#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k s SER 2 N 0.00 -0.09 0.38 1.61 0.01 -1.26 -5.19 113.70 109.16 2d8k s SER 2 Ca 0.00 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.65 2d8k s SER 2 Cb 0.00 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 2d8k s SER 2 CO 0.00 -0.93 0.11 -0.55 0.41 0.00 0.00 173.24 172.29 2d8k s SER 3 N -2.90 2.54 0.00 2.44 0.15 -1.26 -5.18 113.70 109.50 2d8k s SER 3 Ca 0.11 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.17 2d8k s SER 3 Cb 0.02 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2d8k s SER 3 CO -0.04 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.16 2d8k n GLY 4 N -0.82 5.15 3.81 9.45 0.00 -1.26 -5.18 105.19 116.34 2d8k n GLY 4 Ca -0.04 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8k s SER 5 N -0.32 -0.02 0.55 1.61 0.15 -1.26 -5.17 113.70 109.25 2d8k s SER 5 Ca 0.00 -1.07 -0.15 0.00 0.70 0.00 0.00 55.95 55.43 2d8k s SER 5 Cb 0.00 0.83 -0.06 0.00 -1.71 0.00 0.00 66.02 65.07 2d8k s SER 5 CO 0.00 -1.63 1.00 -0.94 1.20 0.00 0.00 173.24 172.87 2d8k s SER 6 N -3.07 6.43 0.00 5.45 1.04 -1.26 -5.02 113.70 117.27 2d8k s SER 6 Ca 0.15 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2d8k s SER 6 Cb -0.05 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2d8k s SER 6 CO 0.11 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2d8k n GLY 7 N -1.87 0.38 3.35 7.32 0.00 -1.26 -5.12 105.19 107.99 2d8k n GLY 7 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2d8k n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8k n SER 8 N -0.13 -2.63 -4.34 1.61 7.64 -1.26 -5.00 113.62 109.51 2d8k n SER 8 Ca 0.00 0.33 -0.32 0.00 1.01 0.00 0.00 58.87 59.89 2d8k n SER 8 Cb 0.00 -1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 61.91 2d8k n SER 8 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d8k s ARG 9 N -3.28 2.52 -0.20 1.43 0.52 -1.26 -5.03 118.95 113.65 2d8k s ARG 9 Ca 0.55 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.80 2d8k s ARG 9 Cb -0.22 -2.23 0.06 0.00 0.52 0.00 0.00 34.95 33.08 2d8k s ARG 9 CO 0.69 0.46 0.49 -1.21 0.02 0.00 0.00 175.30 175.75 2d8k s GLU 10 N -0.34 0.49 -1.21 3.54 0.41 -1.26 -5.06 118.70 115.28 2d8k s GLU 10 Ca 0.02 0.91 -0.13 0.00 -0.41 0.00 0.00 54.97 55.36 2d8k s GLU 10 Cb -0.12 0.04 -0.06 0.00 -1.78 0.00 0.00 34.13 32.20 2d8k s GLU 10 CO 0.02 -0.15 2.32 -1.71 -0.49 0.00 0.00 175.26 175.25 2d8k n ASN 11 N 4.20 5.07 0.12 -0.19 2.85 -1.26 -4.64 115.26 121.41 2d8k n ASN 11 Ca -0.22 -2.60 0.07 0.00 -0.11 0.00 0.00 54.58 51.72 2d8k n ASN 11 Cb 0.56 -1.37 0.38 0.00 1.24 0.00 0.00 39.78 40.59 2d8k n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2d8k n LEU 12 N 5.30 0.36 0.00 1.20 4.77 -1.26 -4.88 117.00 122.49 2d8k n LEU 12 Ca 0.56 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 2d8k n LEU 12 Cb 0.29 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2d8k n LEU 12 CO 0.87 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2d8k n GLY 13 N -1.33 -0.31 3.10 -0.72 0.00 -1.00 -4.21 105.19 100.72 2d8k n GLY 13 Ca -0.01 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.82 0.65 -0.02 1.61 1.70 -0.81 -1.04 118.95 120.22 2d8k s ARG 14 Ca 0.00 -1.05 0.08 0.00 -0.47 0.00 0.00 55.73 54.28 2d8k s ARG 14 Cb 0.00 -0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.21 2d8k s ARG 14 CO 0.00 -0.01 -0.25 -1.50 -1.08 0.00 0.00 175.30 172.46 2d8k s ILE 15 N -2.69 1.96 -0.31 4.99 2.07 -0.33 -2.72 121.20 124.18 2d8k s ILE 15 Ca 0.01 -1.07 -0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2d8k s ILE 15 Cb -0.01 -1.63 0.06 0.00 0.13 0.00 0.00 42.46 41.01 2d8k s ILE 15 CO -0.03 0.54 -0.00 -1.58 -1.91 0.00 0.00 174.94 171.96 2d8k s GLN 16 N -0.61 2.28 0.02 3.50 0.74 -1.15 -2.99 119.66 121.45 2d8k s GLN 16 Ca 0.10 -1.38 0.03 0.00 0.05 0.00 0.00 55.36 54.15 2d8k s GLN 16 Cb -0.10 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 2d8k s GLN 16 CO -0.01 -0.68 -0.10 -0.59 -0.55 0.00 0.00 175.29 173.37 2d8k s PHE 17 N 1.18 0.86 -0.06 1.67 -0.71 -1.14 -1.44 117.98 118.33 2d8k s PHE 17 Ca -0.04 -0.31 -0.01 0.00 -1.04 0.00 0.00 56.93 55.54 2d8k s PHE 17 Cb -0.20 -0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 41.05 2d8k s PHE 17 CO -0.03 -0.01 0.02 -1.12 -1.34 0.00 0.00 175.22 172.74 2d8k s SER 18 N -0.90 5.31 -0.08 1.98 0.01 0.04 -2.17 113.70 117.89 2d8k s SER 18 Ca -0.01 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.42 2d8k s SER 18 Cb -0.07 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.66 2d8k s SER 18 CO 0.00 0.35 -0.20 -0.69 0.41 0.00 0.00 173.24 173.11 2d8k s VAL 19 N -0.96 2.43 -0.30 3.43 1.01 -1.10 -2.48 120.40 122.43 2d8k s VAL 19 Ca 0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2d8k s VAL 19 Cb -0.11 -1.94 0.17 0.00 0.00 0.00 0.00 36.38 34.50 2d8k s VAL 19 CO 0.05 0.56 0.72 -0.83 0.00 0.00 0.00 175.10 175.59 2d8k s GLY 20 N -0.02 -0.76 -0.11 4.51 0.00 -0.97 -2.17 107.32 107.80 2d8k s GLY 20 Ca -0.06 2.22 -0.06 0.00 0.00 0.00 0.00 44.72 46.82 2d8k s GLY 20 CO 0.05 3.35 0.13 -0.47 0.00 0.00 0.00 173.10 176.16 2d8k s TYR 21 N 2.84 3.57 -0.02 1.90 6.14 -1.19 -1.37 117.35 129.23 2d8k s TYR 21 Ca 0.09 0.50 -0.07 0.00 0.64 0.00 0.00 57.07 58.23 2d8k s TYR 21 Cb -0.13 -1.92 -0.05 0.00 0.42 0.00 0.00 41.96 40.28 2d8k s TYR 21 CO -0.19 0.72 0.25 1.21 0.64 0.00 0.00 175.55 178.18 2d8k s ASN 22 N -1.08 6.49 -0.16 4.32 2.47 0.60 -4.69 114.94 122.90 2d8k s ASN 22 Ca 0.16 0.56 -0.14 0.00 0.42 0.00 0.00 52.86 53.86 2d8k s ASN 22 Cb -0.12 -2.09 -0.10 0.00 -1.45 0.00 0.00 41.25 37.49 2d8k s ASN 22 CO 0.05 0.29 0.02 -0.26 -3.72 0.00 0.00 177.10 173.48 2d8k h PHE 23 N 4.20 0.00 -0.07 0.43 0.04 -1.95 -2.47 116.94 117.13 2d8k h PHE 23 Ca -0.51 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.29 2d8k h PHE 23 Cb 1.20 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.30 2d8k h PHE 23 CO 0.70 0.58 -0.51 1.96 -0.60 0.00 0.00 178.31 180.44 2d8k h GLN 24 N -1.00 -0.57 0.00 1.51 4.20 -1.98 -0.53 115.11 116.74 2d8k h GLN 24 Ca -0.13 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2d8k h GLN 24 Cb 0.78 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2d8k h GLN 24 CO -0.08 -0.38 0.00 0.93 -0.67 0.00 0.00 178.83 178.63 2d8k h GLU 25 N -0.59 0.00 -6.15 1.46 5.08 -2.01 -3.47 114.58 108.90 2d8k h GLU 25 Ca 0.02 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.95 2d8k h GLU 25 Cb 0.66 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.94 2d8k h GLU 25 CO -0.38 0.00 -0.82 0.43 -1.00 0.00 0.00 179.01 177.24 2d8k n SER 26 N -2.45 -1.93 -4.21 1.42 7.64 -0.21 -4.97 113.62 108.91 2d8k n SER 26 Ca 0.04 -0.82 -0.18 0.00 1.01 0.00 0.00 58.87 58.92 2d8k n SER 26 Cb 0.36 -3.98 -0.11 0.00 -1.01 0.00 0.00 64.21 59.47 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 -3.60 1.22 -0.17 0.44 2.01 -1.06 -4.52 115.64 109.94 2d8k s THR 27 Ca 0.15 -1.57 -0.12 0.00 0.31 0.00 0.00 61.69 60.46 2d8k s THR 27 Cb -0.07 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 2d8k s THR 27 CO 0.82 -0.36 0.21 -0.22 -0.69 0.00 0.00 174.62 174.37 2d8k s LEU 28 N -2.21 4.24 -0.23 4.42 2.96 -1.16 -0.29 118.68 126.41 2d8k s LEU 28 Ca 0.05 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2d8k s LEU 28 Cb -0.06 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.42 2d8k s LEU 28 CO 0.02 0.16 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.25 2d8k s THR 29 N 0.30 2.91 -0.24 3.68 2.01 -0.47 -2.27 115.64 121.56 2d8k s THR 29 Ca 0.13 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2d8k s THR 29 Cb -0.12 -2.40 0.05 0.00 0.01 0.00 0.00 72.50 70.03 2d8k s THR 29 CO 0.01 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.44 2d8k s VAL 30 N 1.37 2.25 -0.22 3.82 1.01 -1.22 -2.29 120.40 125.11 2d8k s VAL 30 Ca 0.02 -1.43 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 2d8k s VAL 30 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2d8k s VAL 30 CO -0.05 0.10 0.03 -0.75 0.00 0.00 0.00 175.10 174.43 2d8k s LYS 31 N 1.17 3.64 -0.66 2.72 2.20 -1.04 -2.58 119.74 125.19 2d8k s LYS 31 Ca -0.05 -0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 54.90 2d8k s LYS 31 Cb -0.18 -3.18 0.15 0.00 -1.51 0.00 0.00 37.83 33.10 2d8k s LYS 31 CO -0.06 -0.06 0.67 0.42 -0.36 0.00 0.00 175.35 175.95 2d8k s ILE 32 N 1.23 5.19 0.00 5.43 -1.09 -1.12 -0.78 121.20 130.07 2d8k s ILE 32 Ca 0.04 -1.65 0.00 0.00 -2.23 0.00 0.00 60.65 56.81 2d8k s ILE 32 Cb -0.15 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 36.29 2d8k s ILE 32 CO 0.02 -1.02 0.73 0.23 -1.23 0.00 0.00 174.94 173.67 2d8k n MET 33 N 5.25 0.00 -3.86 2.79 2.81 -0.52 0.15 117.12 123.74 2d8k n MET 33 Ca -0.02 0.59 0.02 0.00 -1.81 0.00 0.00 57.70 56.47 2d8k n MET 33 Cb 0.43 -1.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.72 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 -1.93 0.48 0.28 0.03 0.00 -1.23 -1.53 119.74 115.84 2d8k s LYS 34 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 55.97 55.75 2d8k s LYS 34 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.93 2d8k s LYS 34 CO 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 175.35 175.24 2d8k s ALA 35 N -2.16 3.42 -0.04 0.59 0.00 -0.97 -2.93 121.76 119.66 2d8k s ALA 35 Ca 0.24 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.41 2d8k s ALA 35 Cb 0.01 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2d8k s ALA 35 CO -0.01 0.21 0.43 -0.65 0.00 0.00 0.00 175.76 175.74 2d8k s GLN 36 N -3.79 0.77 -1.20 0.00 -0.21 -1.10 -4.37 119.66 109.76 2d8k s GLN 36 Ca 0.34 0.04 -0.00 0.00 0.02 0.00 0.00 55.36 55.75 2d8k s GLN 36 Cb -0.06 0.35 -0.00 0.00 1.00 0.00 0.00 33.01 34.30 2d8k s GLN 36 CO 0.23 -0.21 0.99 0.39 -2.12 0.00 0.00 175.29 174.56 2d8k n GLU 37 N 1.36 -6.48 -3.70 2.91 1.02 -1.26 -1.92 120.64 112.57 2d8k n GLU 37 Ca -0.20 0.84 -0.36 0.00 -0.02 0.00 0.00 57.16 57.42 2d8k n GLU 37 Cb 0.56 -5.84 -0.09 0.00 -0.02 0.00 0.00 31.44 26.05 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 -6.35 4.12 0.88 -4.62 1.43 -1.26 -2.37 118.68 110.51 2d8k s LEU 38 Ca 0.01 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 2d8k s LEU 38 Cb -0.00 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.25 2d8k s LEU 38 CO 0.73 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 176.35 2d8k s PRO 39 N 0.83 1.35 -0.34 1.29 0.04 -1.26 -4.86 135.00 132.06 2d8k s PRO 39 Ca 0.07 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 61.92 2d8k s PRO 39 Cb -0.13 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.65 2d8k s PRO 39 CO 0.02 -2.19 0.10 0.00 0.04 0.00 0.00 177.00 174.98 2d8k s ALA 40 N -2.93 3.03 -0.77 8.56 0.00 -1.26 -4.74 121.76 123.64 2d8k s ALA 40 Ca 0.63 -1.84 -0.08 0.00 0.00 0.00 0.00 51.96 50.68 2d8k s ALA 40 Cb -0.18 -2.24 -0.16 0.00 0.00 0.00 0.00 23.12 20.54 2d8k s ALA 40 CO 0.57 -1.38 3.25 1.63 0.00 0.00 0.00 175.76 179.82 2d8k n LYS 41 N 4.77 2.86 -3.67 0.00 4.76 -1.26 -4.80 118.16 120.82 2d8k n LYS 41 Ca -0.12 -1.70 -0.04 0.00 -2.87 0.00 0.00 58.31 53.59 2d8k n LYS 41 Cb 0.44 -2.37 -0.01 0.00 -1.84 0.00 0.00 35.03 31.24 2d8k n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2d8k s ASP 42 N 1.90 -0.20 -0.01 4.39 1.01 -1.26 -4.99 116.67 117.52 2d8k s ASP 42 Ca 0.67 -0.25 -0.19 0.00 0.71 0.00 0.00 52.55 53.49 2d8k s ASP 42 Cb 0.26 0.39 -0.34 0.00 1.01 0.00 0.00 42.92 44.24 2d8k s ASP 42 CO -0.04 -0.71 0.95 0.15 0.21 0.00 0.00 175.17 175.73 2d8k h PHE 43 N 2.00 0.79 -0.88 4.23 3.04 -1.89 -3.34 116.94 120.89 2d8k h PHE 43 Ca -0.24 -0.58 0.19 0.00 3.98 0.00 0.00 57.97 61.33 2d8k h PHE 43 Cb 1.22 -0.03 -0.16 0.00 2.56 0.00 0.00 35.95 39.54 2d8k h PHE 43 CO 0.34 1.45 -0.15 0.77 -2.02 0.00 0.00 178.31 178.70 2d8k h SER 44 N -0.09 -0.70 0.00 0.41 0.02 -1.97 -3.45 113.55 107.77 2d8k h SER 44 Ca -0.20 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2d8k h SER 44 Cb 1.93 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.98 2d8k h SER 44 CO 0.22 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 2d8k n GLY 45 N -1.53 1.80 3.65 -3.77 0.00 -1.25 -5.14 105.19 98.94 2d8k n GLY 45 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2d8k n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d8k s THR 46 N -1.80 0.00 0.26 2.61 -1.32 -1.26 -4.93 115.64 109.20 2d8k s THR 46 Ca 0.00 -0.51 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 2d8k s THR 46 Cb 0.00 -1.54 -0.00 0.00 -1.51 0.00 0.00 72.50 69.45 2d8k s THR 46 CO 0.00 0.00 0.49 -0.44 -2.21 0.00 0.00 174.62 172.46 2d8k s SER 47 N -2.82 -0.02 -0.89 8.08 0.01 -1.26 -4.37 113.70 112.42 2d8k s SER 47 Ca 0.07 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.31 2d8k s SER 47 Cb -0.03 0.60 0.22 0.00 0.21 0.00 0.00 66.02 67.02 2d8k s SER 47 CO -0.02 -1.17 0.80 -0.62 0.41 0.00 0.00 173.24 172.63 2d8k s ASP 48 N -3.03 6.28 0.20 2.44 2.15 -1.26 -2.86 116.67 120.58 2d8k s ASP 48 Ca 0.23 -3.41 -0.30 0.00 0.43 0.00 0.00 52.55 49.50 2d8k s ASP 48 Cb -0.01 -2.01 -0.09 0.00 -0.30 0.00 0.00 42.92 40.52 2d8k s ASP 48 CO 0.10 -0.29 1.30 -2.16 -0.17 0.00 0.00 175.17 173.95 2d8k s PRO 49 N -0.90 4.39 -0.07 4.34 0.04 -1.24 -2.80 135.00 138.76 2d8k s PRO 49 Ca 0.25 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2d8k s PRO 49 Cb -0.11 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.27 2d8k s PRO 49 CO -0.09 -0.25 0.16 -0.59 0.04 0.00 0.00 177.00 176.27 2d8k s PHE 50 N 0.12 -0.19 0.24 0.56 -0.71 0.34 -3.92 117.98 114.43 2d8k s PHE 50 Ca 0.57 0.49 -0.13 0.00 -1.04 0.00 0.00 56.93 56.82 2d8k s PHE 50 Cb -0.36 0.00 -0.08 0.00 -1.21 0.00 0.00 43.02 41.37 2d8k s PHE 50 CO 0.38 -0.14 0.62 0.08 -1.34 0.00 0.00 175.22 174.83 2d8k s VAL 51 N 0.68 4.80 -0.11 -2.49 1.01 -1.26 -1.80 120.40 121.24 2d8k s VAL 51 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2d8k s VAL 51 Cb -0.07 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2d8k s VAL 51 CO -0.03 -0.02 -0.10 -0.54 0.00 0.00 0.00 175.10 174.40 2d8k s LYS 52 N -2.63 1.74 -0.17 2.72 1.02 0.17 -1.37 119.74 121.23 2d8k s LYS 52 Ca 0.47 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 2d8k s LYS 52 Cb -0.12 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 2d8k s LYS 52 CO 0.20 -0.19 0.20 0.42 -0.92 0.00 0.00 175.35 175.06 2d8k s ILE 53 N 1.42 5.37 -0.08 2.17 1.01 0.27 -2.25 121.20 129.10 2d8k s ILE 53 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 2d8k s ILE 53 Cb -0.13 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.85 2d8k s ILE 53 CO -0.06 0.45 0.16 -0.31 0.00 0.00 0.00 174.94 175.18 2d8k s TYR 54 N 0.18 -0.18 -1.15 3.97 1.51 -0.54 -0.78 117.35 120.35 2d8k s TYR 54 Ca 0.13 0.60 -0.15 0.00 -1.01 0.00 0.00 57.07 56.63 2d8k s TYR 54 Cb -0.12 -0.22 0.15 0.00 -0.11 0.00 0.00 41.96 41.66 2d8k s TYR 54 CO 0.01 -0.25 1.39 -0.51 -1.11 0.00 0.00 175.55 175.08 2d8k s LEU 55 N 2.07 4.92 0.57 -1.29 1.43 -1.25 -1.74 118.68 123.38 2d8k s LEU 55 Ca 0.01 -2.71 -0.19 0.00 -1.03 0.00 0.00 54.13 50.21 2d8k s LEU 55 Cb -0.12 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2d8k s LEU 55 CO -0.06 -0.87 1.14 -0.76 0.23 0.00 0.00 176.35 176.03 2d8k s LEU 56 N 2.11 3.67 0.10 1.79 1.43 -1.05 -2.37 118.68 124.36 2d8k s LEU 56 Ca 0.42 2.18 -0.15 0.00 -1.03 0.00 0.00 54.13 55.54 2d8k s LEU 56 Cb -0.03 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.53 2d8k s LEU 56 CO -0.02 -1.35 1.41 1.55 0.23 0.00 0.00 176.35 178.17 2d8k h PRO 57 N 0.94 0.68 -3.64 1.29 0.13 -1.89 -1.84 132.00 127.66 2d8k h PRO 57 Ca -0.49 -0.36 -0.42 0.00 -0.87 0.00 0.00 66.00 63.85 2d8k h PRO 57 Cb 1.26 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2d8k h PRO 57 CO 0.56 0.97 1.02 -3.47 -0.23 0.00 0.00 178.00 176.85 2d8k n ASP 58 N -4.28 0.34 -1.05 1.44 -0.08 -1.00 -4.73 116.55 107.19 2d8k n ASP 58 Ca -0.04 0.29 0.10 0.00 -1.51 0.00 0.00 54.79 53.62 2d8k n ASP 58 Cb 0.47 -0.60 0.22 0.00 2.34 0.00 0.00 41.12 43.55 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 5.29 2.49 0.00 -0.67 5.02 -1.26 -3.96 118.16 125.07 2d8k n LYS 59 Ca 0.40 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 2d8k n LYS 59 Cb -0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2d8k n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2d8k n LYS 60 N 1.27 0.00 -2.52 1.97 4.76 -1.26 -4.49 118.16 117.88 2d8k n LYS 60 Ca 0.18 0.44 -0.40 0.00 -2.87 0.00 0.00 58.31 55.66 2d8k n LYS 60 Cb 0.55 -1.16 -0.03 0.00 -1.84 0.00 0.00 35.03 32.54 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2d8k s HIS 61 N -1.72 2.36 0.19 2.13 3.76 -1.26 -4.98 115.29 115.77 2d8k s HIS 61 Ca 0.00 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 2d8k s HIS 61 Cb 0.00 -4.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.02 2d8k s HIS 61 CO 0.00 -2.01 -0.05 -1.59 -0.85 0.00 0.00 174.74 170.24 2d8k s LYS 62 N 5.46 2.21 0.20 1.40 0.00 -1.26 -4.44 119.74 123.31 2d8k s LYS 62 Ca 0.42 -1.24 0.04 0.00 0.00 0.00 0.00 55.97 55.19 2d8k s LYS 62 Cb -0.04 -2.23 -0.05 0.00 0.00 0.00 0.00 37.83 35.51 2d8k s LYS 62 CO 0.03 0.43 -0.03 -1.17 0.00 0.00 0.00 175.35 174.61 2d8k s LEU 63 N -2.99 2.28 0.14 2.77 2.96 0.04 -5.03 118.68 118.85 2d8k s LEU 63 Ca 0.27 -1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 52.91 2d8k s LEU 63 Cb -0.09 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.35 2d8k s LEU 63 CO 0.17 -0.47 0.31 -0.70 -1.32 0.00 0.00 176.35 174.34 2d8k s GLU 64 N -3.84 1.07 0.34 1.98 2.12 -1.26 0.93 118.70 120.04 2d8k s GLU 64 Ca 0.24 -0.97 0.03 0.00 0.36 0.00 0.00 54.97 54.63 2d8k s GLU 64 Cb 0.05 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.82 2d8k s GLU 64 CO 0.06 -0.40 0.50 0.95 -0.54 0.00 0.00 175.26 175.83 2d8k s THR 65 N -3.89 4.70 1.12 -1.70 -4.23 -0.47 -4.92 115.64 106.25 2d8k s THR 65 Ca 0.09 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.69 2d8k s THR 65 Cb 0.03 -3.68 0.13 0.00 1.34 0.00 0.00 72.50 70.31 2d8k s THR 65 CO -0.06 -0.36 0.08 0.29 -0.54 0.00 0.00 174.62 174.02 2d8k n LYS 66 N -1.71 -1.88 -4.38 3.99 4.76 -1.26 -4.62 118.16 113.06 2d8k n LYS 66 Ca -0.04 -0.54 -0.34 0.00 -2.87 0.00 0.00 58.31 54.53 2d8k n LYS 66 Cb 0.57 -1.67 -0.13 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.20 3.62 -0.28 -0.18 1.01 -1.26 -4.64 120.40 116.47 2d8k s VAL 67 Ca 0.53 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 2d8k s VAL 67 Cb -0.11 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2d8k s VAL 67 CO 0.61 0.48 0.03 -0.54 0.00 0.00 0.00 175.10 175.68 2d8k s LYS 68 N 0.60 2.91 0.20 2.72 -0.14 -1.25 -5.09 119.74 119.69 2d8k s LYS 68 Ca -0.04 -0.96 -0.16 0.00 -1.36 0.00 0.00 55.97 53.46 2d8k s LYS 68 Cb -0.15 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 32.69 2d8k s LYS 68 CO 0.03 -0.46 0.64 1.03 -0.76 0.00 0.00 175.35 175.82 2d8k s ARG 69 N 1.42 4.07 -1.34 1.68 1.81 -1.26 -3.73 118.95 121.60 2d8k s ARG 69 Ca 0.01 0.64 -0.00 0.00 -1.72 0.00 0.00 55.73 54.65 2d8k s ARG 69 Cb -0.17 -2.83 -0.00 0.00 -0.45 0.00 0.00 34.95 31.49 2d8k s ARG 69 CO -0.00 0.40 0.60 1.63 -0.68 0.00 0.00 175.30 177.25 2d8k n LYS 70 N 0.57 -4.25 -3.65 3.54 5.02 -1.25 -4.98 118.16 113.17 2d8k n LYS 70 Ca -0.03 0.54 -0.05 0.00 -2.02 0.00 0.00 58.31 56.76 2d8k n LYS 70 Cb 0.52 -4.93 -0.06 0.00 -0.02 0.00 0.00 35.03 30.54 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2d8k s ASN 71 N -4.35 -0.93 -0.12 4.39 3.84 -1.13 -4.95 114.94 111.68 2d8k s ASN 71 Ca 0.01 1.44 0.16 0.00 0.21 0.00 0.00 52.86 54.69 2d8k s ASN 71 Cb -0.00 1.75 -0.23 0.00 -0.55 0.00 0.00 41.25 42.21 2d8k s ASN 71 CO 0.84 -0.23 0.17 0.18 -2.79 0.00 0.00 177.10 175.28 2d8k n LEU 72 N 4.94 0.00 -2.24 3.21 4.77 -1.26 -4.00 117.00 122.41 2d8k n LEU 72 Ca -0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.57 2d8k n LEU 72 Cb 0.53 0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.92 2d8k n LEU 72 CO -0.02 0.28 0.25 0.59 -1.33 0.00 0.00 177.39 177.16 2d8k n ASN 73 N -2.47 4.97 -4.77 -1.43 3.02 -1.26 -4.20 115.26 109.12 2d8k n ASN 73 Ca -0.20 -3.74 -0.31 0.00 -0.03 0.00 0.00 54.58 50.30 2d8k n ASN 73 Cb 0.86 -0.42 0.09 0.00 -0.61 0.00 0.00 39.78 39.70 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 -3.59 2.33 -0.23 3.52 0.04 -1.26 -4.70 135.00 131.09 2d8k s PRO 74 Ca 0.50 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 2d8k s PRO 74 Cb 0.41 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 33.08 2d8k s PRO 74 CO -0.07 -1.59 -0.10 -3.38 0.04 0.00 0.00 177.00 171.90 2d8k s HIS 75 N -2.83 3.04 -0.07 0.56 -3.43 -1.26 -2.30 115.29 108.99 2d8k s HIS 75 Ca 0.62 -1.69 -0.20 0.00 -0.80 0.00 0.00 55.06 52.98 2d8k s HIS 75 Cb -0.18 -2.01 -0.30 0.00 -1.43 0.00 0.00 32.58 28.67 2d8k s HIS 75 CO 0.54 -0.77 0.78 -1.49 -2.00 0.00 0.00 174.74 171.80 2d8k h TRP 76 N 7.96 0.50 -5.88 0.38 6.55 -1.63 -3.47 115.95 120.36 2d8k h TRP 76 Ca -0.33 -0.36 -0.29 0.00 0.95 0.00 0.00 58.89 58.86 2d8k h TRP 76 Cb 1.10 -0.02 -0.18 0.00 -0.86 0.00 0.00 29.16 29.21 2d8k h TRP 76 CO 0.56 1.38 -0.41 0.27 -1.05 0.00 0.00 178.44 179.19 2d8k n ASN 77 N -4.08 -1.34 -4.95 -3.49 6.94 0.12 -4.88 115.26 103.60 2d8k n ASN 77 Ca -0.18 -0.32 -0.23 0.00 -0.02 0.00 0.00 54.58 53.83 2d8k n ASN 77 Cb 0.84 -1.23 0.02 0.00 -2.36 0.00 0.00 39.78 37.05 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2d8k s GLU 78 N -5.83 2.89 -0.07 -3.83 0.41 -1.24 -4.89 118.70 106.14 2d8k s GLU 78 Ca 0.38 -0.44 -0.01 0.00 -0.41 0.00 0.00 54.97 54.49 2d8k s GLU 78 Cb -0.22 -2.47 0.03 0.00 -1.78 0.00 0.00 34.13 29.69 2d8k s GLU 78 CO 0.47 -0.49 -0.00 0.99 -0.49 0.00 0.00 175.26 175.74 2d8k s THR 79 N -2.72 0.38 0.40 3.63 2.01 -1.26 -2.78 115.64 115.30 2d8k s THR 79 Ca 0.52 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.71 2d8k s THR 79 Cb -0.10 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2d8k s THR 79 CO 0.40 0.26 0.40 -0.36 -0.69 0.00 0.00 174.62 174.63 2d8k s PHE 80 N 1.91 2.78 -0.11 4.92 0.40 -1.07 -4.98 117.98 121.84 2d8k s PHE 80 Ca 0.04 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 55.89 2d8k s PHE 80 Cb -0.12 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.32 2d8k s PHE 80 CO -0.05 -0.12 0.25 -0.51 0.70 0.00 0.00 175.22 175.50 2d8k s LEU 81 N -4.15 0.18 -0.39 -0.37 1.43 -1.26 -3.43 118.68 110.70 2d8k s LEU 81 Ca 0.48 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 2d8k s LEU 81 Cb -0.05 0.73 0.10 0.00 0.03 0.00 0.00 46.19 47.00 2d8k s LEU 81 CO 0.29 -0.19 0.16 -0.36 0.23 0.00 0.00 176.35 176.48 2d8k s PHE 82 N 1.62 3.57 0.00 0.29 0.08 -0.96 -4.95 117.98 117.63 2d8k s PHE 82 Ca -0.06 -2.41 -0.05 0.00 0.12 0.00 0.00 56.93 54.53 2d8k s PHE 82 Cb -0.11 -3.05 -0.05 0.00 -0.57 0.00 0.00 43.02 39.24 2d8k s PHE 82 CO -0.09 -0.95 0.24 -1.21 -0.10 0.00 0.00 175.22 173.12 2d8k s GLU 83 N 1.13 3.54 0.00 0.44 2.02 -1.26 -3.00 118.70 121.57 2d8k s GLU 83 Ca 0.07 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2d8k s GLU 83 Cb -0.22 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2d8k s GLU 83 CO -0.04 0.66 0.00 0.41 0.02 0.00 0.00 175.26 176.30 2d8k n GLY 84 N 1.07 1.64 2.70 -1.39 0.00 -1.26 -5.10 105.19 102.85 2d8k n GLY 84 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 -0.05 0.41 1.61 0.40 -1.26 -5.13 117.98 111.96 2d8k s PHE 85 Ca 0.00 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.12 2d8k s PHE 85 Cb 0.00 -0.50 -0.08 0.00 0.51 0.00 0.00 43.02 42.95 2d8k s PHE 85 CO 0.00 -0.51 1.19 -1.25 0.70 0.00 0.00 175.22 175.35 2d8k s PRO 86 N 2.24 4.00 0.18 0.24 0.04 -1.26 -4.70 135.00 135.73 2d8k s PRO 86 Ca 0.04 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 2d8k s PRO 86 Cb -0.15 -2.64 0.11 0.00 0.04 0.00 0.00 34.50 31.86 2d8k s PRO 86 CO -0.10 -0.38 1.61 -0.92 0.04 0.00 0.00 177.00 177.26 2d8k h TYR 87 N 2.55 -0.68 -0.85 0.56 5.03 -1.94 0.52 116.97 122.16 2d8k h TYR 87 Ca -0.49 0.06 0.25 0.00 2.58 0.00 0.00 58.73 61.12 2d8k h TYR 87 Cb 1.24 0.37 -0.03 0.00 1.55 0.00 0.00 36.73 39.86 2d8k h TYR 87 CO 0.54 -0.33 0.91 1.05 -1.32 0.00 0.00 178.16 179.01 2d8k h GLU 88 N -0.16 0.00 0.00 1.82 4.11 -2.01 -1.22 114.58 117.12 2d8k h GLU 88 Ca 0.21 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.55 2d8k h GLU 88 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2d8k h GLU 88 CO -0.56 0.00 -1.19 1.63 0.07 0.00 0.00 179.01 178.96 2d8k n LYS 89 N -3.51 0.53 -0.39 1.06 5.02 0.14 -4.25 118.16 116.75 2d8k n LYS 89 Ca 0.18 0.31 0.35 0.00 -2.02 0.00 0.00 58.31 57.13 2d8k n LYS 89 Cb 1.19 -1.51 0.60 0.00 -0.02 0.00 0.00 35.03 35.29 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 -4.45 -0.29 -0.23 -0.18 3.14 0.92 0.21 118.33 117.45 2d8k n VAL 90 Ca -0.21 1.76 -0.08 0.00 -2.96 0.00 0.00 64.34 62.85 2d8k n VAL 90 Cb 0.54 -2.87 0.03 0.00 -1.06 0.00 0.00 33.84 30.49 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 1.25 0.00 1.55 -1.51 -1.46 -1.95 116.25 114.13 2d8k h VAL 91 Ca 0.81 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2d8k h VAL 91 Cb 2.45 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2d8k h VAL 91 CO -0.54 0.33 0.00 1.56 -1.23 0.00 0.00 177.57 177.69 2d8k h GLN 92 N 0.93 0.00 -7.03 5.19 4.20 0.23 -3.17 115.11 115.47 2d8k h GLN 92 Ca 0.21 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.45 2d8k h GLN 92 Cb 0.30 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.13 2d8k h GLN 92 CO -0.01 0.00 0.11 1.03 -0.67 0.00 0.00 178.83 179.29 2d8k s ARG 93 N -3.53 2.84 -0.01 1.46 1.81 -0.73 -4.87 118.95 115.92 2d8k s ARG 93 Ca 0.01 -0.19 0.05 0.00 -1.72 0.00 0.00 55.73 53.88 2d8k s ARG 93 Cb 0.09 -2.34 -0.01 0.00 -0.45 0.00 0.00 34.95 32.24 2d8k s ARG 93 CO 0.36 -0.67 -0.18 0.42 -0.68 0.00 0.00 175.30 174.56 2d8k s ILE 94 N -2.91 1.40 -0.21 1.52 1.01 -0.69 -3.02 121.20 118.29 2d8k s ILE 94 Ca 0.54 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 2d8k s ILE 94 Cb -0.10 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 2d8k s ILE 94 CO 0.43 0.40 0.95 -0.22 0.00 0.00 0.00 174.94 176.49 2d8k s LEU 95 N -0.41 4.12 -0.24 2.97 2.96 -0.13 -2.52 118.68 125.43 2d8k s LEU 95 Ca 0.07 1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 55.22 2d8k s LEU 95 Cb -0.07 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.23 2d8k s LEU 95 CO -0.01 -0.56 -0.04 -0.47 -1.32 0.00 0.00 176.35 173.95 2d8k s TYR 96 N 2.82 3.03 -0.18 5.38 5.04 -0.71 -2.45 117.35 130.28 2d8k s TYR 96 Ca 0.41 -1.29 0.01 0.00 -2.44 0.00 0.00 57.07 53.76 2d8k s TYR 96 Cb -0.16 -2.09 0.03 0.00 0.35 0.00 0.00 41.96 40.09 2d8k s TYR 96 CO 0.09 -0.66 -0.14 -0.51 -1.34 0.00 0.00 175.55 172.99 2d8k s LEU 97 N 1.39 2.09 -0.08 6.97 1.43 -0.94 -1.47 118.68 128.07 2d8k s LEU 97 Ca 0.02 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2d8k s LEU 97 Cb -0.16 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2d8k s LEU 97 CO -0.04 -0.08 -0.19 -1.58 0.23 0.00 0.00 176.35 174.70 2d8k s GLN 98 N 1.39 2.33 -0.34 1.70 0.74 -0.95 -0.40 119.66 124.12 2d8k s GLN 98 Ca 0.02 -0.66 -0.08 0.00 0.05 0.00 0.00 55.36 54.69 2d8k s GLN 98 Cb -0.14 -1.84 0.03 0.00 1.10 0.00 0.00 33.01 32.15 2d8k s GLN 98 CO -0.10 0.14 0.13 0.08 -0.55 0.00 0.00 175.29 174.99 2d8k s VAL 99 N 0.40 4.05 0.36 1.34 1.01 0.01 -0.65 120.40 126.93 2d8k s VAL 99 Ca -0.15 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2d8k s VAL 99 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2d8k s VAL 99 CO 0.06 -0.15 0.08 0.18 0.00 0.00 0.00 175.10 175.27 2d8k n LEU 100 N 4.88 0.00 -4.16 3.92 4.32 -0.74 -3.00 117.00 122.21 2d8k n LEU 100 Ca -0.13 -2.58 -0.34 0.00 -0.02 0.00 0.00 56.01 52.94 2d8k n LEU 100 Cb 0.46 0.67 -0.14 0.00 -1.62 0.00 0.00 43.42 42.79 2d8k n LEU 100 CO 0.33 -0.39 -0.41 -1.81 -1.22 0.00 0.00 177.39 173.89 2d8k s ASP 101 N -3.13 4.45 -0.20 -1.43 1.01 -1.25 -0.50 116.67 115.61 2d8k s ASP 101 Ca 0.12 -1.09 -0.29 0.00 0.71 0.00 0.00 52.55 52.00 2d8k s ASP 101 Cb 0.01 -1.64 -0.02 0.00 1.01 0.00 0.00 42.92 42.27 2d8k s ASP 101 CO 0.08 -0.17 1.49 -0.47 0.21 0.00 0.00 175.17 176.31 2d8k s TYR 102 N 1.26 2.35 0.50 4.23 5.04 -1.12 -4.39 117.35 125.21 2d8k s TYR 102 Ca -0.03 0.65 0.08 0.00 -2.44 0.00 0.00 57.07 55.33 2d8k s TYR 102 Cb -0.18 -3.86 0.05 0.00 0.35 0.00 0.00 41.96 38.31 2d8k s TYR 102 CO -0.04 -2.58 0.69 -0.51 -1.34 0.00 0.00 175.55 171.77 2d8k s ASP 103 N 3.35 5.37 0.28 4.32 1.01 -1.26 -4.80 116.67 124.93 2d8k s ASP 103 Ca 0.65 -0.58 -0.01 0.00 0.71 0.00 0.00 52.55 53.32 2d8k s ASP 103 Cb -0.24 -0.24 0.45 0.00 1.01 0.00 0.00 42.92 43.90 2d8k s ASP 103 CO 0.25 -1.06 1.88 0.08 0.21 0.00 0.00 175.17 176.54 2d8k h ARG 104 N 0.38 1.10 -6.25 8.23 0.11 -1.95 -3.43 114.38 112.57 2d8k h ARG 104 Ca -0.36 -0.07 -0.54 0.00 0.10 0.00 0.00 59.98 59.12 2d8k h ARG 104 Cb 1.28 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 32.10 2d8k h ARG 104 CO 0.43 0.73 -0.22 -0.06 0.10 0.00 0.00 179.97 180.95 2d8k s PHE 105 N -6.00 1.58 0.27 4.08 0.08 -1.26 -5.01 117.98 111.72 2d8k s PHE 105 Ca -0.12 -0.78 -0.00 0.00 0.12 0.00 0.00 56.93 56.15 2d8k s PHE 105 Cb 0.20 -2.05 0.56 0.00 -0.57 0.00 0.00 43.02 41.16 2d8k s PHE 105 CO 0.81 -0.75 1.77 0.77 -0.10 0.00 0.00 175.22 177.71 2d8k h SER 106 N 0.51 0.58 -0.05 1.36 0.02 -2.03 -3.42 113.55 110.52 2d8k h SER 106 Ca -0.34 0.09 -0.60 0.00 -0.84 0.00 0.00 61.79 60.10 2d8k h SER 106 Cb 1.30 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2d8k h SER 106 CO 0.50 0.24 0.98 -1.14 -1.14 0.00 0.00 176.83 176.28 2d8k n ARG 107 N -4.85 0.00 -3.73 3.45 0.00 -1.26 -4.86 116.66 105.42 2d8k n ARG 107 Ca 0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.73 2d8k n ARG 107 Cb 0.45 -1.16 -0.14 0.00 0.00 0.00 0.00 32.46 31.61 2d8k n ARG 107 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2d8k s ASN 108 N 4.47 3.91 -0.32 6.15 -0.87 -1.26 -4.12 114.94 122.91 2d8k s ASN 108 Ca 0.92 -1.95 -0.29 0.00 -1.57 0.00 0.00 52.86 49.97 2d8k s ASN 108 Cb -1.16 -0.92 -0.01 0.00 -0.02 0.00 0.00 41.25 39.14 2d8k s ASN 108 CO 0.52 -0.37 1.58 -0.62 -2.57 0.00 0.00 177.10 175.64 2d8k s ASP 109 N 1.22 6.24 0.13 -1.22 -1.08 -1.26 -4.92 116.67 115.78 2d8k s ASP 109 Ca 0.12 1.25 -0.31 0.00 -0.52 0.00 0.00 52.55 53.10 2d8k s ASP 109 Cb -0.20 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.65 2d8k s ASP 109 CO -0.16 -1.43 1.35 -2.16 0.52 0.00 0.00 175.17 173.28 2d8k s PRO 110 N 5.01 4.35 -0.23 4.34 0.04 -1.26 -3.85 135.00 143.39 2d8k s PRO 110 Ca 0.70 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.60 2d8k s PRO 110 Cb -0.20 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 30.93 2d8k s PRO 110 CO 0.31 -0.38 -0.02 -0.89 0.04 0.00 0.00 177.00 176.07 2d8k n ILE 111 N 3.66 1.55 -3.61 0.56 5.41 -1.16 -4.75 119.36 121.02 2d8k n ILE 111 Ca 0.10 -0.22 -0.04 0.00 1.00 0.00 0.00 62.75 63.59 2d8k n ILE 111 Cb 0.43 -1.94 -0.02 0.00 -0.71 0.00 0.00 39.64 37.40 2d8k n ILE 111 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2d8k s GLY 112 N -5.21 -0.24 0.25 7.39 0.00 -1.18 -4.16 107.32 104.17 2d8k s GLY 112 Ca -0.33 1.79 -0.00 0.00 0.00 0.00 0.00 44.72 46.19 2d8k s GLY 112 CO 0.56 0.63 0.23 -1.83 0.00 0.00 0.00 173.10 172.69 2d8k s GLU 113 N -2.16 1.43 -0.06 2.90 4.04 -1.07 -0.81 118.70 122.98 2d8k s GLU 113 Ca 0.09 -1.70 -0.06 0.00 0.04 0.00 0.00 54.97 53.34 2d8k s GLU 113 Cb -0.01 0.32 0.02 0.00 0.02 0.00 0.00 34.13 34.47 2d8k s GLU 113 CO -0.04 -0.51 0.18 0.08 -1.84 0.00 0.00 175.26 173.12 2d8k s VAL 114 N -3.88 0.01 -0.15 1.83 1.01 0.47 -2.62 120.40 117.07 2d8k s VAL 114 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2d8k s VAL 114 Cb 0.04 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.17 2d8k s VAL 114 CO 0.16 -0.05 -0.13 -0.94 0.00 0.00 0.00 175.10 174.15 2d8k s SER 115 N -0.09 2.77 -0.06 3.32 1.04 -1.26 -2.21 113.70 117.20 2d8k s SER 115 Ca -0.02 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 2d8k s SER 115 Cb -0.02 -1.15 0.04 0.00 0.10 0.00 0.00 66.02 64.99 2d8k s SER 115 CO 0.00 -0.08 0.12 -0.63 0.98 0.00 0.00 173.24 173.63 2d8k s ILE 116 N 1.50 -0.15 -0.04 -1.02 1.01 -1.03 -5.02 121.20 116.46 2d8k s ILE 116 Ca 0.04 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 2d8k s ILE 116 Cb -0.13 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.07 2d8k s ILE 116 CO -0.10 0.13 1.48 -2.16 0.00 0.00 0.00 174.94 174.29 2d8k s PRO 117 N 1.82 4.24 0.12 2.79 0.04 -1.26 -0.96 135.00 141.78 2d8k s PRO 117 Ca -0.01 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.14 2d8k s PRO 117 Cb -0.12 -3.74 0.49 0.00 0.04 0.00 0.00 34.50 31.17 2d8k s PRO 117 CO -0.05 -0.70 1.29 1.28 0.04 0.00 0.00 177.00 178.87 2d8k n LEU 118 N 6.15 0.22 0.12 -3.56 4.77 -1.17 -1.02 117.00 122.51 2d8k n LEU 118 Ca 0.15 0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 56.71 2d8k n LEU 118 Cb 0.43 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2d8k n LEU 118 CO 0.60 -0.63 0.39 -1.13 -1.33 0.00 0.00 177.39 175.28 2d8k h ASN 119 N 0.00 0.00 0.09 -1.43 -0.73 -1.76 -3.30 115.58 108.45 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 0.04 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.65 2d8k h ASN 119 CO 0.00 0.68 -0.66 0.11 -0.37 0.00 0.00 177.43 177.19 2d8k h LYS 120 N 0.00 0.29 -6.75 6.67 1.79 -1.41 -3.45 116.57 113.70 2d8k h LYS 120 Ca -0.01 -0.43 -0.52 0.00 -2.18 0.00 0.00 60.65 57.51 2d8k h LYS 120 Cb 1.41 0.15 0.05 0.00 -1.58 0.00 0.00 32.23 32.26 2d8k h LYS 120 CO 0.09 1.17 0.71 0.54 -1.08 0.00 0.00 179.45 180.88 2d8k s VAL 121 N -2.64 2.81 -1.18 0.50 0.11 -1.20 -4.88 120.40 113.93 2d8k s VAL 121 Ca -0.14 0.70 -0.23 0.00 -2.93 0.00 0.00 61.98 59.38 2d8k s VAL 121 Cb 0.01 -3.45 -0.11 0.00 -1.53 0.00 0.00 36.38 31.31 2d8k s VAL 121 CO 0.81 0.12 1.96 -1.81 -3.33 0.00 0.00 175.10 172.85 2d8k s ASP 122 N 0.20 4.81 0.65 3.54 1.01 -1.26 -4.72 116.67 120.91 2d8k s ASP 122 Ca 0.57 -1.59 0.32 0.00 0.71 0.00 0.00 52.55 52.56 2d8k s ASP 122 Cb -0.40 -2.59 1.76 0.00 1.01 0.00 0.00 42.92 42.70 2d8k s ASP 122 CO 0.44 -3.32 2.01 -0.07 0.21 0.00 0.00 175.17 174.44 2d8k h LEU 123 N 18.37 0.00 -1.41 1.23 3.38 -1.89 -2.19 115.31 132.80 2d8k h LEU 123 Ca 0.19 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.56 2d8k h LEU 123 Cb 0.95 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 2d8k h LEU 123 CO 1.20 0.00 0.82 0.71 0.09 0.00 0.00 178.44 181.26 2d8k h THR 124 N 0.00 0.20 -3.67 0.22 1.35 -1.84 -3.14 112.91 106.02 2d8k h THR 124 Ca 0.03 -0.05 -0.07 0.00 -0.55 0.00 0.00 66.41 65.77 2d8k h THR 124 Cb 0.58 0.05 -0.12 0.00 -1.73 0.00 0.00 68.15 66.93 2d8k h THR 124 CO -0.00 0.03 -0.20 -1.10 -0.25 0.00 0.00 175.52 174.00 2d8k s GLN 125 N -5.33 1.21 0.20 4.72 -0.21 -0.82 -4.93 119.66 114.50 2d8k s GLN 125 Ca -0.08 -1.05 -0.30 0.00 0.02 0.00 0.00 55.36 53.95 2d8k s GLN 125 Cb 0.29 0.43 -0.09 0.00 1.00 0.00 0.00 33.01 34.63 2d8k s GLN 125 CO 0.82 -0.47 1.42 1.41 -2.12 0.00 0.00 175.29 176.35 2d8k s MET 126 N -3.93 4.30 -0.06 2.91 -2.45 -1.26 -4.63 119.30 114.19 2d8k s MET 126 Ca 0.13 2.21 -0.02 0.00 -1.25 0.00 0.00 55.69 56.76 2d8k s MET 126 Cb 0.02 -3.16 0.04 0.00 1.25 0.00 0.00 34.83 32.98 2d8k s MET 126 CO -0.02 -0.41 0.11 -0.65 1.05 0.00 0.00 175.02 175.10 2d8k s GLN 127 N 0.15 -0.01 0.41 4.11 -1.52 -0.92 -4.97 119.66 116.91 2d8k s GLN 127 Ca 0.61 0.42 -0.24 0.00 -1.95 0.00 0.00 55.36 54.20 2d8k s GLN 127 Cb -0.40 -0.34 -0.08 0.00 -0.22 0.00 0.00 33.01 31.97 2d8k s GLN 127 CO 0.38 -0.27 1.10 0.99 -0.25 0.00 0.00 175.29 177.24 2d8k s THR 128 N 1.91 3.44 -0.01 -0.19 2.01 -1.26 -2.73 115.64 118.82 2d8k s THR 128 Ca 0.00 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.15 2d8k s THR 128 Cb -0.12 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2d8k s THR 128 CO -0.04 0.03 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.48 2d8k s PHE 129 N -1.57 0.69 -0.30 4.92 0.40 -0.92 -4.99 117.98 116.21 2d8k s PHE 129 Ca 0.59 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 2d8k s PHE 129 Cb -0.26 -0.45 0.09 0.00 0.51 0.00 0.00 43.02 42.91 2d8k s PHE 129 CO 0.32 -0.02 0.02 -1.58 0.70 0.00 0.00 175.22 174.66 2d8k s TRP 130 N -0.15 2.84 0.09 0.36 0.52 -1.26 -2.91 118.94 118.43 2d8k s TRP 130 Ca 0.03 -2.29 0.09 0.00 0.02 0.00 0.00 56.10 53.95 2d8k s TRP 130 Cb -0.03 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2d8k s TRP 130 CO -0.00 -0.88 -0.24 0.15 0.02 0.00 0.00 176.95 176.00 2d8k s LYS 131 N 1.23 1.37 -0.39 4.98 -0.14 -1.16 -5.00 119.74 120.64 2d8k s LYS 131 Ca 0.04 -1.19 -0.21 0.00 -1.36 0.00 0.00 55.97 53.25 2d8k s LYS 131 Cb -0.19 -1.69 0.01 0.00 -1.68 0.00 0.00 37.83 34.28 2d8k s LYS 131 CO -0.11 0.41 0.68 0.16 -0.76 0.00 0.00 175.35 175.73 2d8k s ASP 132 N -1.75 6.43 -0.50 2.83 -4.77 -1.26 -1.18 116.67 116.47 2d8k s ASP 132 Ca 0.10 0.06 -0.40 0.00 -3.30 0.00 0.00 52.55 49.01 2d8k s ASP 132 Cb -0.10 -2.35 -0.17 0.00 -1.09 0.00 0.00 42.92 39.22 2d8k s ASP 132 CO 0.04 -0.70 2.20 0.18 0.70 0.00 0.00 175.17 177.60 2d8k n LEU 133 N 6.24 1.12 -4.78 2.11 4.77 -0.21 -4.87 117.00 121.39 2d8k n LEU 133 Ca -0.00 0.54 -0.34 0.00 -0.03 0.00 0.00 56.01 56.19 2d8k n LEU 133 Cb 0.48 -1.01 0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2d8k n LEU 133 CO 0.52 -0.77 0.75 -0.54 -1.33 0.00 0.00 177.39 176.02 2d8k s LYS 134 N 6.35 3.04 -0.48 3.23 -0.14 -1.08 -4.59 119.74 126.07 2d8k s LYS 134 Ca 1.18 1.43 -0.28 0.00 -1.36 0.00 0.00 55.97 56.94 2d8k s LYS 134 Cb -1.28 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2d8k s LYS 134 CO 0.59 -1.07 1.78 -1.25 -0.76 0.00 0.00 175.35 174.65 2d8k s PRO 135 N -3.85 3.02 0.00 -1.68 0.04 -1.26 -2.58 135.00 128.69 2d8k s PRO 135 Ca 0.68 0.97 0.28 0.00 0.04 0.00 0.00 61.00 62.98 2d8k s PRO 135 Cb -0.21 -4.27 1.69 0.00 0.04 0.00 0.00 34.50 31.76 2d8k s PRO 135 CO 0.36 -2.25 2.07 0.45 0.04 0.00 0.00 177.00 177.68 2d8k n SER 136 N 11.30 0.00 0.00 6.66 2.88 -1.26 -4.98 113.62 128.22 2d8k n SER 136 Ca 0.21 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 2d8k n SER 136 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.90 0.27 0.17 0.46 0.00 -1.26 -4.63 105.19 101.10 2d8k n GLY 137 Ca 0.21 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.18 2d8k n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k h PRO 138 N 0.00 0.05 -1.93 1.61 0.13 -1.95 -3.44 132.00 126.47 2d8k h PRO 138 Ca 0.00 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 65.25 2d8k h PRO 138 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 2d8k h PRO 138 CO 0.00 0.52 0.60 0.45 -0.23 0.00 0.00 178.00 179.34 2d8k s SER 139 N -6.89 -0.30 0.33 1.44 0.15 -1.26 -4.47 113.70 102.70 2d8k s SER 139 Ca -0.03 0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.41 2d8k s SER 139 Cb 0.13 0.30 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 2d8k s SER 139 CO 0.75 -0.46 1.12 -0.94 1.20 0.00 0.00 173.24 174.91 2d8k s SER 140 N -2.17 6.96 0.00 5.45 1.04 -1.26 -5.07 113.70 118.65 2d8k s SER 140 Ca 0.05 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2d8k s SER 140 Cb -0.01 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2d8k s SER 140 CO -0.06 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.41