#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k n SER 2 N 0.00 -6.22 -4.11 1.61 2.88 -1.26 -4.97 113.62 101.55 2d8k n SER 2 Ca 0.00 -0.55 -0.35 0.00 -1.33 0.00 0.00 58.87 56.64 2d8k n SER 2 Cb 0.00 -4.90 -0.13 0.00 -0.75 0.00 0.00 64.21 58.43 2d8k n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8k s SER 3 N -3.28 5.09 -0.22 -3.46 0.15 -1.26 -5.08 113.70 105.64 2d8k s SER 3 Ca 0.58 -1.89 -0.11 0.00 0.70 0.00 0.00 55.95 55.23 2d8k s SER 3 Cb -0.26 -1.77 -0.05 0.00 -1.71 0.00 0.00 66.02 62.23 2d8k s SER 3 CO 0.72 -0.45 0.18 -0.83 1.20 0.00 0.00 173.24 174.06 2d8k s GLY 4 N 1.54 2.03 -0.22 9.45 0.00 -1.26 -4.97 107.32 113.89 2d8k s GLY 4 Ca 0.06 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 2d8k s GLY 4 CO -0.04 0.35 -0.28 -1.26 0.00 0.00 0.00 173.10 171.86 2d8k n SER 5 N 3.99 1.56 -4.86 1.64 2.88 -1.26 -5.04 113.62 112.53 2d8k n SER 5 Ca -0.14 0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 57.45 2d8k n SER 5 Cb 0.52 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.30 2d8k n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8k s SER 6 N -6.95 5.16 -0.13 -3.46 0.15 -1.26 -5.13 113.70 102.08 2d8k s SER 6 Ca -0.31 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 55.70 2d8k s SER 6 Cb 0.12 -0.79 0.05 0.00 -1.71 0.00 0.00 66.02 63.69 2d8k s SER 6 CO 0.39 -0.48 0.05 -0.83 1.20 0.00 0.00 173.24 173.57 2d8k s GLY 7 N -4.05 0.41 -0.21 9.45 0.00 -1.26 -5.10 107.32 106.56 2d8k s GLY 7 Ca 0.44 -0.23 -0.39 0.00 0.00 0.00 0.00 44.72 44.53 2d8k s GLY 7 CO 0.27 1.47 1.68 1.44 0.00 0.00 0.00 173.10 177.96 2d8k n SER 8 N 5.21 2.28 -4.77 1.64 7.64 -1.26 -4.95 113.62 119.41 2d8k n SER 8 Ca -0.06 1.08 -0.25 0.00 1.01 0.00 0.00 58.87 60.64 2d8k n SER 8 Cb 0.49 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 2d8k n SER 8 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2d8k s ARG 9 N 3.02 2.79 -0.03 1.43 3.52 -1.26 -5.10 118.95 123.32 2d8k s ARG 9 Ca 0.96 -0.96 -0.12 0.00 -0.13 0.00 0.00 55.73 55.47 2d8k s ARG 9 Cb -1.04 -2.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2d8k s ARG 9 CO 0.62 0.46 0.27 -1.21 -0.81 0.00 0.00 175.30 174.63 2d8k s GLU 10 N -3.21 0.56 -0.13 5.12 2.02 -1.26 -5.04 118.70 116.76 2d8k s GLU 10 Ca 0.31 -0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 2d8k s GLU 10 Cb -0.09 0.25 -0.06 0.00 0.10 0.00 0.00 34.13 34.33 2d8k s GLU 10 CO 0.23 -0.14 2.76 0.09 0.02 0.00 0.00 175.26 178.21 2d8k n ASN 11 N 1.66 5.68 0.34 -0.19 3.02 -1.26 -4.52 115.26 120.00 2d8k n ASN 11 Ca -0.20 -2.68 0.20 0.00 -0.03 0.00 0.00 54.58 51.86 2d8k n ASN 11 Cb 0.56 -1.25 1.04 0.00 -0.61 0.00 0.00 39.78 39.53 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2d8k h LEU 12 N 3.85 0.00 0.00 3.41 3.38 -1.86 -3.42 115.31 120.66 2d8k h LEU 12 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2d8k h LEU 12 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2d8k h LEU 12 CO 0.36 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2d8k n GLY 13 N -1.14 2.00 3.43 0.83 0.00 -0.52 -4.37 105.19 105.41 2d8k n GLY 13 Ca -0.03 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 2d8k n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d8k s ARG 14 N -2.79 1.54 -0.05 1.61 1.70 -0.82 -0.73 118.95 119.40 2d8k s ARG 14 Ca 0.00 -1.58 0.05 0.00 -0.47 0.00 0.00 55.73 53.73 2d8k s ARG 14 Cb 0.00 -1.80 -0.01 0.00 -0.57 0.00 0.00 34.95 32.57 2d8k s ARG 14 CO 0.00 0.38 -0.21 -1.50 -1.08 0.00 0.00 175.30 172.88 2d8k s ILE 15 N -1.89 1.77 -0.24 4.99 2.07 -0.22 -2.71 121.20 124.97 2d8k s ILE 15 Ca 0.23 -0.90 -0.03 0.00 -1.41 0.00 0.00 60.65 58.53 2d8k s ILE 15 Cb -0.07 -1.51 0.01 0.00 0.13 0.00 0.00 42.46 41.02 2d8k s ILE 15 CO 0.11 0.50 -0.03 -1.58 -1.91 0.00 0.00 174.94 172.02 2d8k s GLN 16 N -0.02 3.15 0.02 3.50 0.74 -1.19 -3.03 119.66 122.83 2d8k s GLN 16 Ca -0.05 -0.78 0.02 0.00 0.05 0.00 0.00 55.36 54.60 2d8k s GLN 16 Cb -0.13 -3.04 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 2d8k s GLN 16 CO 0.03 -0.30 -0.06 -0.59 -0.55 0.00 0.00 175.29 173.82 2d8k s PHE 17 N 1.43 0.55 -0.14 1.67 -0.71 -1.16 -1.23 117.98 118.40 2d8k s PHE 17 Ca 0.04 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.57 2d8k s PHE 17 Cb -0.15 -0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2d8k s PHE 17 CO -0.03 -0.05 0.11 0.45 -1.34 0.00 0.00 175.22 174.36 2d8k s SER 18 N -0.83 6.09 -0.05 1.98 0.15 0.27 -2.30 113.70 119.01 2d8k s SER 18 Ca -0.04 0.34 0.06 0.00 0.70 0.00 0.00 55.95 57.01 2d8k s SER 18 Cb -0.06 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 2d8k s SER 18 CO 0.00 0.34 -0.24 -0.69 1.20 0.00 0.00 173.24 173.85 2d8k s VAL 19 N -0.62 1.96 -0.30 4.45 1.01 -0.89 -2.38 120.40 123.63 2d8k s VAL 19 Ca 0.12 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2d8k s VAL 19 Cb -0.12 -1.65 0.18 0.00 0.00 0.00 0.00 36.38 34.78 2d8k s VAL 19 CO 0.02 0.55 1.09 -0.83 0.00 0.00 0.00 175.10 175.93 2d8k s GLY 20 N -0.23 -0.01 0.05 4.51 0.00 -1.09 -2.19 107.32 108.36 2d8k s GLY 20 Ca -0.01 3.27 -0.07 0.00 0.00 0.00 0.00 44.72 47.91 2d8k s GLY 20 CO 0.03 3.25 0.32 -0.47 0.00 0.00 0.00 173.10 176.23 2d8k s TYR 21 N 2.25 3.56 0.01 1.90 6.14 -1.14 -1.48 117.35 128.60 2d8k s TYR 21 Ca -0.02 0.62 0.00 0.00 0.64 0.00 0.00 57.07 58.32 2d8k s TYR 21 Cb -0.04 -2.03 -0.04 0.00 0.42 0.00 0.00 41.96 40.27 2d8k s TYR 21 CO -0.17 0.56 0.07 -0.80 0.64 0.00 0.00 175.55 175.85 2d8k s ASN 22 N -1.84 5.57 0.00 4.32 -0.87 0.14 -4.52 114.94 117.75 2d8k s ASN 22 Ca 0.31 0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.70 2d8k s ASN 22 Cb -0.13 -1.56 0.00 0.00 -0.02 0.00 0.00 41.25 39.53 2d8k s ASN 22 CO 0.18 0.26 0.00 0.49 -2.57 0.00 0.00 177.10 175.46 2d8k n PHE 23 N 1.10 0.00 -0.28 2.20 3.72 -1.26 -1.35 117.46 121.59 2d8k n PHE 23 Ca -0.13 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.38 2d8k n PHE 23 Cb 0.52 -0.38 0.25 0.00 -0.94 0.00 0.00 39.48 38.94 2d8k n PHE 23 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2d8k h GLN 24 N 0.00 0.25 0.00 -1.08 4.20 -1.99 0.64 115.11 117.13 2d8k h GLN 24 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2d8k h GLN 24 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2d8k h GLN 24 CO 0.00 0.17 -0.17 0.93 -0.67 0.00 0.00 178.83 179.08 2d8k h GLU 25 N 0.26 0.00 -6.70 1.46 4.39 -2.00 -3.47 114.58 108.51 2d8k h GLU 25 Ca 0.50 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.66 2d8k h GLU 25 Cb 0.95 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.50 2d8k h GLU 25 CO -0.59 0.00 -0.93 0.43 -1.16 0.00 0.00 179.01 176.77 2d8k n SER 26 N -2.73 -0.36 -3.98 1.42 7.64 0.22 -4.96 113.62 110.88 2d8k n SER 26 Ca 0.04 -1.12 -0.09 0.00 1.01 0.00 0.00 58.87 58.71 2d8k n SER 26 Cb 0.50 -2.50 -0.11 0.00 -1.01 0.00 0.00 64.21 61.09 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2d8k s THR 27 N -4.06 0.12 -0.15 0.44 2.01 -1.10 -4.66 115.64 108.24 2d8k s THR 27 Ca 0.05 -0.98 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 2d8k s THR 27 Cb -0.02 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2d8k s THR 27 CO 0.93 -0.54 0.30 -0.22 -0.69 0.00 0.00 174.62 174.40 2d8k s LEU 28 N -1.60 4.26 -0.28 4.42 2.96 -1.23 -0.68 118.68 126.54 2d8k s LEU 28 Ca -0.14 0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 54.24 2d8k s LEU 28 Cb -0.08 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 2d8k s LEU 28 CO -0.02 0.12 0.08 -0.89 -1.32 0.00 0.00 176.35 174.32 2d8k s THR 29 N 0.33 4.13 -0.39 3.68 2.01 -0.55 -2.41 115.64 122.44 2d8k s THR 29 Ca 0.17 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.75 2d8k s THR 29 Cb -0.13 -3.04 0.11 0.00 0.01 0.00 0.00 72.50 69.45 2d8k s THR 29 CO 0.04 0.19 0.11 -0.69 -0.69 0.00 0.00 174.62 173.59 2d8k s VAL 30 N 1.55 2.29 -0.27 3.82 1.01 -1.22 -2.67 120.40 124.92 2d8k s VAL 30 Ca 0.04 -2.58 -0.12 0.00 0.00 0.00 0.00 61.98 59.33 2d8k s VAL 30 Cb -0.16 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2d8k s VAL 30 CO 0.03 -0.66 0.23 -0.75 0.00 0.00 0.00 175.10 173.95 2d8k s LYS 31 N 0.59 4.00 -0.89 2.72 2.20 -1.00 -3.05 119.74 124.32 2d8k s LYS 31 Ca 0.13 -0.21 -0.16 0.00 -0.36 0.00 0.00 55.97 55.37 2d8k s LYS 31 Cb -0.21 -3.63 0.18 0.00 -1.51 0.00 0.00 37.83 32.66 2d8k s LYS 31 CO -0.06 -0.14 0.96 0.42 -0.36 0.00 0.00 175.35 176.16 2d8k s ILE 32 N 1.65 5.22 0.00 5.43 -1.09 -1.20 -0.57 121.20 130.64 2d8k s ILE 32 Ca 0.09 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.40 2d8k s ILE 32 Cb -0.15 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 2d8k s ILE 32 CO 0.09 -1.26 0.57 0.23 -1.23 0.00 0.00 174.94 173.34 2d8k n MET 33 N 5.12 0.00 -3.91 2.79 2.81 -0.36 -0.28 117.12 123.28 2d8k n MET 33 Ca 0.19 0.57 0.02 0.00 -1.81 0.00 0.00 57.70 56.68 2d8k n MET 33 Cb 0.48 -0.98 0.01 0.00 -0.71 0.00 0.00 33.22 32.01 2d8k n MET 33 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2d8k s LYS 34 N -1.82 0.45 0.18 0.03 0.00 -1.24 -1.94 119.74 115.41 2d8k s LYS 34 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 55.97 55.77 2d8k s LYS 34 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.92 2d8k s LYS 34 CO 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 175.35 175.07 2d8k s ALA 35 N -2.11 3.03 -0.03 0.59 0.00 -1.08 -3.15 121.76 119.02 2d8k s ALA 35 Ca 0.26 -1.44 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 2d8k s ALA 35 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.32 2d8k s ALA 35 CO -0.01 0.47 0.19 -0.65 0.00 0.00 0.00 175.76 175.75 2d8k s GLN 36 N -2.88 0.43 -1.05 0.00 -1.52 -1.10 -4.34 119.66 109.21 2d8k s GLN 36 Ca 0.26 -0.14 -0.02 0.00 -1.95 0.00 0.00 55.36 53.50 2d8k s GLN 36 Cb -0.09 0.19 -0.03 0.00 -0.22 0.00 0.00 33.01 32.86 2d8k s GLN 36 CO 0.16 -0.10 0.89 0.39 -0.25 0.00 0.00 175.29 176.38 2d8k n GLU 37 N 1.92 -4.45 -3.93 2.91 1.02 -1.26 -1.95 120.64 114.90 2d8k n GLU 37 Ca -0.19 0.79 -0.35 0.00 -0.02 0.00 0.00 57.16 57.39 2d8k n GLU 37 Cb 0.57 -5.55 -0.09 0.00 -0.02 0.00 0.00 31.44 26.34 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d8k s LEU 38 N -5.67 3.93 0.67 -4.62 1.43 -1.26 -1.43 118.68 111.72 2d8k s LEU 38 Ca 0.17 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 2d8k s LEU 38 Cb -0.02 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2d8k s LEU 38 CO 0.67 0.18 1.11 -2.16 0.23 0.00 0.00 176.35 176.38 2d8k s PRO 39 N 0.33 2.76 -0.80 1.29 0.04 -1.26 -4.86 135.00 132.50 2d8k s PRO 39 Ca 0.05 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 2d8k s PRO 39 Cb -0.12 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.69 2d8k s PRO 39 CO -0.00 -1.28 0.73 0.00 0.04 0.00 0.00 177.00 176.48 2d8k s ALA 40 N -2.39 4.03 0.17 8.56 0.00 -1.26 -4.82 121.76 126.04 2d8k s ALA 40 Ca 0.66 -3.29 -0.23 0.00 0.00 0.00 0.00 51.96 49.10 2d8k s ALA 40 Cb -0.20 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.55 2d8k s ALA 40 CO 0.43 -2.25 1.59 0.87 0.00 0.00 0.00 175.76 176.40 2d8k h LYS 41 N 7.75 -0.24 -7.26 0.00 1.79 -1.93 -3.42 116.57 113.25 2d8k h LYS 41 Ca 0.08 0.02 -0.52 0.00 -2.18 0.00 0.00 60.65 58.05 2d8k h LYS 41 Cb 1.03 0.06 0.19 0.00 -1.58 0.00 0.00 32.23 31.93 2d8k h LYS 41 CO 0.76 -0.16 0.26 -0.51 -1.08 0.00 0.00 179.45 178.71 2d8k s ASP 42 N -5.08 3.21 0.04 0.86 1.11 -1.25 -4.96 116.67 110.60 2d8k s ASP 42 Ca -0.15 2.19 -0.16 0.00 0.18 0.00 0.00 52.55 54.62 2d8k s ASP 42 Cb 0.13 -2.57 -0.34 0.00 1.07 0.00 0.00 42.92 41.22 2d8k s ASP 42 CO 0.68 -2.91 1.03 0.15 1.18 0.00 0.00 175.17 175.30 2d8k h PHE 43 N -1.61 1.00 -0.77 4.23 3.57 -1.85 -3.33 116.94 118.18 2d8k h PHE 43 Ca -0.44 -0.70 0.23 0.00 3.53 0.00 0.00 57.97 60.59 2d8k h PHE 43 Cb 1.27 -0.05 -0.14 0.00 2.79 0.00 0.00 35.95 39.81 2d8k h PHE 43 CO 0.50 1.54 0.06 -1.13 -2.23 0.00 0.00 178.31 177.06 2d8k n SER 44 N -3.74 -0.05 0.00 0.41 3.41 -1.26 -4.73 113.62 107.66 2d8k n SER 44 Ca -0.16 1.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2d8k n SER 44 Cb 1.07 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2d8k n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 45 N -1.37 1.15 2.43 5.00 0.00 -1.25 -5.13 105.19 106.02 2d8k n GLY 45 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2d8k n GLY 45 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2d8k n THR 46 N 0.00 0.00 -3.85 2.61 5.66 -1.26 -4.69 114.28 112.76 2d8k n THR 46 Ca 0.00 -1.58 -0.07 0.00 -3.05 0.00 0.00 64.05 59.35 2d8k n THR 46 Cb 0.00 0.27 -0.01 0.00 -1.55 0.00 0.00 70.33 69.04 2d8k n THR 46 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2d8k s SER 47 N -2.88 -0.22 -0.89 1.09 0.01 -1.26 -3.79 113.70 105.76 2d8k s SER 47 Ca 0.02 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2d8k s SER 47 Cb -0.00 0.72 0.23 0.00 0.21 0.00 0.00 66.02 67.18 2d8k s SER 47 CO 0.01 -1.35 0.83 -0.90 0.41 0.00 0.00 173.24 172.24 2d8k n ASP 48 N -0.58 4.30 -4.74 2.44 5.68 -1.26 -2.57 116.55 119.82 2d8k n ASP 48 Ca -0.05 -3.18 -0.41 0.00 -0.50 0.00 0.00 54.79 50.65 2d8k n ASP 48 Cb 0.59 -1.03 -0.03 0.00 -1.14 0.00 0.00 41.12 39.51 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2d8k s PRO 49 N -1.58 4.39 -0.06 0.11 0.04 -1.24 -3.08 135.00 133.57 2d8k s PRO 49 Ca 0.29 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 2d8k s PRO 49 Cb -0.04 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.32 2d8k s PRO 49 CO -0.10 -0.26 0.15 -0.59 0.04 0.00 0.00 177.00 176.24 2d8k s PHE 50 N 0.17 -0.17 0.14 0.56 -0.71 -1.11 -3.81 117.98 113.05 2d8k s PHE 50 Ca 0.57 0.43 -0.13 0.00 -1.04 0.00 0.00 56.93 56.77 2d8k s PHE 50 Cb -0.36 0.02 -0.07 0.00 -1.21 0.00 0.00 43.02 41.41 2d8k s PHE 50 CO 0.38 -0.10 0.51 0.08 -1.34 0.00 0.00 175.22 174.74 2d8k s VAL 51 N 0.37 4.93 -0.12 -2.49 1.01 -1.26 -2.77 120.40 120.06 2d8k s VAL 51 Ca -0.02 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2d8k s VAL 51 Cb -0.04 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2d8k s VAL 51 CO -0.02 0.22 -0.10 -0.54 0.00 0.00 0.00 175.10 174.66 2d8k s LYS 52 N -2.03 1.80 -0.04 2.72 1.02 0.89 -1.58 119.74 122.51 2d8k s LYS 52 Ca 0.38 -0.37 -0.13 0.00 0.02 0.00 0.00 55.97 55.86 2d8k s LYS 52 Cb -0.14 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 2d8k s LYS 52 CO 0.19 -0.23 0.35 0.42 -0.92 0.00 0.00 175.35 175.17 2d8k s ILE 53 N 1.53 5.14 -0.10 2.17 1.01 0.30 -1.86 121.20 129.39 2d8k s ILE 53 Ca 0.03 0.71 -0.04 0.00 0.00 0.00 0.00 60.65 61.35 2d8k s ILE 53 Cb -0.13 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.74 2d8k s ILE 53 CO -0.08 0.56 0.18 -0.31 0.00 0.00 0.00 174.94 175.29 2d8k s TYR 54 N -0.87 -0.22 -1.03 3.97 1.51 -0.61 -1.71 117.35 118.39 2d8k s TYR 54 Ca 0.22 0.63 -0.17 0.00 -1.01 0.00 0.00 57.07 56.73 2d8k s TYR 54 Cb -0.15 -0.24 0.14 0.00 -0.11 0.00 0.00 41.96 41.60 2d8k s TYR 54 CO 0.11 -0.32 1.24 -0.51 -1.11 0.00 0.00 175.55 174.96 2d8k s LEU 55 N 2.32 5.04 0.54 -1.29 1.43 -1.26 -1.89 118.68 123.57 2d8k s LEU 55 Ca 0.03 -2.39 -0.19 0.00 -1.03 0.00 0.00 54.13 50.56 2d8k s LEU 55 Cb -0.12 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 2d8k s LEU 55 CO -0.07 -0.95 1.09 -0.76 0.23 0.00 0.00 176.35 175.89 2d8k s LEU 56 N 2.30 3.71 0.23 1.79 1.43 -1.14 -1.77 118.68 125.23 2d8k s LEU 56 Ca 0.36 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 2d8k s LEU 56 Cb -0.04 -4.56 0.25 0.00 0.03 0.00 0.00 46.19 41.87 2d8k s LEU 56 CO -0.06 -1.11 1.60 1.55 0.23 0.00 0.00 176.35 178.56 2d8k h PRO 57 N 1.09 0.47 -4.13 1.29 0.13 -1.90 -2.64 132.00 126.31 2d8k h PRO 57 Ca -0.49 -0.25 -0.56 0.00 -0.87 0.00 0.00 66.00 63.83 2d8k h PRO 57 Cb 1.24 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.41 2d8k h PRO 57 CO 0.57 0.82 0.18 -3.47 -0.23 0.00 0.00 178.00 175.88 2d8k n ASP 58 N -4.01 0.27 -0.00 1.44 -0.08 -0.73 -4.85 116.55 108.59 2d8k n ASP 58 Ca -0.02 0.81 -0.01 0.00 -1.51 0.00 0.00 54.79 54.06 2d8k n ASP 58 Cb 0.53 -0.62 -0.00 0.00 2.34 0.00 0.00 41.12 43.36 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2d8k n LYS 59 N 1.60 0.58 -0.37 -0.67 4.76 -1.26 -3.98 118.16 118.83 2d8k n LYS 59 Ca 0.16 0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.53 2d8k n LYS 59 Cb 0.02 -1.02 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 2d8k n LYS 59 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2d8k h LYS 60 N 0.00 -0.05 -5.64 1.97 1.79 -1.94 -3.28 116.57 109.42 2d8k h LYS 60 Ca -0.02 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.82 2d8k h LYS 60 Cb 1.04 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.56 2d8k h LYS 60 CO -0.00 -0.03 0.47 -1.58 -1.08 0.00 0.00 179.45 177.22 2d8k s HIS 61 N -5.68 2.82 0.13 -1.35 2.46 -1.26 -5.02 115.29 107.39 2d8k s HIS 61 Ca -0.13 -0.19 0.07 0.00 0.47 0.00 0.00 55.06 55.28 2d8k s HIS 61 Cb 0.14 -4.01 -0.04 0.00 -0.13 0.00 0.00 32.58 28.54 2d8k s HIS 61 CO 0.65 -1.34 -0.17 -1.59 -2.47 0.00 0.00 174.74 169.82 2d8k s LYS 62 N 3.73 1.10 0.16 2.88 0.00 -1.24 -4.42 119.74 121.95 2d8k s LYS 62 Ca 0.26 -1.25 0.09 0.00 0.00 0.00 0.00 55.97 55.08 2d8k s LYS 62 Cb -0.14 -1.14 -0.04 0.00 0.00 0.00 0.00 37.83 36.51 2d8k s LYS 62 CO 0.17 0.24 -0.20 -1.17 0.00 0.00 0.00 175.35 174.38 2d8k s LEU 63 N -2.33 2.41 0.02 2.77 2.96 -0.69 -5.03 118.68 118.78 2d8k s LEU 63 Ca 0.09 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 53.03 2d8k s LEU 63 Cb -0.07 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.73 2d8k s LEU 63 CO 0.04 0.02 0.32 -0.70 -1.32 0.00 0.00 176.35 174.71 2d8k s GLU 64 N -2.58 0.76 0.24 1.98 -6.30 -1.26 0.11 118.70 111.64 2d8k s GLU 64 Ca 0.15 -0.36 -0.01 0.00 -2.50 0.00 0.00 54.97 52.25 2d8k s GLU 64 Cb -0.07 0.33 -0.04 0.00 0.00 0.00 0.00 34.13 34.35 2d8k s GLU 64 CO 0.07 -0.23 0.43 0.95 0.02 0.00 0.00 175.26 176.50 2d8k s THR 65 N -2.03 5.17 1.05 -1.70 -4.23 -0.62 -4.96 115.64 108.33 2d8k s THR 65 Ca -0.09 -0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 59.83 2d8k s THR 65 Cb -0.03 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 2d8k s THR 65 CO 0.00 -0.26 -0.70 0.29 -0.54 0.00 0.00 174.62 173.41 2d8k n LYS 66 N -0.91 -0.90 -3.90 3.99 4.76 -1.26 -4.53 118.16 115.41 2d8k n LYS 66 Ca -0.05 -0.25 -0.34 0.00 -2.87 0.00 0.00 58.31 54.80 2d8k n LYS 66 Cb 0.54 -1.36 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 2d8k n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2d8k s VAL 67 N -2.12 2.88 -0.38 -0.18 1.01 -1.26 -4.59 120.40 115.77 2d8k s VAL 67 Ca 0.45 -1.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.40 2d8k s VAL 67 Cb -0.01 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2d8k s VAL 67 CO 0.64 -0.35 1.01 -0.54 0.00 0.00 0.00 175.10 175.86 2d8k s LYS 68 N 1.15 3.88 0.14 2.72 -0.14 -1.25 -5.02 119.74 121.23 2d8k s LYS 68 Ca 0.01 0.72 -0.16 0.00 -1.36 0.00 0.00 55.97 55.18 2d8k s LYS 68 Cb -0.21 -3.80 -0.07 0.00 -1.68 0.00 0.00 37.83 32.07 2d8k s LYS 68 CO -0.03 -1.02 0.58 1.03 -0.76 0.00 0.00 175.35 175.14 2d8k s ARG 69 N 3.72 4.06 -1.09 1.68 1.81 -1.26 -3.66 118.95 124.21 2d8k s ARG 69 Ca 0.42 0.60 -0.07 0.00 -1.72 0.00 0.00 55.73 54.96 2d8k s ARG 69 Cb -0.11 -2.98 0.01 0.00 -0.45 0.00 0.00 34.95 31.41 2d8k s ARG 69 CO 0.20 0.50 0.95 1.63 -0.68 0.00 0.00 175.30 177.90 2d8k n LYS 70 N 0.97 -6.37 -3.40 3.54 4.76 -1.21 -4.99 118.16 111.46 2d8k n LYS 70 Ca -0.06 0.67 -0.01 0.00 -2.87 0.00 0.00 58.31 56.04 2d8k n LYS 70 Cb 0.51 -5.22 -0.04 0.00 -1.84 0.00 0.00 35.03 28.44 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2d8k s ASN 71 N -3.30 -0.91 -0.02 4.39 3.04 -1.06 -4.92 114.94 112.16 2d8k s ASN 71 Ca 0.45 1.00 0.05 0.00 0.04 0.00 0.00 52.86 54.40 2d8k s ASN 71 Cb -0.20 1.94 -0.24 0.00 -1.54 0.00 0.00 41.25 41.20 2d8k s ASN 71 CO 0.59 -0.25 0.74 -0.07 -3.04 0.00 0.00 177.10 175.07 2d8k h LEU 72 N 8.05 0.16 -4.64 3.21 3.38 -1.90 -3.36 115.31 120.22 2d8k h LEU 72 Ca -0.20 -0.29 -0.61 0.00 0.09 0.00 0.00 57.88 56.87 2d8k h LEU 72 Cb 1.13 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 41.43 2d8k h LEU 72 CO 0.20 1.25 -0.52 0.59 0.09 0.00 0.00 178.44 180.05 2d8k n ASN 73 N -3.26 5.02 -4.70 -0.43 3.02 -1.26 -4.33 115.26 109.32 2d8k n ASN 73 Ca -0.17 -3.73 -0.29 0.00 -0.03 0.00 0.00 54.58 50.36 2d8k n ASN 73 Cb 1.03 -0.54 0.15 0.00 -0.61 0.00 0.00 39.78 39.82 2d8k n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d8k s PRO 74 N -3.60 0.98 -0.19 3.52 0.04 -1.26 -4.73 135.00 129.76 2d8k s PRO 74 Ca 0.48 0.72 0.01 0.00 0.04 0.00 0.00 61.00 62.25 2d8k s PRO 74 Cb 0.39 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 33.19 2d8k s PRO 74 CO -0.21 -2.41 -0.12 -3.38 0.04 0.00 0.00 177.00 170.92 2d8k s HIS 75 N -2.94 2.51 -0.14 0.56 -3.43 -1.26 -2.64 115.29 107.96 2d8k s HIS 75 Ca 0.64 -1.61 -0.08 0.00 -0.80 0.00 0.00 55.06 53.21 2d8k s HIS 75 Cb -0.18 -1.70 -0.04 0.00 -1.43 0.00 0.00 32.58 29.23 2d8k s HIS 75 CO 0.57 -0.75 -0.10 -1.49 -2.00 0.00 0.00 174.74 170.97 2d8k h TRP 76 N 7.96 0.00 -5.22 0.38 6.55 -1.67 -3.48 115.95 120.47 2d8k h TRP 76 Ca -0.31 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 59.14 2d8k h TRP 76 Cb 1.10 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.36 2d8k h TRP 76 CO 0.51 0.10 -0.57 0.09 -1.05 0.00 0.00 178.44 177.52 2d8k n ASN 77 N -4.64 -4.29 -4.75 -3.49 3.02 0.61 -4.93 115.26 96.79 2d8k n ASN 77 Ca -0.07 -0.36 -0.38 0.00 -0.03 0.00 0.00 54.58 53.73 2d8k n ASN 77 Cb 0.23 -3.52 -0.06 0.00 -0.61 0.00 0.00 39.78 35.82 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2d8k s GLU 78 N -5.94 4.29 -0.47 3.52 2.02 -1.26 -4.85 118.70 116.01 2d8k s GLU 78 Ca 0.38 0.56 -0.17 0.00 0.02 0.00 0.00 54.97 55.76 2d8k s GLU 78 Cb -0.19 -3.38 0.06 0.00 0.10 0.00 0.00 34.13 30.71 2d8k s GLU 78 CO 0.46 0.28 0.48 0.99 0.02 0.00 0.00 175.26 177.49 2d8k s THR 79 N 0.19 5.08 0.55 3.63 2.01 -1.26 -3.24 115.64 122.60 2d8k s THR 79 Ca 0.28 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 2d8k s THR 79 Cb -0.16 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.19 2d8k s THR 79 CO 0.13 -0.63 0.82 -0.36 -0.69 0.00 0.00 174.62 173.89 2d8k s PHE 80 N 2.09 3.11 -0.11 4.92 0.40 -1.17 -4.95 117.98 122.27 2d8k s PHE 80 Ca 0.09 0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.72 2d8k s PHE 80 Cb -0.21 -2.67 0.05 0.00 0.51 0.00 0.00 43.02 40.70 2d8k s PHE 80 CO 0.10 -0.77 0.22 -0.51 0.70 0.00 0.00 175.22 174.95 2d8k s LEU 81 N -4.84 -0.08 -0.53 -0.37 1.43 -1.26 -3.39 118.68 109.64 2d8k s LEU 81 Ca 0.54 0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 2d8k s LEU 81 Cb -0.10 0.54 0.12 0.00 0.03 0.00 0.00 46.19 46.78 2d8k s LEU 81 CO 0.41 -0.23 0.48 -0.36 0.23 0.00 0.00 176.35 176.89 2d8k s PHE 82 N 2.17 3.26 -0.01 0.29 0.08 -1.01 -4.94 117.98 117.81 2d8k s PHE 82 Ca 0.00 -1.28 -0.12 0.00 0.12 0.00 0.00 56.93 55.65 2d8k s PHE 82 Cb -0.12 -3.72 -0.05 0.00 -0.57 0.00 0.00 43.02 38.56 2d8k s PHE 82 CO -0.07 -1.00 0.36 -1.21 -0.10 0.00 0.00 175.22 173.20 2d8k s GLU 83 N 1.59 3.80 0.00 0.44 2.02 -1.26 -3.52 118.70 121.77 2d8k s GLU 83 Ca 0.03 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.29 2d8k s GLU 83 Cb -0.29 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2d8k s GLU 83 CO 0.03 0.69 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2d8k n GLY 84 N 1.68 1.72 2.83 -1.39 0.00 -1.26 -5.09 105.19 103.67 2d8k n GLY 84 Ca -0.14 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2d8k n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8k s PHE 85 N -2.01 -0.57 0.39 1.61 0.40 -1.26 -5.11 117.98 111.43 2d8k s PHE 85 Ca 0.00 0.42 -0.26 0.00 -0.60 0.00 0.00 56.93 56.50 2d8k s PHE 85 Cb 0.00 -0.21 -0.09 0.00 0.51 0.00 0.00 43.02 43.24 2d8k s PHE 85 CO 0.00 -0.72 1.19 -1.25 0.70 0.00 0.00 175.22 175.14 2d8k s PRO 86 N 2.43 4.07 0.26 0.24 0.04 -1.26 -4.67 135.00 136.12 2d8k s PRO 86 Ca 0.10 1.90 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2d8k s PRO 86 Cb -0.15 -2.72 0.52 0.00 0.04 0.00 0.00 34.50 32.19 2d8k s PRO 86 CO -0.18 -0.32 1.67 -0.92 0.04 0.00 0.00 177.00 177.29 2d8k h TYR 87 N 2.72 0.25 -0.61 0.56 5.03 -1.93 0.74 116.97 123.72 2d8k h TYR 87 Ca -0.49 0.05 0.18 0.00 2.58 0.00 0.00 58.73 61.05 2d8k h TYR 87 Cb 1.24 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.50 2d8k h TYR 87 CO 0.55 -0.14 0.53 1.05 -1.32 0.00 0.00 178.16 178.83 2d8k h GLU 88 N 0.23 0.00 0.00 1.82 4.11 -2.02 -2.25 114.58 116.48 2d8k h GLU 88 Ca 0.45 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.83 2d8k h GLU 88 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2d8k h GLU 88 CO -0.57 0.00 -1.03 1.63 0.07 0.00 0.00 179.01 179.10 2d8k n LYS 89 N -3.98 0.52 -0.33 1.06 5.02 0.22 -4.31 118.16 116.35 2d8k n LYS 89 Ca 0.12 0.31 0.29 0.00 -2.02 0.00 0.00 58.31 57.01 2d8k n LYS 89 Cb 0.76 -1.52 0.49 0.00 -0.02 0.00 0.00 35.03 34.75 2d8k n LYS 89 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2d8k n VAL 90 N -4.48 -0.22 -0.07 -0.18 3.14 0.11 0.22 118.33 116.84 2d8k n VAL 90 Ca -0.17 1.40 -0.10 0.00 -2.96 0.00 0.00 64.34 62.51 2d8k n VAL 90 Cb 0.50 -2.30 -0.03 0.00 -1.06 0.00 0.00 33.84 30.95 2d8k n VAL 90 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2d8k h VAL 91 N 0.00 1.16 0.00 1.55 -1.51 -1.62 -2.04 116.25 113.80 2d8k h VAL 91 Ca 0.66 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 2d8k h VAL 91 Cb 2.02 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2d8k h VAL 91 CO -0.41 0.16 0.02 1.56 -1.23 0.00 0.00 177.57 177.67 2d8k h GLN 92 N 0.26 0.00 -6.79 5.19 4.20 0.25 -3.26 115.11 114.95 2d8k h GLN 92 Ca 0.08 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.30 2d8k h GLN 92 Cb 0.16 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.96 2d8k h GLN 92 CO -0.01 0.00 0.02 1.03 -0.67 0.00 0.00 178.83 179.20 2d8k s ARG 93 N -4.03 3.57 -0.04 1.46 1.81 -0.77 -4.87 118.95 116.08 2d8k s ARG 93 Ca -0.04 0.10 0.06 0.00 -1.72 0.00 0.00 55.73 54.13 2d8k s ARG 93 Cb 0.11 -2.46 -0.02 0.00 -0.45 0.00 0.00 34.95 32.13 2d8k s ARG 93 CO 0.36 -0.07 -0.21 0.42 -0.68 0.00 0.00 175.30 175.12 2d8k s ILE 94 N -2.54 2.43 -0.35 1.52 1.01 -1.00 -3.00 121.20 119.27 2d8k s ILE 94 Ca 0.46 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 2d8k s ILE 94 Cb -0.10 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.49 2d8k s ILE 94 CO 0.40 0.58 0.98 -0.22 0.00 0.00 0.00 174.94 176.68 2d8k s LEU 95 N -0.53 3.96 -0.14 2.97 2.96 0.12 -2.90 118.68 125.11 2d8k s LEU 95 Ca 0.07 0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 2d8k s LEU 95 Cb -0.11 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 2d8k s LEU 95 CO 0.01 -0.87 -0.00 -0.47 -1.32 0.00 0.00 176.35 173.70 2d8k s TYR 96 N 3.55 3.12 -0.10 5.38 5.04 -0.79 -2.08 117.35 131.47 2d8k s TYR 96 Ca 0.41 -0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2d8k s TYR 96 Cb -0.12 -1.94 0.03 0.00 0.35 0.00 0.00 41.96 40.28 2d8k s TYR 96 CO 0.18 0.15 -0.02 -0.51 -1.34 0.00 0.00 175.55 174.01 2d8k s LEU 97 N 0.03 0.85 -0.00 6.97 1.43 -0.38 -1.57 118.68 126.00 2d8k s LEU 97 Ca 0.02 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2d8k s LEU 97 Cb -0.13 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2d8k s LEU 97 CO 0.02 -0.18 -0.16 -1.58 0.23 0.00 0.00 176.35 174.68 2d8k s GLN 98 N 1.87 1.29 -0.15 1.70 0.74 -0.78 0.64 119.66 124.97 2d8k s GLN 98 Ca 0.04 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.85 2d8k s GLN 98 Cb -0.13 -1.26 0.01 0.00 1.10 0.00 0.00 33.01 32.73 2d8k s GLN 98 CO -0.06 0.34 -0.21 0.08 -0.55 0.00 0.00 175.29 174.89 2d8k s VAL 99 N -0.45 2.00 0.34 1.34 1.01 0.19 -0.07 120.40 124.75 2d8k s VAL 99 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2d8k s VAL 99 Cb -0.07 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2d8k s VAL 99 CO -0.00 0.54 0.10 -0.76 0.00 0.00 0.00 175.10 174.97 2d8k s LEU 100 N 1.02 1.96 -0.35 3.92 1.02 -1.12 -0.69 118.68 124.45 2d8k s LEU 100 Ca -0.02 -1.50 -0.10 0.00 0.02 0.00 0.00 54.13 52.53 2d8k s LEU 100 Cb -0.14 -0.15 0.02 0.00 0.02 0.00 0.00 46.19 45.93 2d8k s LEU 100 CO -0.06 -0.77 0.17 -0.62 0.02 0.00 0.00 176.35 175.09 2d8k s ASP 101 N -3.48 5.58 -0.37 2.29 2.15 -0.96 -2.77 116.67 119.11 2d8k s ASP 101 Ca 0.32 -0.89 -0.27 0.00 0.43 0.00 0.00 52.55 52.14 2d8k s ASP 101 Cb 0.06 -1.98 -0.05 0.00 -0.30 0.00 0.00 42.92 40.64 2d8k s ASP 101 CO 0.15 -0.32 2.25 -0.47 -0.17 0.00 0.00 175.17 176.61 2d8k s TYR 102 N 1.54 1.21 0.02 -5.34 5.04 -1.18 -3.59 117.35 115.05 2d8k s TYR 102 Ca 0.02 1.01 0.06 0.00 -2.44 0.00 0.00 57.07 55.73 2d8k s TYR 102 Cb -0.19 -3.80 -0.02 0.00 0.35 0.00 0.00 41.96 38.30 2d8k s TYR 102 CO 0.06 -3.21 -0.19 0.34 -1.34 0.00 0.00 175.55 171.21 2d8k s ASP 103 N 9.81 2.29 1.15 4.32 -1.08 -1.26 -4.79 116.67 127.10 2d8k s ASP 103 Ca 0.95 -0.43 -0.13 0.00 -0.52 0.00 0.00 52.55 52.43 2d8k s ASP 103 Cb -0.24 -0.22 0.27 0.00 -1.46 0.00 0.00 42.92 41.28 2d8k s ASP 103 CO 0.30 0.19 1.04 -0.13 0.52 0.00 0.00 175.17 177.08 2d8k s ARG 104 N -0.82 -0.79 -1.57 4.34 0.52 -1.26 -2.53 118.95 116.83 2d8k s ARG 104 Ca 0.07 0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 55.98 2d8k s ARG 104 Cb -0.08 -1.58 0.01 0.00 0.52 0.00 0.00 34.95 33.82 2d8k s ARG 104 CO 0.01 -3.61 0.39 1.19 0.02 0.00 0.00 175.30 173.29 2d8k n PHE 105 N -4.82 -1.65 -3.97 -0.53 3.01 -1.26 -1.94 117.46 106.31 2d8k n PHE 105 Ca 0.03 0.34 -0.28 0.00 1.01 0.00 0.00 57.45 58.54 2d8k n PHE 105 Cb 0.55 -4.12 -0.00 0.00 -0.01 0.00 0.00 39.48 35.90 2d8k n PHE 105 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2d8k n SER 106 N -2.32 -2.19 -2.26 4.37 7.64 -1.24 -4.86 113.62 112.77 2d8k n SER 106 Ca -0.15 -0.92 -0.31 0.00 1.01 0.00 0.00 58.87 58.50 2d8k n SER 106 Cb 0.63 -3.34 0.11 0.00 -1.01 0.00 0.00 64.21 60.60 2d8k n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2d8k n ARG 107 N -4.44 2.60 -2.17 1.43 1.74 -0.82 -4.97 116.66 110.03 2d8k n ARG 107 Ca -0.14 -3.26 -0.43 0.00 -0.77 0.00 0.00 57.85 53.26 2d8k n ARG 107 Cb 0.60 -2.25 -0.02 0.00 -1.02 0.00 0.00 32.46 29.77 2d8k n ARG 107 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d8k s ASN 108 N -1.80 6.29 -0.32 0.55 2.20 -1.26 -4.38 114.94 116.23 2d8k s ASN 108 Ca 0.62 1.34 -0.11 0.00 -0.94 0.00 0.00 52.86 53.77 2d8k s ASN 108 Cb 0.49 -2.53 -0.02 0.00 -2.00 0.00 0.00 41.25 37.19 2d8k s ASN 108 CO 0.02 -1.37 0.20 -1.81 -2.94 0.00 0.00 177.10 171.20 2d8k s ASP 109 N 4.42 5.86 -0.22 3.54 1.11 -1.24 -4.89 116.67 125.26 2d8k s ASP 109 Ca 0.70 -0.41 -0.29 0.00 0.18 0.00 0.00 52.55 52.73 2d8k s ASP 109 Cb -0.21 -2.08 -0.03 0.00 1.07 0.00 0.00 42.92 41.67 2d8k s ASP 109 CO 0.30 -0.20 1.61 -2.16 1.18 0.00 0.00 175.17 175.91 2d8k s PRO 110 N 1.69 3.79 -0.10 8.23 0.04 -1.26 -2.26 135.00 145.12 2d8k s PRO 110 Ca 0.06 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 2d8k s PRO 110 Cb -0.17 -4.04 -0.22 0.00 0.04 0.00 0.00 34.50 30.11 2d8k s PRO 110 CO 0.09 -1.30 0.86 0.82 0.04 0.00 0.00 177.00 177.51 2d8k h ILE 111 N 6.15 1.52 -2.03 0.56 2.04 -1.26 -3.40 117.51 121.08 2d8k h ILE 111 Ca -0.34 -1.88 0.17 0.00 1.00 0.00 0.00 64.86 63.81 2d8k h ILE 111 Cb 1.15 2.75 -0.15 0.00 -0.74 0.00 0.00 36.82 39.83 2d8k h ILE 111 CO 1.00 0.47 0.59 -0.83 0.00 0.00 0.00 178.15 179.38 2d8k s GLY 112 N -3.85 -0.39 0.26 5.37 0.00 -1.12 -3.98 107.32 103.61 2d8k s GLY 112 Ca -0.17 1.03 0.01 0.00 0.00 0.00 0.00 44.72 45.60 2d8k s GLY 112 CO 0.63 0.33 0.14 -1.83 0.00 0.00 0.00 173.10 172.37 2d8k s GLU 113 N -2.92 1.42 -0.14 2.90 4.04 -0.75 -0.64 118.70 122.61 2d8k s GLU 113 Ca 0.08 -1.78 -0.10 0.00 0.04 0.00 0.00 54.97 53.21 2d8k s GLU 113 Cb -0.01 0.00 0.04 0.00 0.02 0.00 0.00 34.13 34.19 2d8k s GLU 113 CO -0.06 -0.40 0.34 0.08 -1.84 0.00 0.00 175.26 173.38 2d8k s VAL 114 N -3.82 -0.01 -0.11 1.83 1.01 0.21 -1.50 120.40 118.00 2d8k s VAL 114 Ca 0.38 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2d8k s VAL 114 Cb 0.06 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2d8k s VAL 114 CO 0.15 0.02 -0.22 -0.94 0.00 0.00 0.00 175.10 174.12 2d8k s SER 115 N 0.72 2.94 -0.16 3.32 1.04 -1.26 -1.25 113.70 119.05 2d8k s SER 115 Ca -0.04 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.78 2d8k s SER 115 Cb -0.06 -1.35 0.07 0.00 0.10 0.00 0.00 66.02 64.79 2d8k s SER 115 CO -0.05 0.11 0.34 -0.63 0.98 0.00 0.00 173.24 174.00 2d8k s ILE 116 N 0.56 -0.45 0.10 -1.02 1.01 -0.88 -5.03 121.20 115.48 2d8k s ILE 116 Ca -0.14 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 2d8k s ILE 116 Cb -0.17 -0.55 -0.07 0.00 0.01 0.00 0.00 42.46 41.68 2d8k s ILE 116 CO 0.04 0.09 1.37 -2.16 0.00 0.00 0.00 174.94 174.28 2d8k s PRO 117 N 2.33 4.33 0.00 2.79 0.04 -1.26 -0.70 135.00 142.52 2d8k s PRO 117 Ca -0.02 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.16 2d8k s PRO 117 Cb -0.12 -3.29 0.47 0.00 0.04 0.00 0.00 34.50 31.60 2d8k s PRO 117 CO -0.11 -0.43 1.29 1.28 0.04 0.00 0.00 177.00 179.07 2d8k n LEU 118 N 4.10 0.00 0.17 -3.56 4.77 -1.16 -1.71 117.00 119.60 2d8k n LEU 118 Ca 0.11 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 2d8k n LEU 118 Cb 0.43 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2d8k n LEU 118 CO 0.58 -0.28 0.60 -1.13 -1.33 0.00 0.00 177.39 175.83 2d8k h ASN 119 N 0.00 0.00 0.09 -1.43 -0.73 -1.79 -3.32 115.58 108.41 2d8k h ASN 119 Ca 0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 2d8k h ASN 119 Cb 0.15 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.74 2d8k h ASN 119 CO 0.00 0.33 -0.69 0.11 -0.37 0.00 0.00 177.43 176.81 2d8k h LYS 120 N 0.00 0.19 -6.95 6.67 1.79 -1.69 -3.46 116.57 113.12 2d8k h LYS 120 Ca -0.00 -0.32 -0.53 0.00 -2.18 0.00 0.00 60.65 57.61 2d8k h LYS 120 Cb 1.24 0.12 0.09 0.00 -1.58 0.00 0.00 32.23 32.10 2d8k h LYS 120 CO 0.04 1.15 0.64 0.54 -1.08 0.00 0.00 179.45 180.75 2d8k s VAL 121 N -2.37 2.50 -1.36 0.50 0.11 -1.23 -4.90 120.40 113.64 2d8k s VAL 121 Ca -0.17 0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 59.18 2d8k s VAL 121 Cb 0.01 -3.27 0.07 0.00 -1.53 0.00 0.00 36.38 31.66 2d8k s VAL 121 CO 0.77 0.07 1.94 0.47 -3.33 0.00 0.00 175.10 175.01 2d8k n ASP 122 N 0.13 4.51 -0.37 3.54 8.00 -1.26 -4.79 116.55 126.32 2d8k n ASP 122 Ca 0.04 -2.90 0.30 0.00 0.71 0.00 0.00 54.79 52.93 2d8k n ASP 122 Cb 0.43 -1.69 0.56 0.00 -0.02 0.00 0.00 41.12 40.40 2d8k n ASP 122 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d8k h LEU 123 N 11.10 0.38 -1.62 0.64 4.07 -1.86 0.16 115.31 128.18 2d8k h LEU 123 Ca 0.49 0.18 0.47 0.00 0.08 0.00 0.00 57.88 59.10 2d8k h LEU 123 Cb 0.76 0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.59 2d8k h LEU 123 CO 1.64 -0.19 1.20 0.35 -1.08 0.00 0.00 178.44 180.36 2d8k n THR 124 N -4.94 0.00 -3.95 0.22 -2.24 -1.26 -2.88 114.28 99.22 2d8k n THR 124 Ca 0.34 1.25 -0.09 0.00 -2.27 0.00 0.00 64.05 63.28 2d8k n THR 124 Cb 1.18 -2.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.24 2d8k n THR 124 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2d8k s GLN 125 N -4.53 1.02 -0.01 -0.78 -0.21 0.57 -4.95 119.66 110.77 2d8k s GLN 125 Ca -0.04 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 2d8k s GLN 125 Cb 0.22 0.35 -0.03 0.00 1.00 0.00 0.00 33.01 34.54 2d8k s GLN 125 CO 0.73 -0.35 1.05 1.41 -2.12 0.00 0.00 175.29 176.01 2d8k s MET 126 N -3.94 4.49 -0.03 2.91 -2.45 -1.26 -4.52 119.30 114.50 2d8k s MET 126 Ca 0.14 1.51 -0.00 0.00 -1.25 0.00 0.00 55.69 56.09 2d8k s MET 126 Cb 0.04 -3.46 0.03 0.00 1.25 0.00 0.00 34.83 32.69 2d8k s MET 126 CO -0.04 -0.18 0.03 -0.65 1.05 0.00 0.00 175.02 175.24 2d8k s GLN 127 N 1.32 0.01 0.66 4.11 -1.52 -0.93 -4.97 119.66 118.34 2d8k s GLN 127 Ca 0.53 0.20 -0.10 0.00 -1.95 0.00 0.00 55.36 54.04 2d8k s GLN 127 Cb -0.23 -0.33 -0.00 0.00 -0.22 0.00 0.00 33.01 32.23 2d8k s GLN 127 CO 0.26 -0.19 1.04 0.99 -0.25 0.00 0.00 175.29 177.14 2d8k s THR 128 N 1.26 3.87 -0.12 -0.19 2.01 -1.26 -2.10 115.64 119.10 2d8k s THR 128 Ca -0.07 0.50 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 2d8k s THR 128 Cb -0.13 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2d8k s THR 128 CO -0.03 -0.74 0.29 -0.36 -0.69 0.00 0.00 174.62 173.09 2d8k s PHE 129 N -3.24 -0.36 -0.35 4.92 0.08 -0.97 -4.96 117.98 113.10 2d8k s PHE 129 Ca 0.56 0.85 -0.01 0.00 0.12 0.00 0.00 56.93 58.45 2d8k s PHE 129 Cb -0.11 0.11 0.09 0.00 -0.57 0.00 0.00 43.02 42.54 2d8k s PHE 129 CO 0.51 -0.20 0.09 -1.58 -0.10 0.00 0.00 175.22 173.94 2d8k s TRP 130 N 0.61 3.51 0.04 0.36 0.52 -1.26 -2.96 118.94 119.75 2d8k s TRP 130 Ca -0.04 -2.37 0.08 0.00 0.02 0.00 0.00 56.10 53.79 2d8k s TRP 130 Cb -0.05 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.49 2d8k s TRP 130 CO -0.04 -0.91 -0.24 0.15 0.02 0.00 0.00 176.95 175.93 2d8k s LYS 131 N 1.12 1.69 -0.54 4.98 -0.14 -1.17 -4.99 119.74 120.69 2d8k s LYS 131 Ca 0.04 -1.03 -0.24 0.00 -1.36 0.00 0.00 55.97 53.37 2d8k s LYS 131 Cb -0.21 -1.82 0.04 0.00 -1.68 0.00 0.00 37.83 34.16 2d8k s LYS 131 CO -0.04 0.47 0.93 -0.51 -0.76 0.00 0.00 175.35 175.44 2d8k s ASP 132 N -1.15 6.35 -0.71 2.83 1.11 -1.26 -1.06 116.67 122.78 2d8k s ASP 132 Ca 0.10 -0.32 -0.21 0.00 0.18 0.00 0.00 52.55 52.30 2d8k s ASP 132 Cb -0.10 -2.43 -0.16 0.00 1.07 0.00 0.00 42.92 41.30 2d8k s ASP 132 CO 0.02 -1.19 1.90 0.18 1.18 0.00 0.00 175.17 177.25 2d8k n LEU 133 N 7.38 0.16 -4.62 1.23 4.77 0.09 -4.79 117.00 121.22 2d8k n LEU 133 Ca 0.02 0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 2d8k n LEU 133 Cb 0.48 -0.64 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2d8k n LEU 133 CO 0.63 -0.53 0.56 0.29 -1.33 0.00 0.00 177.39 177.02 2d8k n LYS 134 N 5.94 0.73 -2.11 3.23 4.76 -0.56 -4.54 118.16 125.61 2d8k n LYS 134 Ca 0.47 0.30 -0.43 0.00 -2.87 0.00 0.00 58.31 55.78 2d8k n LYS 134 Cb 0.02 -2.22 -0.03 0.00 -1.84 0.00 0.00 35.03 30.97 2d8k n LYS 134 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2d8k s PRO 135 N -3.07 3.70 0.00 1.97 0.04 -1.26 -1.82 135.00 134.56 2d8k s PRO 135 Ca 0.76 1.57 0.23 0.00 0.04 0.00 0.00 61.00 63.59 2d8k s PRO 135 Cb -0.38 -4.06 0.51 0.00 0.04 0.00 0.00 34.50 30.61 2d8k s PRO 135 CO 0.47 -1.41 1.45 0.45 0.04 0.00 0.00 177.00 178.00 2d8k n SER 136 N 8.80 3.49 0.00 6.66 2.88 -1.26 -4.93 113.62 129.27 2d8k n SER 136 Ca 0.19 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 2d8k n SER 136 Cb 0.46 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2d8k n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8k n GLY 137 N 1.53 -0.59 3.76 0.46 0.00 -1.26 -4.99 105.19 104.11 2d8k n GLY 137 Ca 0.21 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 2d8k n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8k s PRO 138 N -2.00 2.13 -0.07 1.61 0.04 -1.26 -5.05 135.00 130.41 2d8k s PRO 138 Ca 0.00 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2d8k s PRO 138 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.69 2d8k s PRO 138 CO 0.00 -1.72 0.04 -1.12 0.04 0.00 0.00 177.00 174.25 2d8k s SER 139 N -3.40 1.45 0.26 6.66 0.01 -1.26 -5.02 113.70 112.40 2d8k s SER 139 Ca 0.61 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.51 2d8k s SER 139 Cb -0.17 -0.26 -0.10 0.00 0.21 0.00 0.00 66.02 65.70 2d8k s SER 139 CO 0.56 -0.24 1.39 -0.55 0.41 0.00 0.00 173.24 174.81 2d8k s SER 140 N 2.10 6.71 0.00 2.44 0.15 -1.26 -5.27 113.70 118.57 2d8k s SER 140 Ca 0.05 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.33 2d8k s SER 140 Cb -0.13 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2d8k s SER 140 CO -0.04 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.36