.26 114.58 117.82 1wse h GLU 57 Ca 0.12 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1wse h GLU 57 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1wse h GLU 57 CO -0.02 0.00 -0.54 0.00 -1.00 0.00 0.00 179.01 177.45 1wse h ALA 58 N 2.17 1.01 -2.70 3.43 0.00 -1.00 -3.44 119.26 118.73 1wse h ALA 58 Ca 0.00 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.89 1wse h ALA 58 Cb 0.27 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.03 1wse h ALA 58 CO 0.00 0.68 0.88 -0.51 0.00 0.00 0.00 179.25 180.30 1wse s LEU 59 N -7.53 4.37 -0.04 0.00 1.43 -0.85 -4.91 118.68 111.14 1wse s LEU 59 Ca -0.01 2.77 0.21 0.00 -1.03 0.00 0.00 54.13 56.07 1wse s LEU 59 Cb 0.12 -3.61 0.66 0.00 0.03 0.00 0.00 46.19 43.39 1wse s LEU 59 CO 0.74 -0.85 1.56 0.29 0.23 0.00 0.00 176.35 178.32 1wse n LYS 60 N 3.09 3.07 -3.51 1.70 4.76 -1.26 -4.95 118.16 121.06 1wse n LYS 60 Ca 0.11 -2.73 -0.14 0.00 -2.87 0.00 0.00 58.31 52.68 1wse n LYS 60 Cb 0.38 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 1wse n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wse s GLU 61 N -1.28 0.95 0.22 1.97 -1.05 -1.26 -5.13 118.70 113.11 1wse s GLU 61 Ca 0.49 0.04 -0.32 0.00 -0.15 0.00 0.00 54.97 55.03 1wse s GLU 61 Cb 0.28 0.45 -0.14 0.00 -0.44 0.00 0.00 34.13 34.27 1wse s GLU 61 CO 0.30 -0.34 1.36 0.72 0.95 0.00 0.00 175.26 178.26 1wse n HIS 62 N 0.51 1.97 -4.31 4.83 8.25 -1.26 -4.98 115.22 120.23 1wse n HIS 62 Ca -0.15 0.48 -0.18 0.00 -0.26 0.00 0.00 57.72 57.60 1wse n HIS 62 Cb 0.59 -2.42 -0.09 0.00 1.12 0.00 0.00 29.99 29.19 1wse n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wse s GLU 64 N -3.77 3.18 -0.17 0.00 2.12 -0.11 -0.13 118.70 119.82 1wse s GLU 64 Ca 0.37 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 1wse s GLU 64 Cb 0.04 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 1wse s GLU 64 CO 0.19 -0.42 -0.05 0.08 -0.54 0.00 0.00 175.26 174.51 1wse s VAL 65 N 1.53 3.61 -0.70 3.70 1.01 0.16 -0.63 120.40 129.09 1wse s VAL 65 Ca 0.03 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1wse s VAL 65 Cb -0.17 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 33.75 1wse s VAL 65 CO 0.03 0.47 0.79 -0.63 0.00 0.00 0.00 175.10 175.77 1wse s ILE 66 N 0.69 4.95 -0.34 2.22 -1.09 -0.30 -0.53 121.20 126.81 1wse s ILE 66 Ca -0.03 -1.37 -0.21 0.00 -2.23 0.00 0.00 60.65 56.81 1wse s ILE 66 Cb -0.15 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1wse s ILE 66 CO 0.02 -1.18 0.69 -0.22 -1.23 0.00 0.00 174.94 173.02 1wse s LEU 67 N 2.22 4.18 -0.23 2.97 0.20 -0.29 -1.61 118.68 126.12 1wse s LEU 67 Ca 0.16 0.33 -0.03 0.00 0.69 0.00 0.00 54.13 55.28 1wse s LEU 67 Cb -0.18 -2.89 0.00 0.00 -0.43 0.00 0.00 46.19 42.69 1wse s LEU 67 CO 0.01 -0.60 -0.05 -0.55 -0.29 0.00 0.00 176.35 174.87 1wse s SER 68 N 1.74 4.29 0.07 3.68 0.15 0.25 -0.45 113.70 123.43 1wse s SER 68 Ca 0.27 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1wse s SER 68 Cb -0.14 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1wse s SER 68 CO 0.14 -0.05 -0.06 0.28 1.20 0.00 0.00 173.24 174.75 1wse s THR 69 N 1.44 0.50 -0.54 6.45 -1.32 -1.23 -1.57 115.64 119.38 1wse s THR 69 Ca 0.05 -1.56 0.09 0.00 -1.21 0.00 0.00 61.69 59.05 1wse s THR 69 Cb -0.15 -1.20 -0.07 0.00 -1.51 0.00 0.00 72.50 69.58 1wse s THR 69 CO -0.04 -0.72 0.44 -0.90 -2.21 0.00 0.00 174.62 171.19 1wse n ASP 70 N 0.59 0.63 -4.66 8.08 5.75 -1.26 -1.78 116.55 123.89 1wse n ASP 70 Ca -0.17 -0.82 -0.42 0.00 -0.01 0.00 0.00 54.79 53.37 1wse n ASP 70 Cb 0.58 0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 41.49 1wse n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wse s SER 71 N -1.66 6.67 0.29 -1.12 0.15 -1.26 -4.88 113.70 111.89 1wse s SER 71 Ca 0.05 2.26 0.13 0.00 0.70 0.00 0.00 55.95 59.09 1wse s SER 71 Cb 0.07 -2.54 0.39 0.00 -1.71 0.00 0.00 66.02 62.23 1wse s SER 71 CO 0.32 -0.92 1.61 -0.61 1.20 0.00 0.00 173.24 174.84 1wse h GLN 72 N 9.38 0.00 -0.46 5.44 4.15 -1.99 -2.25 115.11 129.39 1wse h GLN 72 Ca -0.40 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 1wse h GLN 72 Cb 1.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 1wse h GLN 72 CO 0.95 0.57 0.17 -0.92 -1.93 0.00 0.00 178.83 177.67 1wse h TYR 73 N 0.00 0.71 -0.21 3.99 3.20 -1.98 0.36 116.97 123.04 1wse h TYR 73 Ca -0.01 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1wse h TYR 73 Cb 1.11 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1wse h TYR 73 CO 0.00 0.62 -0.04 0.28 -1.64 0.00 0.00 178.16 177.37 1wse h VAL 74 N 0.60 1.28 -0.51 1.81 2.07 -1.91 -0.87 116.25 118.74 1wse h VAL 74 Ca 0.15 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1wse h VAL 74 Cb 0.21 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1wse h VAL 74 CO -0.01 0.31 0.24 -0.09 0.02 0.00 0.00 177.57 178.03 1wse h ARG 75 N 0.13 0.73 -0.56 1.57 2.43 -1.25 -1.93 114.38 115.51 1wse h ARG 75 Ca 0.05 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1wse h ARG 75 Cb 0.48 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1wse h ARG 75 CO 0.02 0.62 0.35 0.37 -1.51 0.00 0.00 179.97 179.81 1wse h GLN 76 N 0.67 0.67 -0.36 0.20 4.15 -0.19 -0.41 115.11 119.85 1wse h GLN 76 Ca 0.17 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.45 1wse h GLN 76 Cb 0.13 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1wse h GLN 76 CO -0.02 0.45 -0.18 0.78 -1.93 0.00 0.00 178.83 177.92 1wse h GLY 77 N 0.69 0.83 0.66 2.39 0.00 -0.96 -2.63 103.07 104.06 1wse h GLY 77 Ca 0.22 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1wse h GLY 77 CO -0.08 0.68 -0.19 -2.22 0.00 0.00 0.00 176.54 174.73 1wse h ILE 78 N 0.55 0.51 0.00 2.60 1.08 -1.21 0.12 117.51 121.16 1wse h ILE 78 Ca 0.08 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1wse h ILE 78 Cb 0.73 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1wse h ILE 78 CO 0.05 0.08 0.00 0.35 -0.69 0.00 0.00 178.15 177.95 1wse n THR 79 N -5.19 0.00 0.04 -0.27 -2.24 -0.18 -4.18 114.28 102.26 1wse n THR 79 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1wse n THR 79 Cb 0.29 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.55 0.00 -0.00 -0.78 6.02 -0.99 -5.01 117.38 116.06 1wse n GLN 80 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1wse n GLN 80 Cb 0.01 -0.12 -0.02 0.00 1.02 0.00 0.00 30.24 31.14 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 -2.88 0.00 -0.32 1.08 8.01 -0.59 -4.76 117.44 117.99 1wse n TRP 81 Ca 0.00 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.31 1wse n TRP 81 Cb 0.08 -0.04 0.26 0.00 -2.01 0.00 0.00 31.31 29.60 1wse n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wse h ILE 82 N 0.00 0.13 0.91 -0.99 -0.00 -0.98 -0.15 117.51 116.43 1wse h ILE 82 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 64.86 64.80 1wse h ILE 82 Cb 0.09 0.07 0.01 0.00 -0.00 0.00 0.00 36.82 36.99 1wse h ILE 82 CO 0.00 0.01 -0.44 -0.74 -0.00 0.00 0.00 178.15 176.98 1wse h HIS 83 N 0.06 -1.15 -0.24 2.19 2.76 -1.85 -2.86 115.15 114.05 1wse h HIS 83 Ca 0.55 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.76 1wse h HIS 83 Cb 1.09 0.38 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 1wse h HIS 83 CO -0.45 -0.71 0.20 -0.91 -1.30 0.00 0.00 177.93 174.75 1wse h ASN 84 N -1.23 0.00 0.17 3.26 2.35 -1.59 -2.17 115.58 116.36 1wse h ASN 84 Ca -0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1wse h ASN 84 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1wse h ASN 84 CO 0.20 0.00 -0.08 -0.50 -1.65 0.00 0.00 177.43 175.40 1wse h TRP 85 N 0.00 -0.21 -0.31 1.19 6.55 -0.92 -0.23 115.95 122.03 1wse h TRP 85 Ca 0.11 -0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.97 1wse h TRP 85 Cb 0.51 0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.86 1wse h TRP 85 CO 0.00 0.06 0.21 -0.22 -1.05 0.00 0.00 178.44 177.44 1wse h LYS 86 N -0.47 0.32 0.00 0.49 3.64 -1.18 0.23 116.57 119.60 1wse h LYS 86 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wse h LYS 86 Cb 0.36 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1wse h LYS 86 CO 0.04 0.21 -0.18 0.00 -2.27 0.00 0.00 179.45 177.24 1wse h ALA 87 N 1.82 0.91 -0.58 5.00 0.00 -1.29 -3.28 119.26 121.84 1wse h ALA 87 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1wse h ALA 87 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1wse h ALA 87 CO -0.03 0.00 0.18 0.54 0.00 0.00 0.00 179.25 179.94 1wse n ARG 88 N -2.98 2.89 -2.83 0.00 1.74 -0.11 -4.93 116.66 110.44 1wse n ARG 88 Ca 0.03 -3.06 -0.22 0.00 -0.77 0.00 0.00 57.85 53.84 1wse n ARG 88 Cb 0.53 -2.04 0.02 0.00 -1.02 0.00 0.00 32.46 29.95 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 -0.61 -0.51 3.10 -0.13 0.00 -1.03 -2.35 105.19 103.66 1wse n GLY 89 Ca 0.38 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.38 -1.79 -4.47 1.61 7.02 0.68 -4.97 117.44 111.16 1wse n TRP 90 Ca -0.16 0.42 -0.24 0.00 -1.02 0.00 0.00 57.50 56.50 1wse n TRP 90 Cb 0.64 -3.49 -0.10 0.00 -2.42 0.00 0.00 31.31 25.95 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 -5.76 1.67 0.34 -0.99 1.02 -0.99 -2.91 119.74 112.12 1wse s LYS 91 Ca 0.31 -1.78 -0.04 0.00 0.02 0.00 0.00 55.97 54.48 1wse s LYS 91 Cb -0.15 -1.72 0.07 0.00 -0.52 0.00 0.00 37.83 35.51 1wse s LYS 91 CO 0.38 0.30 0.46 0.25 -0.92 0.00 0.00 175.35 175.82 1wse n THR 92 N -0.62 0.00 0.23 2.17 -2.24 0.13 -4.82 114.28 109.12 1wse n THR 92 Ca -0.05 -0.45 0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1wse n THR 92 Cb 0.60 -1.60 0.55 0.00 -2.10 0.00 0.00 70.33 67.78 1wse n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wse h ALA 93 N -1.44 1.57 -0.92 6.98 0.00 -1.98 -2.26 119.26 121.21 1wse h ALA 93 Ca -0.15 -0.17 -0.46 0.00 0.00 0.00 0.00 54.91 54.14 1wse h ALA 93 Cb 0.45 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 17.94 1wse h ALA 93 CO 0.12 0.23 0.56 -0.40 0.00 0.00 0.00 179.25 179.76 1wse n ASP 94 N -4.14 3.78 -2.53 0.00 3.85 -1.26 -4.92 116.55 111.33 1wse n ASP 94 Ca -0.02 -3.58 -0.21 0.00 -0.71 0.00 0.00 54.79 50.27 1wse n ASP 94 Cb 0.25 -0.81 -0.00 0.00 -1.35 0.00 0.00 41.12 39.21 1wse n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wse n LYS 95 N -1.04 -2.34 -4.20 0.11 4.76 -0.85 -5.01 118.16 109.60 1wse n LYS 95 Ca 0.56 0.99 -0.30 0.00 -2.87 0.00 0.00 58.31 56.68 1wse n LYS 95 Cb 1.60 -5.69 -0.09 0.00 -1.84 0.00 0.00 35.03 29.00 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 -5.18 2.33 0.15 1.97 1.02 -1.26 -4.78 119.74 113.99 1wse s LYS 96 Ca 0.06 -0.92 -0.34 0.00 0.02 0.00 0.00 55.97 54.79 1wse s LYS 96 Cb -0.03 -2.42 -0.14 0.00 -0.52 0.00 0.00 37.83 34.72 1wse s LYS 96 CO 0.08 0.53 1.54 -2.30 -0.92 0.00 0.00 175.35 174.28 1wse n PRO 97 N 0.71 2.02 -2.31 -1.68 -0.02 -1.26 0.19 135.00 132.64 1wse n PRO 97 Ca -0.12 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 1wse n PRO 97 Cb 0.52 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.82 3.24 0.31 -1.45 -7.23 -1.15 -4.79 120.40 110.17 1wse s VAL 98 Ca 0.79 0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 61.52 1wse s VAL 98 Cb -0.71 -3.38 -0.13 0.00 0.56 0.00 0.00 36.38 32.72 1wse s VAL 98 CO 0.39 -0.10 1.17 1.17 -0.31 0.00 0.00 175.10 177.42 1wse n LYS 99 N -0.90 1.76 -3.13 4.82 4.81 -1.26 -1.70 118.16 122.56 1wse n LYS 99 Ca 0.09 0.62 -0.21 0.00 -0.87 0.00 0.00 58.31 57.95 1wse n LYS 99 Cb 0.50 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1wse n LYS 99 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wse n ASN 100 N 1.05 -3.98 -0.20 3.14 3.02 -1.26 -4.82 115.26 112.21 1wse n ASN 100 Ca 0.07 -0.25 0.14 0.00 -0.03 0.00 0.00 54.58 54.51 1wse n ASN 100 Cb 0.34 -3.30 0.45 0.00 -0.61 0.00 0.00 39.78 36.66 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 -0.82 0.83 -0.39 2.41 3.04 -1.70 -1.53 116.25 118.09 1wse h VAL 101 Ca -0.41 -0.18 0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1wse h VAL 101 Cb 1.28 0.25 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 1wse h VAL 101 CO 0.49 0.10 0.18 -2.24 -1.01 0.00 0.00 177.57 175.09 1wse h ASP 102 N 0.53 0.25 0.57 3.17 2.03 -1.87 -0.39 116.42 120.71 1wse h ASP 102 Ca 0.39 0.03 -0.24 0.00 -0.73 0.00 0.00 57.03 56.47 1wse h ASP 102 Cb 0.75 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1wse h ASP 102 CO -0.14 0.18 -1.06 -0.07 -1.03 0.00 0.00 179.24 177.12 1wse h LEU 103 N 0.37 0.39 -0.44 0.15 3.38 -1.69 -2.92 115.31 114.54 1wse h LEU 103 Ca 0.17 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1wse h LEU 103 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1wse h LEU 103 CO -0.13 1.22 -0.06 -0.50 0.09 0.00 0.00 178.44 179.05 1wse h TRP 104 N 0.12 0.92 -0.68 1.13 4.06 -1.17 0.54 115.95 120.87 1wse h TRP 104 Ca -0.09 -0.18 -0.06 0.00 2.06 0.00 0.00 58.89 60.62 1wse h TRP 104 Cb 1.75 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.65 1wse h TRP 104 CO 0.05 0.91 0.18 1.96 -3.56 0.00 0.00 178.44 177.98 1wse h GLN 105 N 0.66 1.07 -0.53 0.49 4.20 -1.16 -0.10 115.11 119.74 1wse h GLN 105 Ca 0.12 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1wse h GLN 105 Cb 0.59 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1wse h GLN 105 CO 0.04 0.93 -0.03 -0.09 -0.67 0.00 0.00 178.83 179.00 1wse h ARG 106 N 1.02 0.96 -0.26 1.46 2.43 -1.30 -1.92 114.38 116.76 1wse h ARG 106 Ca 0.22 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1wse h ARG 106 Cb 0.33 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1wse h ARG 106 CO -0.00 0.99 0.05 1.25 -1.51 0.00 0.00 179.97 180.75 1wse h LEU 107 N 0.83 0.40 -0.92 3.80 5.85 -0.51 -2.08 115.31 122.69 1wse h LEU 107 Ca 0.15 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1wse h LEU 107 Cb 0.57 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1wse h LEU 107 CO 0.03 0.54 0.58 -0.78 -0.34 0.00 0.00 178.44 178.47 1wse h ASP 108 N 0.25 0.91 -0.41 1.25 1.82 -0.93 0.24 116.42 119.55 1wse h ASP 108 Ca 0.08 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.65 1wse h ASP 108 Cb 0.30 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1wse h ASP 108 CO 0.00 0.58 -0.05 0.00 -1.61 0.00 0.00 179.24 178.16 1wse h ALA 109 N 1.43 1.00 -0.17 -0.78 0.00 -1.15 -1.28 119.26 118.30 1wse h ALA 109 Ca 0.40 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1wse h ALA 109 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wse h ALA 109 CO -0.18 0.60 -0.44 0.00 0.00 0.00 0.00 179.25 179.24 1wse h ALA 110 N 1.17 0.29 -0.36 0.00 0.00 -0.62 -3.26 119.26 116.47 1wse h ALA 110 Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1wse h ALA 110 Cb 0.53 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1wse h ALA 110 CO 0.03 0.41 0.14 -0.07 0.00 0.00 0.00 179.25 179.76 1wse h LEU 111 N 0.26 0.16 -0.96 0.00 3.38 -0.38 -1.87 115.31 115.90 1wse h LEU 111 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wse h LEU 111 Cb 1.05 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wse h LEU 111 CO 0.09 0.13 0.09 0.61 0.09 0.00 0.00 178.44 179.45 1wse n GLY 112 N -1.22 -0.70 0.07 0.83 0.00 -0.50 -1.31 105.19 102.36 1wse n GLY 112 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1wse n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wse n GLN 113 N -2.02 0.16 -4.20 1.61 1.13 -0.70 -4.93 117.38 108.43 1wse n GLN 113 Ca -0.01 0.18 -0.16 0.00 -1.94 0.00 0.00 57.00 55.06 1wse n GLN 113 Cb 0.11 -1.71 -0.07 0.00 0.11 0.00 0.00 30.24 28.68 1wse n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1wse s HIS 114 N -3.09 1.38 -0.57 1.08 3.76 -0.43 -4.39 115.29 113.04 1wse s HIS 114 Ca 0.11 -1.46 -0.21 0.00 -0.15 0.00 0.00 55.06 53.35 1wse s HIS 114 Cb 0.14 -0.47 0.07 0.00 1.11 0.00 0.00 32.58 33.43 1wse s HIS 114 CO 0.54 -0.90 0.77 -0.65 -0.85 0.00 0.00 174.74 173.65 1wse s GLN 115 N -3.52 3.14 0.03 1.40 -1.52 0.82 -4.96 119.66 115.05 1wse s GLN 115 Ca 0.37 -0.86 -0.19 0.00 -1.95 0.00 0.00 55.36 52.73 1wse s GLN 115 Cb 0.02 -4.16 -0.06 0.00 -0.22 0.00 0.00 33.01 28.60 1wse s GLN 115 CO 0.22 -1.47 0.54 0.42 -0.25 0.00 0.00 175.29 174.75 1wse s ILE 116 N 3.19 4.85 -0.25 1.08 -1.09 -1.26 0.36 121.20 128.08 1wse s ILE 116 Ca 0.19 1.14 -0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1wse s ILE 116 Cb -0.19 -3.87 0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1wse s ILE 116 CO 0.12 0.52 0.10 -0.75 -1.23 0.00 0.00 174.94 173.69 1wse s LYS 117 N -0.79 0.32 0.31 2.79 2.20 0.31 -4.92 119.74 119.96 1wse s LYS 117 Ca 0.28 -0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 55.11 1wse s LYS 117 Cb -0.18 -1.58 -0.09 0.00 -1.51 0.00 0.00 37.83 34.46 1wse s LYS 117 CO 0.17 -0.89 0.99 -1.58 -0.36 0.00 0.00 175.35 173.69 1wse s TRP 118 N 1.99 3.65 -0.34 4.03 0.52 -1.26 -1.14 118.94 126.39 1wse s TRP 118 Ca 0.06 1.77 -0.00 0.00 0.02 0.00 0.00 56.10 57.95 1wse s TRP 118 Cb -0.16 -3.04 0.13 0.00 -1.15 0.00 0.00 33.47 29.25 1wse s TRP 118 CO -0.25 -0.04 0.20 -2.00 0.02 0.00 0.00 176.95 174.88 1wse s GLU 119 N -1.84 0.51 0.01 4.98 2.12 0.40 -4.89 118.70 120.00 1wse s GLU 119 Ca 0.49 -1.23 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1wse s GLU 119 Cb -0.23 -1.30 -0.07 0.00 0.26 0.00 0.00 34.13 32.79 1wse s GLU 119 CO 0.30 -1.18 1.57 -1.58 -0.54 0.00 0.00 175.26 173.82 1wse s TRP 120 N 1.20 2.44 -0.45 5.30 0.52 -1.26 -3.57 118.94 123.11 1wse s TRP 120 Ca 0.17 0.45 -0.04 0.00 0.02 0.00 0.00 56.10 56.70 1wse s TRP 120 Cb -0.22 -3.85 -0.15 0.00 -1.15 0.00 0.00 33.47 28.09 1wse s TRP 120 CO -0.04 -3.39 1.04 0.28 0.02 0.00 0.00 176.95 174.85 1wse n VAL 121 N 4.92 0.00 0.00 4.03 0.31 -0.73 -4.52 118.33 122.33 1wse n VAL 121 Ca 0.15 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1wse n VAL 121 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1wse n VAL 121 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1wse n LYS 122 N 2.77 3.75 0.00 5.55 2.85 -1.26 -4.48 118.16 127.33 1wse n LYS 122 Ca 0.31 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.69 1wse n LYS 122 Cb 0.09 -0.66 0.26 0.00 -0.65 0.00 0.00 35.03 34.07 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 1.47 -1.11 7.00 2.58 0.00 -1.26 -5.02 105.19 108.84 1wse n GLY 123 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1wse n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wse n HIS 124 N -1.33 0.00 0.95 1.61 8.25 -1.26 -0.89 115.22 122.55 1wse n HIS 124 Ca 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1wse n HIS 124 Cb 0.34 0.05 0.29 0.00 1.12 0.00 0.00 29.99 31.79 1wse n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wse n ALA 125 N 8.76 2.03 0.01 -1.41 0.00 -1.26 -2.69 120.51 125.96 1wse n ALA 125 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wse n ALA 125 Cb 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.04 -0.51 2.67 0.00 0.00 -0.07 -2.76 105.19 104.48 1wse n GLY 126 Ca 0.07 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.01 1.85 -0.23 1.61 4.02 -1.09 -4.97 115.29 113.46 1wse s HIS 127 Ca -0.00 -2.37 0.07 0.00 1.02 0.00 0.00 55.06 53.78 1wse s HIS 127 Cb 0.00 -1.74 0.39 0.00 -1.02 0.00 0.00 32.58 30.21 1wse s HIS 127 CO 0.01 -0.78 1.06 -2.30 1.02 0.00 0.00 174.74 173.75 1wse n PRO 128 N 3.47 0.05 -0.09 8.40 -0.02 -1.11 -1.43 135.00 144.27 1wse n PRO 128 Ca 0.11 0.44 -0.06 0.00 -2.02 0.00 0.00 63.50 61.98 1wse n PRO 128 Cb 0.36 -1.93 0.13 0.00 -0.02 0.00 0.00 33.50 32.03 1wse n PRO 128 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wse h GLU 129 N 0.00 0.76 -0.47 -0.52 3.07 -1.93 -0.12 114.58 115.37 1wse h GLU 129 Ca 0.00 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1wse h GLU 129 Cb 0.54 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1wse h GLU 129 CO 0.00 0.86 0.15 -0.91 -1.40 0.00 0.00 179.01 177.70 1wse h ASN 130 N 0.68 0.68 -0.40 1.42 4.21 -1.59 0.33 115.58 120.92 1wse h ASN 130 Ca 0.11 -0.21 -0.12 0.00 1.21 0.00 0.00 56.30 57.30 1wse h ASN 130 Cb 0.61 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1wse h ASN 130 CO 0.04 0.71 -0.20 -0.08 -1.29 0.00 0.00 177.43 176.61 1wse h GLU 131 N 0.62 0.84 -0.48 0.81 4.81 -1.68 -1.60 114.58 117.91 1wse h GLU 131 Ca 0.15 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1wse h GLU 131 Cb 0.27 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1wse h GLU 131 CO -0.00 1.01 0.24 -0.09 -0.73 0.00 0.00 179.01 179.44 1wse h ARG 132 N 0.65 0.67 -0.33 1.92 9.65 -0.73 -0.48 114.38 125.73 1wse h ARG 132 Ca 0.09 -0.07 -0.12 0.00 -1.10 0.00 0.00 59.98 58.78 1wse h ARG 132 Cb 0.76 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1wse h ARG 132 CO 0.06 0.51 -0.29 0.00 2.80 0.00 0.00 179.97 183.05 1wse h ASP 134 N 0.59 0.95 0.11 0.00 3.58 -0.13 -0.55 116.42 120.97 1wse h ASP 134 Ca 0.07 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1wse h ASP 134 Cb 0.79 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1wse h ASP 134 CO 0.06 0.71 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.75 1wse h GLU 135 N 1.10 -0.14 -0.97 0.28 5.08 -0.94 -1.14 114.58 117.84 1wse h GLU 135 Ca 0.29 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1wse h GLU 135 Cb -0.08 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1wse h GLU 135 CO -0.06 -0.09 0.64 -0.07 -1.00 0.00 0.00 179.01 178.43 1wse h LEU 136 N -0.15 1.06 -0.49 1.33 3.38 -1.05 0.30 115.31 119.69 1wse h LEU 136 Ca -0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1wse h LEU 136 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1wse h LEU 136 CO 0.02 0.73 -0.02 0.00 0.09 0.00 0.00 178.44 179.26 1wse h ALA 137 N 1.40 0.66 -0.01 1.53 0.00 -0.84 -2.39 119.26 119.62 1wse h ALA 137 Ca 0.39 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1wse h ALA 137 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1wse h ALA 137 CO -0.12 0.48 -0.71 0.00 0.00 0.00 0.00 179.25 178.89 1wse h ARG 138 N 0.73 0.04 -0.34 0.00 3.08 -0.81 -2.55 114.38 114.53 1wse h ARG 138 Ca 0.14 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1wse h ARG 138 Cb 0.54 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1wse h ARG 138 CO 0.03 0.74 -0.31 0.00 -1.07 0.00 0.00 179.97 179.35 1wse h ALA 139 N 1.25 0.49 -0.48 0.04 0.00 -0.84 -2.55 119.26 117.17 1wse h ALA 139 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1wse h ALA 139 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wse h ALA 139 CO 0.10 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1wse h ALA 140 N 0.74 1.17 0.00 0.00 0.00 -1.43 -1.52 119.26 118.22 1wse h ALA 140 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wse h ALA 140 Cb 0.89 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1wse h ALA 140 CO 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1wse h ALA 141 N 1.32 1.02 0.00 0.00 0.00 -1.30 -0.91 119.26 119.39 1wse h ALA 141 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wse h ALA 141 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wse h ALA 141 CO 0.01 0.04 -0.42 -1.33 0.00 0.00 0.00 179.25 177.55 1wse n MET 142 N -3.17 0.26 -2.82 0.00 2.81 -0.62 -4.18 117.12 109.40 1wse n MET 142 Ca -0.00 0.11 -0.15 0.00 -1.81 0.00 0.00 57.70 55.85 1wse n MET 142 Cb 0.28 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.09 1.87 -4.68 7.83 4.05 -0.42 -5.10 115.26 116.71 1wse n ASN 143 Ca 0.04 -2.99 -0.42 0.00 0.45 0.00 0.00 54.58 51.66 1wse n ASN 143 Cb 0.43 -0.55 -0.03 0.00 1.23 0.00 0.00 39.78 40.86 1wse n ASN 143 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1wse n PRO 144 N -0.02 2.86 0.00 1.20 -0.04 -0.75 -4.63 135.00 133.61 1wse n PRO 144 Ca 0.19 1.04 0.00 0.00 -0.04 0.00 0.00 63.50 64.69 1wse n PRO 144 Cb 0.72 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1wse n PRO 144 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wse n THR 145 N 5.06 0.00 -4.47 0.52 -2.24 -0.90 -4.78 114.28 107.47 1wse n THR 145 Ca 0.19 -0.49 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1wse n THR 145 Cb 0.39 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.96 2.26 -0.04 3.22 1.43 -0.87 -5.02 118.68 118.71 1wse s LEU 146 Ca 0.00 -1.37 0.04 0.00 -1.03 0.00 0.00 54.13 51.77 1wse s LEU 146 Cb 0.00 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 1wse s LEU 146 CO 0.00 -0.59 -0.15 -0.70 0.23 0.00 0.00 176.35 175.15 1wse s GLU 147 N -3.87 2.46 -1.25 1.70 2.12 -1.26 -1.25 118.70 117.35 1wse s GLU 147 Ca 0.36 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 1wse s GLU 147 Cb 0.09 -2.36 0.17 0.00 0.26 0.00 0.00 34.13 32.29 1wse s GLU 147 CO 0.16 0.62 1.67 -3.47 -0.54 0.00 0.00 175.26 173.69 1wse n ASP 148 N 2.24 5.15 0.13 -1.70 4.64 -1.26 -4.82 116.55 120.93 1wse n ASP 148 Ca -0.17 -3.05 0.06 0.00 -1.38 0.00 0.00 54.79 50.25 1wse n ASP 148 Cb 0.52 -1.52 0.33 0.00 -1.04 0.00 0.00 41.12 39.41 1wse n ASP 148 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1wse n THR 149 N 3.95 0.84 0.88 5.18 -2.24 -1.26 -0.54 114.28 121.09 1wse n THR 149 Ca 0.38 0.69 0.11 0.00 -2.27 0.00 0.00 64.05 62.97 1wse n THR 149 Cb 0.39 -1.69 0.03 0.00 -2.10 0.00 0.00 70.33 66.96 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 -1.29 -1.12 3.58 3.38 0.00 -1.26 -4.84 105.19 103.63 1wse n GLY 150 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.06 1.79 -0.79 1.61 6.14 0.29 -4.86 117.35 118.48 1wse s TYR 151 Ca 0.08 0.70 -0.26 0.00 0.64 0.00 0.00 57.07 58.23 1wse s TYR 151 Cb 0.16 -4.12 -0.11 0.00 0.42 0.00 0.00 41.96 38.31 1wse s TYR 151 CO 0.80 -2.68 2.31 -1.14 0.64 0.00 0.00 175.55 175.48 1wse s GLN 152 N 6.07 1.84 0.41 4.97 2.00 -1.26 -4.88 119.66 128.81 1wse s GLN 152 Ca 0.75 0.40 -0.25 0.00 -2.00 0.00 0.00 55.36 54.26 1wse s GLN 152 Cb -0.19 -4.82 -0.10 0.00 0.80 0.00 0.00 33.01 28.70 1wse s GLN 152 CO 0.30 -4.13 1.17 1.33 -0.50 0.00 0.00 175.29 173.45 1wse n VAL 153 N 8.53 2.45 -4.53 1.34 0.24 -1.26 -5.03 118.33 120.07 1wse n VAL 153 Ca 0.44 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 1wse n VAL 153 Cb 0.45 -1.39 -0.09 0.00 -1.47 0.00 0.00 33.84 31.34 1wse n VAL 153 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1wse s GLU 154 N -2.08 1.91 0.00 7.34 -1.05 -1.26 -5.27 118.70 118.29 1wse s GLU 154 Ca 0.61 -2.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.28 1wse s GLU 154 Cb -0.54 -0.77 0.00 0.00 -0.44 0.00 0.00 34.13 32.38 1wse s GLU 154 CO 0.58 -0.41 0.00 0.28 0.95 0.00 0.00 175.26 176.66