#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 -0.74 0.22 1.61 0.15 -1.26 -5.14 113.70 108.54 2d8k s SER 2 Ca 0.00 1.40 -0.31 0.00 0.70 0.00 0.00 55.95 57.74 2d8k s SER 2 Cb 0.00 1.40 -0.11 0.00 -1.71 0.00 0.00 66.02 65.60 2d8k s SER 2 CO 0.00 -0.24 1.62 -0.94 1.20 0.00 0.00 173.24 174.88 2d8k s SER 3 N 0.54 6.47 0.05 5.45 1.04 -1.26 -5.00 113.70 120.99 2d8k s SER 3 Ca -0.01 2.79 -0.11 0.00 0.48 0.00 0.00 55.95 59.10 2d8k s SER 3 Cb -0.05 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.47 2d8k s SER 3 CO -0.02 -0.89 0.23 -0.83 0.98 0.00 0.00 173.24 172.71 2d8k s GLY 4 N 0.93 -0.01 -0.01 7.32 0.00 -1.26 -5.16 107.32 109.12 2d8k s GLY 4 Ca 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2d8k s GLY 4 CO 0.37 -0.42 -0.00 -1.35 0.00 0.00 0.00 173.10 171.69 2d8k s SER 5 N -2.18 0.24 1.33 1.64 1.04 -1.26 -5.15 113.70 109.36 2d8k s SER 5 Ca -0.04 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.19 2d8k s SER 5 Cb -0.00 -0.09 0.33 0.00 0.10 0.00 0.00 66.02 66.36 2d8k s SER 5 CO -0.05 -0.05 0.86 -1.54 0.98 0.00 0.00 173.24 173.45 2d8k n SER 6 N 3.60 -3.15 0.00 7.02 3.41 -1.26 -5.02 113.62 118.22 2d8k n SER 6 Ca -0.20 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2d8k n SER 6 Cb 0.55 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2d8k n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 7 N 1.61 4.58 3.78 5.00 0.00 -1.26 -5.19 105.19 113.71 2d8k n GLY 7 Ca 0.08 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2d8k n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 8 N 0.00 -0.09 -1.39 1.61 0.01 -1.26 -4.97 113.70 107.60 2d8k s SER 8 Ca 0.00 -0.86 -0.06 0.00 1.31 0.00 0.00 55.95 56.34 2d8k s SER 8 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2d8k s SER 8 CO 0.00 -1.41 0.37 0.54 0.41 0.00 0.00 173.24 173.16 2d8k n ARG 9 N -0.47 -2.05 -1.09 12.44 3.00 -1.26 -4.93 116.66 122.30 2d8k n ARG 9 Ca -0.05 0.28 -0.28 0.00 -0.01 0.00 0.00 57.85 57.80 2d8k n ARG 9 Cb 0.60 -3.99 0.23 0.00 0.00 0.00 0.00 32.46 29.30 2d8k n ARG 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2d8k n GLU 10 N -4.50 -2.82 -3.00 5.56 -0.58 -1.26 -4.96 120.64 109.08 2d8k n GLU 10 Ca -0.27 -1.69 -0.41 0.00 -0.42 0.00 0.00 57.16 54.37 2d8k n GLU 10 Cb 0.67 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 2d8k n GLU 10 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2d8k n ASN 11 N -4.66 6.30 -1.59 1.62 6.94 -1.26 -4.82 115.26 117.78 2d8k n ASN 11 Ca 0.15 -3.46 -0.10 0.00 -0.02 0.00 0.00 54.58 51.15 2d8k n ASN 11 Cb 0.56 -1.20 0.04 0.00 -2.36 0.00 0.00 39.78 36.82 2d8k n ASN 11 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2d8k n LEU 12 N 1.09 5.21 0.00 -4.53 7.99 -1.26 -4.70 117.00 120.80 2d8k n LEU 12 Ca 0.29 -2.62 0.01 0.00 -0.01 0.00 0.00 56.01 53.68 2d8k n LEU 12 Cb 0.33 -0.86 -0.00 0.00 -0.11 0.00 0.00 43.42 42.78 2d8k n LEU 12 CO 0.67 0.93 -0.02 0.61 -1.51 0.00 0.00 177.39 178.08 2d8k n GLY 13 N 0.35 -0.80 3.31 -0.72 0.00 -0.72 -4.35 105.19 102.27 2d8k n GLY 13 Ca 0.20 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.16 1.24 -0.03 1.61 1.70 -0.97 -1.67 118.95 120.67 2d8k s ARG 14 Ca 0.00 -1.56 0.04 0.00 -0.47 0.00 0.00 55.73 53.74 2d8k s ARG 14 Cb 0.00 -0.84 -0.00 0.00 -0.57 0.00 0.00 34.95 33.53 2d8k s ARG 14 CO 0.00 0.09 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.66 2d8k s ILE 15 N -3.19 1.22 -0.13 4.99 2.07 -0.43 -3.00 121.20 122.72 2d8k s ILE 15 Ca 0.21 -0.62 0.00 0.00 -1.41 0.00 0.00 60.65 58.84 2d8k s ILE 15 Cb 0.02 -1.04 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 2d8k s ILE 15 CO 0.05 0.35 -0.14 -1.58 -1.91 0.00 0.00 174.94 171.71 2d8k s GLN 16 N -0.07 3.34 -0.02 3.50 0.74 -1.14 -3.27 119.66 122.75 2d8k s GLN 16 Ca -0.00 -0.71 -0.16 0.00 0.05 0.00 0.00 55.36 54.54 2d8k s GLN 16 Cb -0.09 -2.61 0.03 0.00 1.10 0.00 0.00 33.01 31.44 2d8k s GLN 16 CO 0.01 0.18 0.33 -0.59 -0.55 0.00 0.00 175.29 174.67 2d8k s PHE 17 N 0.41 -0.21 0.08 1.67 -0.71 -1.21 -1.45 117.98 116.57 2d8k s PHE 17 Ca -0.11 0.31 0.01 0.00 -1.04 0.00 0.00 56.93 56.11 2d8k s PHE 17 Cb -0.16 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 2d8k s PHE 17 CO 0.05 -0.40 0.20 -1.54 -1.34 0.00 0.00 175.22 172.19 2d8k s SER 18 N -1.31 6.19 -0.03 1.98 1.04 0.66 -2.40 113.70 119.83 2d8k s SER 18 Ca -0.13 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.51 2d8k s SER 18 Cb -0.05 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 64.22 2d8k s SER 18 CO 0.04 0.15 -0.07 -0.69 0.98 0.00 0.00 173.24 173.65 2d8k s VAL 19 N -1.54 0.66 -0.30 5.02 1.01 -0.87 -2.80 120.40 121.58 2d8k s VAL 19 Ca 0.34 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 2d8k s VAL 19 Cb -0.12 -0.61 0.17 0.00 0.00 0.00 0.00 36.38 35.82 2d8k s VAL 19 CO 0.27 0.22 1.08 -0.83 0.00 0.00 0.00 175.10 175.84 2d8k s GLY 20 N 0.38 -0.07 0.12 4.51 0.00 -1.06 -1.08 107.32 110.12 2d8k s GLY 20 Ca -0.05 3.20 -0.01 0.00 0.00 0.00 0.00 44.72 47.85 2d8k s GLY 20 CO 0.00 3.32 0.31 -0.47 0.00 0.00 0.00 173.10 176.26 2d8k s TYR 21 N 2.38 3.49 0.09 1.90 5.04 -1.16 -1.32 117.35 127.77 2d8k s TYR 21 Ca -0.01 0.36 0.05 0.00 -2.44 0.00 0.00 57.07 55.02 2d8k s TYR 21 Cb -0.05 -1.85 -0.04 0.00 0.35 0.00 0.00 41.96 40.37 2d8k s TYR 21 CO -0.17 0.49 -0.02 1.21 -1.34 0.00 0.00 175.55 175.72 2d8k s ASN 22 N -2.68 4.91 0.00 4.32 3.84 0.24 -4.69 114.94 120.88 2d8k s ASN 22 Ca 0.38 -0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.24 2d8k s ASN 22 Cb -0.12 -1.13 0.00 0.00 -0.55 0.00 0.00 41.25 39.44 2d8k s ASN 22 CO 0.27 0.18 0.00 0.49 -2.79 0.00 0.00 177.10 175.25 2d8k n PHE 23 N 0.64 0.00 -0.35 0.43 3.72 -1.26 -2.22 117.46 118.42 2d8k n PHE 23 Ca -0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.25 2d8k n PHE 23 Cb 0.52 -0.18 0.01 0.00 -0.94 0.00 0.00 39.48 38.89 2d8k n PHE 23 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2d8k h GLN 24 N 0.00 -0.03 0.00 -1.08 3.07 -2.00 0.84 115.11 115.91 2d8k h GLN 24 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 2d8k h GLN 24 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 2d8k h GLN 24 CO 0.00 -0.02 -0.29 0.93 0.09 0.00 0.00 178.83 179.53 2d8k h GLU 25 N -0.04 0.00 -6.09 0.06 5.08 -2.01 -3.47 114.58 108.11 2d8k h GLU 25 Ca 0.30 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.24 2d8k h GLU 25 Cb 0.57 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.87 2d8k h GLU 25 CO -0.93 0.29 -0.84 -1.13 -1.00 0.00 0.00 179.01 175.40 2d8k n SER 26 N -3.31 -1.53 -4.12 1.42 3.41 0.29 -4.96 113.62 104.83 2d8k n SER 26 Ca 0.01 -0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 57.66 2d8k n SER 26 Cb 0.53 -4.01 -0.11 0.00 -0.26 0.00 0.00 64.21 60.36 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d8k s THR 27 N -3.66 0.68 -0.14 6.66 2.01 -1.15 -4.46 115.64 115.58 2d8k s THR 27 Ca 0.04 -1.42 -0.12 0.00 0.31 0.00 0.00 61.69 60.50 2d8k s THR 27 Cb -0.01 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 2d8k s THR 27 CO 0.82 -0.54 0.26 -0.22 -0.69 0.00 0.00 174.62 174.25 2d8k s LEU 28 N -2.13 4.29 -0.29 4.42 2.96 -1.21 -0.59 118.68 126.13 2d8k s LEU 28 Ca -0.01 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.37 2d8k s LEU 28 Cb -0.05 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.35 2d8k s LEU 28 CO -0.01 0.19 0.03 -0.89 -1.32 0.00 0.00 176.35 174.35 2d8k s THR 29 N 0.03 3.51 -0.30 3.68 2.01 -0.44 -2.89 115.64 121.25 2d8k s THR 29 Ca 0.16 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2d8k s THR 29 Cb -0.13 -2.84 0.08 0.00 0.01 0.00 0.00 72.50 69.62 2d8k s THR 29 CO 0.04 0.07 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.33 2d8k s VAL 30 N 1.41 2.35 -0.33 3.82 1.01 -0.90 -2.57 120.40 125.19 2d8k s VAL 30 Ca 0.01 -1.90 -0.10 0.00 0.00 0.00 0.00 61.98 59.98 2d8k s VAL 30 Cb -0.17 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2d8k s VAL 30 CO -0.00 -0.29 0.17 -0.75 0.00 0.00 0.00 175.10 174.24 2d8k s LYS 31 N 1.04 3.19 -0.77 2.72 2.20 -1.12 -1.52 119.74 125.49 2d8k s LYS 31 Ca -0.00 -0.82 -0.23 0.00 -0.36 0.00 0.00 55.97 54.56 2d8k s LYS 31 Cb -0.20 -3.63 0.07 0.00 -1.51 0.00 0.00 37.83 32.56 2d8k s LYS 31 CO -0.06 -0.50 1.11 0.42 -0.36 0.00 0.00 175.35 175.96 2d8k s ILE 32 N 1.60 4.25 0.00 5.43 -1.09 -1.18 -0.24 121.20 129.97 2d8k s ILE 32 Ca 0.04 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 2d8k s ILE 32 Cb -0.18 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 35.92 2d8k s ILE 32 CO 0.07 -1.60 0.69 0.23 -1.23 0.00 0.00 174.94 173.10 2d8k n MET 33 N 7.92 0.00 -2.99 2.79 2.81 -0.53 -0.16 117.12 126.96 2d8k n MET 33 Ca 0.07 0.58 0.01 0.00 -1.81 0.00 0.00 57.70 56.55 2d8k n MET 33 Cb 0.47 -1.19 0.01 0.00 -0.71 0.00 0.00 33.22 31.80 2d8k n MET 33 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2d8k n LYS 34 N -1.61 0.13 -4.35 0.03 0.00 -1.21 -1.97 118.16 109.19 2d8k n LYS 34 Ca 0.00 -0.47 -0.26 0.00 -0.00 0.00 0.00 58.31 57.58 2d8k n LYS 34 Cb 0.00 0.75 -0.12 0.00 -0.00 0.00 0.00 35.03 35.66 2d8k n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2d8k s ALA 35 N -1.55 2.13 0.03 0.58 0.00 -1.08 -2.87 121.76 119.00 2d8k s ALA 35 Ca 0.16 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 2d8k s ALA 35 Cb -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2d8k s ALA 35 CO 0.00 0.40 0.23 -0.65 0.00 0.00 0.00 175.76 175.74 2d8k s GLN 36 N -2.22 0.71 -1.38 0.00 -0.21 -1.16 -4.18 119.66 111.21 2d8k s GLN 36 Ca 0.12 -0.55 -0.09 0.00 0.02 0.00 0.00 55.36 54.87 2d8k s GLN 36 Cb -0.09 0.30 0.03 0.00 1.00 0.00 0.00 33.01 34.24 2d8k s GLN 36 CO 0.06 -0.21 1.10 0.39 -2.12 0.00 0.00 175.29 174.52 2d8k n GLU 37 N 0.75 -7.18 -3.24 2.91 1.02 -1.26 -2.28 120.64 111.37 2d8k n GLU 37 Ca -0.19 0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 57.33 2d8k n GLU 37 Cb 0.59 -5.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.18 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 -7.18 4.29 0.75 -4.62 1.43 -1.26 -1.75 118.68 110.33 2d8k s LEU 38 Ca 0.52 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 2d8k s LEU 38 Cb -0.24 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.22 2d8k s LEU 38 CO 0.76 -0.03 1.10 -2.16 0.23 0.00 0.00 176.35 176.24 2d8k s PRO 39 N 0.66 2.37 -0.27 1.29 0.04 -1.26 -4.89 135.00 132.94 2d8k s PRO 39 Ca 0.29 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 2d8k s PRO 39 Cb -0.16 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2d8k s PRO 39 CO 0.13 -1.56 0.08 0.00 0.04 0.00 0.00 177.00 175.69 2d8k s ALA 40 N -2.78 3.15 -0.24 8.56 0.00 -1.26 -4.91 121.76 124.27 2d8k s ALA 40 Ca 0.62 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 2d8k s ALA 40 Cb -0.18 -2.13 -0.16 0.00 0.00 0.00 0.00 23.12 20.65 2d8k s ALA 40 CO 0.53 -0.63 3.34 1.63 0.00 0.00 0.00 175.76 180.62 2d8k n LYS 41 N 4.92 2.26 -3.64 0.00 4.76 -1.26 -4.81 118.16 120.39 2d8k n LYS 41 Ca -0.16 -1.48 -0.03 0.00 -2.87 0.00 0.00 58.31 53.77 2d8k n LYS 41 Cb 0.50 -2.10 -0.01 0.00 -1.84 0.00 0.00 35.03 31.58 2d8k n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d8k s ASP 42 N 1.53 -0.17 0.01 4.39 2.15 -1.26 -5.01 116.67 118.31 2d8k s ASP 42 Ca 0.65 -0.18 -0.22 0.00 0.43 0.00 0.00 52.55 53.22 2d8k s ASP 42 Cb 0.33 0.32 -0.12 0.00 -0.30 0.00 0.00 42.92 43.14 2d8k s ASP 42 CO -0.07 -0.57 1.03 0.15 -0.17 0.00 0.00 175.17 175.55 2d8k h PHE 43 N 2.00 -0.73 -0.93 -5.34 3.57 -1.92 -3.24 116.94 110.34 2d8k h PHE 43 Ca -0.23 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.43 2d8k h PHE 43 Cb 1.21 0.24 -0.17 0.00 2.79 0.00 0.00 35.95 40.02 2d8k h PHE 43 CO 0.32 -0.45 -0.27 0.77 -2.23 0.00 0.00 178.31 176.45 2d8k h SER 44 N -1.03 -1.01 0.00 0.41 0.02 -1.98 -3.45 113.55 106.51 2d8k h SER 44 Ca -0.08 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2d8k h SER 44 Cb 0.60 0.62 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2d8k h SER 44 CO 0.13 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.13 2d8k n GLY 45 N -1.56 1.91 3.46 -3.77 0.00 -1.22 -5.14 105.19 98.86 2d8k n GLY 45 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2d8k n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d8k s THR 46 N -2.00 2.66 0.22 2.61 -4.23 -1.26 -4.74 115.64 108.89 2d8k s THR 46 Ca 0.00 -1.61 -0.22 0.00 -1.18 0.00 0.00 61.69 58.68 2d8k s THR 46 Cb 0.00 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.67 2d8k s THR 46 CO 0.00 0.08 0.65 -0.44 -0.54 0.00 0.00 174.62 174.37 2d8k s SER 47 N -2.17 -0.40 -0.90 3.99 0.01 -1.26 -4.47 113.70 108.49 2d8k s SER 47 Ca 0.17 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 2d8k s SER 47 Cb -0.10 0.66 0.22 0.00 0.21 0.00 0.00 66.02 67.01 2d8k s SER 47 CO 0.09 -1.15 0.79 -1.81 0.41 0.00 0.00 173.24 171.57 2d8k s ASP 48 N -2.84 6.04 0.32 2.44 1.01 -1.26 -2.71 116.67 119.67 2d8k s ASP 48 Ca 0.06 -3.74 -0.29 0.00 0.71 0.00 0.00 52.55 49.30 2d8k s ASP 48 Cb -0.03 -1.91 -0.10 0.00 1.01 0.00 0.00 42.92 41.89 2d8k s ASP 48 CO -0.03 -0.18 1.22 -2.16 0.21 0.00 0.00 175.17 174.23 2d8k s PRO 49 N -1.38 4.42 -0.08 8.23 0.04 -1.25 0.14 135.00 145.12 2d8k s PRO 49 Ca 0.28 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 2d8k s PRO 49 Cb -0.07 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.42 2d8k s PRO 49 CO -0.13 -0.07 0.22 -0.59 0.04 0.00 0.00 177.00 176.48 2d8k s PHE 50 N -1.18 -0.24 0.06 0.56 -0.12 -0.29 -3.93 117.98 112.84 2d8k s PHE 50 Ca 0.48 0.58 -0.22 0.00 -0.05 0.00 0.00 56.93 57.72 2d8k s PHE 50 Cb -0.36 0.08 -0.06 0.00 -0.63 0.00 0.00 43.02 42.05 2d8k s PHE 50 CO 0.47 -0.13 0.65 0.08 -0.05 0.00 0.00 175.22 176.25 2d8k s VAL 51 N 0.06 4.73 -0.23 -2.49 1.01 -1.26 -2.20 120.40 120.02 2d8k s VAL 51 Ca -0.01 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.38 2d8k s VAL 51 Cb -0.02 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.42 2d8k s VAL 51 CO 0.00 0.47 -0.11 -0.75 0.00 0.00 0.00 175.10 174.71 2d8k s LYS 52 N -0.60 2.16 0.17 2.72 2.20 0.46 -1.18 119.74 125.66 2d8k s LYS 52 Ca 0.33 -1.07 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 2d8k s LYS 52 Cb -0.20 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.39 2d8k s LYS 52 CO 0.20 -0.49 0.60 0.42 -0.36 0.00 0.00 175.35 175.72 2d8k s ILE 53 N 1.26 4.77 -0.22 5.43 1.01 0.29 -1.59 121.20 132.16 2d8k s ILE 53 Ca -0.05 0.96 -0.07 0.00 0.00 0.00 0.00 60.65 61.49 2d8k s ILE 53 Cb -0.18 -3.77 0.10 0.00 0.01 0.00 0.00 42.46 38.62 2d8k s ILE 53 CO -0.07 0.23 0.47 -0.31 0.00 0.00 0.00 174.94 175.26 2d8k s TYR 54 N -1.48 -0.92 -0.98 3.97 1.51 -0.33 -2.79 117.35 116.34 2d8k s TYR 54 Ca 0.39 1.68 -0.18 0.00 -1.01 0.00 0.00 57.07 57.96 2d8k s TYR 54 Cb -0.15 0.41 0.13 0.00 -0.11 0.00 0.00 41.96 42.24 2d8k s TYR 54 CO 0.20 -0.53 1.18 -0.51 -1.11 0.00 0.00 175.55 174.78 2d8k s LEU 55 N 2.67 5.02 0.52 -1.29 1.43 -1.26 -2.07 118.68 123.70 2d8k s LEU 55 Ca -0.02 -2.18 -0.19 0.00 -1.03 0.00 0.00 54.13 50.71 2d8k s LEU 55 Cb -0.12 -2.40 -0.07 0.00 0.03 0.00 0.00 46.19 43.63 2d8k s LEU 55 CO -0.14 -1.03 1.03 -0.76 0.23 0.00 0.00 176.35 175.69 2d8k s LEU 56 N 2.57 3.72 0.29 1.79 1.43 -1.14 -1.62 118.68 125.72 2d8k s LEU 56 Ca 0.35 1.85 0.08 0.00 -1.03 0.00 0.00 54.13 55.37 2d8k s LEU 56 Cb -0.04 -4.55 0.45 0.00 0.03 0.00 0.00 46.19 42.08 2d8k s LEU 56 CO -0.08 -0.86 1.68 1.55 0.23 0.00 0.00 176.35 178.87 2d8k h PRO 57 N 1.17 0.16 -3.95 1.29 0.13 -1.89 -2.47 132.00 126.44 2d8k h PRO 57 Ca -0.48 -0.09 -0.55 0.00 -0.87 0.00 0.00 66.00 64.01 2d8k h PRO 57 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2d8k h PRO 57 CO 0.59 0.60 0.64 -0.25 -0.23 0.00 0.00 178.00 179.35 2d8k n ASP 58 N -3.98 0.66 -1.69 1.44 8.00 -0.64 -4.81 116.55 115.54 2d8k n ASP 58 Ca -0.02 0.63 -0.17 0.00 0.71 0.00 0.00 54.79 55.94 2d8k n ASP 58 Cb 0.51 -0.58 0.10 0.00 -0.02 0.00 0.00 41.12 41.12 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2d8k n LYS 59 N 3.66 2.80 0.04 -1.24 4.76 -1.26 -4.01 118.16 122.91 2d8k n LYS 59 Ca 0.27 -3.70 0.00 0.00 -2.87 0.00 0.00 58.31 52.01 2d8k n LYS 59 Cb -0.03 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 2d8k n LYS 59 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2d8k n LYS 60 N -0.89 0.00 -2.77 1.97 3.00 -1.26 -4.92 118.16 113.29 2d8k n LYS 60 Ca 0.41 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.29 2d8k n LYS 60 Cb 0.91 -0.49 -0.03 0.00 0.00 0.00 0.00 35.03 35.42 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2d8k s HIS 61 N -2.00 2.87 0.12 5.64 3.76 -1.26 -4.97 115.29 119.45 2d8k s HIS 61 Ca 0.00 -1.18 0.07 0.00 -0.15 0.00 0.00 55.06 53.80 2d8k s HIS 61 Cb 0.00 -4.47 -0.04 0.00 1.11 0.00 0.00 32.58 29.19 2d8k s HIS 61 CO 0.00 -1.68 -0.16 -1.59 -0.85 0.00 0.00 174.74 170.46 2d8k s LYS 62 N 3.65 1.07 0.23 1.40 0.00 -1.26 -4.24 119.74 120.59 2d8k s LYS 62 Ca 0.39 -1.24 0.01 0.00 0.00 0.00 0.00 55.97 55.12 2d8k s LYS 62 Cb -0.03 -1.05 -0.05 0.00 0.00 0.00 0.00 37.83 36.70 2d8k s LYS 62 CO -0.09 0.21 0.09 -0.51 0.00 0.00 0.00 175.35 175.05 2d8k s LEU 63 N -2.37 1.62 0.25 2.77 1.02 -1.12 -5.02 118.68 115.82 2d8k s LEU 63 Ca 0.09 -1.34 -0.06 0.00 0.02 0.00 0.00 54.13 52.84 2d8k s LEU 63 Cb -0.06 0.10 -0.02 0.00 0.02 0.00 0.00 46.19 46.23 2d8k s LEU 63 CO 0.04 -0.73 0.34 -1.61 0.02 0.00 0.00 176.35 174.41 2d8k s GLU 64 N -4.04 1.47 0.55 1.70 8.01 -1.26 0.11 118.70 125.24 2d8k s GLU 64 Ca 0.35 -1.49 0.08 0.00 0.01 0.00 0.00 54.97 53.92 2d8k s GLU 64 Cb 0.07 0.39 0.07 0.00 -4.31 0.00 0.00 34.13 30.35 2d8k s GLU 64 CO 0.11 -0.57 0.76 0.95 0.01 0.00 0.00 175.26 176.52 2d8k s THR 65 N -3.92 2.36 1.21 3.63 -4.23 -0.33 -4.95 115.64 109.41 2d8k s THR 65 Ca 0.30 -0.95 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 2d8k s THR 65 Cb 0.02 -2.41 0.29 0.00 1.34 0.00 0.00 72.50 71.74 2d8k s THR 65 CO 0.12 0.00 1.02 -0.54 -0.54 0.00 0.00 174.62 174.68 2d8k s LYS 66 N -4.64 -1.24 -0.23 3.99 -0.14 -1.26 -4.65 119.74 111.57 2d8k s LYS 66 Ca 0.61 0.53 0.01 0.00 -1.36 0.00 0.00 55.97 55.76 2d8k s LYS 66 Cb -0.07 -1.54 0.04 0.00 -1.68 0.00 0.00 37.83 34.58 2d8k s LYS 66 CO 0.38 -3.86 -0.13 0.08 -0.76 0.00 0.00 175.35 171.06 2d8k s VAL 67 N -2.55 2.30 -0.24 3.17 1.01 -1.26 -4.55 120.40 118.27 2d8k s VAL 67 Ca 0.68 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2d8k s VAL 67 Cb -0.20 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2d8k s VAL 67 CO 0.62 0.24 0.11 -0.54 0.00 0.00 0.00 175.10 175.53 2d8k s LYS 68 N 1.23 3.88 0.26 2.72 -0.14 -1.25 -5.06 119.74 121.37 2d8k s LYS 68 Ca -0.01 -0.37 -0.10 0.00 -1.36 0.00 0.00 55.97 54.12 2d8k s LYS 68 Cb -0.17 -3.42 -0.07 0.00 -1.68 0.00 0.00 37.83 32.49 2d8k s LYS 68 CO -0.08 -0.03 0.60 1.03 -0.76 0.00 0.00 175.35 176.10 2d8k s ARG 69 N 1.26 3.83 -1.48 1.68 1.81 -1.26 -3.76 118.95 121.03 2d8k s ARG 69 Ca 0.06 0.34 -0.11 0.00 -1.72 0.00 0.00 55.73 54.30 2d8k s ARG 69 Cb -0.14 -2.59 0.06 0.00 -0.45 0.00 0.00 34.95 31.83 2d8k s ARG 69 CO 0.05 0.26 0.88 1.63 -0.68 0.00 0.00 175.30 177.44 2d8k n LYS 70 N -0.29 -5.37 -3.62 3.54 5.02 -1.20 -4.96 118.16 111.27 2d8k n LYS 70 Ca 0.01 0.65 -0.16 0.00 -2.02 0.00 0.00 58.31 56.79 2d8k n LYS 70 Cb 0.53 -5.53 -0.14 0.00 -0.02 0.00 0.00 35.03 29.87 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2d8k s ASN 71 N -3.12 0.73 -0.14 4.39 -0.87 -1.10 -4.89 114.94 109.94 2d8k s ASN 71 Ca 0.57 0.31 0.09 0.00 -1.57 0.00 0.00 52.86 52.26 2d8k s ASN 71 Cb -0.28 0.48 -0.23 0.00 -0.02 0.00 0.00 41.25 41.20 2d8k s ASN 71 CO 0.70 -0.26 0.30 0.18 -2.57 0.00 0.00 177.10 175.45 2d8k n LEU 72 N 5.33 1.31 -2.56 0.60 4.77 -1.26 -4.13 117.00 121.07 2d8k n LEU 72 Ca -0.05 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 2d8k n LEU 72 Cb 0.50 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2d8k n LEU 72 CO 0.04 0.60 0.35 0.59 -1.33 0.00 0.00 177.39 177.65 2d8k n ASN 73 N -3.09 5.04 -4.70 -1.43 3.02 -1.26 -4.31 115.26 108.53 2d8k n ASN 73 Ca -0.29 -3.73 -0.29 0.00 -0.03 0.00 0.00 54.58 50.24 2d8k n ASN 73 Cb 1.07 -0.54 0.15 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.95 -0.18 3.52 0.04 -1.26 -4.73 135.00 129.74 2d8k s PRO 74 Ca 0.48 0.71 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2d8k s PRO 74 Cb 0.40 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 33.18 2d8k s PRO 74 CO -0.21 -2.42 -0.14 -3.38 0.04 0.00 0.00 177.00 170.88 2d8k s HIS 75 N -2.95 2.46 -0.19 0.56 -3.43 -1.26 -2.62 115.29 107.86 2d8k s HIS 75 Ca 0.64 -1.50 -0.18 0.00 -0.80 0.00 0.00 55.06 53.22 2d8k s HIS 75 Cb -0.18 -1.71 -0.14 0.00 -1.43 0.00 0.00 32.58 29.11 2d8k s HIS 75 CO 0.57 -0.74 0.10 -1.49 -2.00 0.00 0.00 174.74 171.18 2d8k h TRP 76 N 7.98 0.00 -4.84 0.38 6.55 -1.71 -3.48 115.95 120.83 2d8k h TRP 76 Ca -0.36 0.00 -0.27 0.00 0.95 0.00 0.00 58.89 59.21 2d8k h TRP 76 Cb 1.12 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.37 2d8k h TRP 76 CO 0.49 1.03 -0.38 0.09 -1.05 0.00 0.00 178.44 178.61 2d8k n ASN 77 N -4.49 -3.25 -4.43 -3.49 4.13 0.77 -4.93 115.26 99.58 2d8k n ASN 77 Ca -0.24 -0.05 -0.28 0.00 1.68 0.00 0.00 54.58 55.69 2d8k n ASN 77 Cb 0.55 -2.75 0.14 0.00 -1.54 0.00 0.00 39.78 36.18 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2d8k s GLU 78 N -5.52 1.20 -0.06 3.52 0.41 -1.25 -4.85 118.70 112.15 2d8k s GLU 78 Ca 0.20 -0.53 -0.01 0.00 -0.41 0.00 0.00 54.97 54.22 2d8k s GLU 78 Cb -0.11 -2.02 0.03 0.00 -1.78 0.00 0.00 34.13 30.25 2d8k s GLU 78 CO 0.24 -1.96 -0.00 0.99 -0.49 0.00 0.00 175.26 174.04 2d8k s THR 79 N -3.60 0.34 -0.03 3.63 2.01 -1.26 -3.08 115.64 113.65 2d8k s THR 79 Ca 0.69 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 2d8k s THR 79 Cb -0.06 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2d8k s THR 79 CO 0.49 0.24 0.05 -0.36 -0.69 0.00 0.00 174.62 174.35 2d8k s PHE 80 N 1.74 3.23 -0.06 4.92 0.40 -0.58 -4.94 117.98 122.69 2d8k s PHE 80 Ca 0.01 0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 2d8k s PHE 80 Cb -0.13 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.67 2d8k s PHE 80 CO -0.04 0.52 -0.07 -0.51 0.70 0.00 0.00 175.22 175.82 2d8k s LEU 81 N -1.41 1.40 -0.35 -0.37 1.43 -1.25 -2.12 118.68 116.01 2d8k s LEU 81 Ca 0.19 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2d8k s LEU 81 Cb -0.12 -0.60 0.10 0.00 0.03 0.00 0.00 46.19 45.60 2d8k s LEU 81 CO 0.09 -0.03 0.08 -0.36 0.23 0.00 0.00 176.35 176.36 2d8k s PHE 82 N 0.91 3.63 -0.00 0.29 0.08 -1.14 -4.94 117.98 116.81 2d8k s PHE 82 Ca -0.11 -2.68 -0.08 0.00 0.12 0.00 0.00 56.93 54.18 2d8k s PHE 82 Cb -0.15 -2.88 -0.05 0.00 -0.57 0.00 0.00 43.02 39.37 2d8k s PHE 82 CO 0.01 -0.94 0.29 -1.21 -0.10 0.00 0.00 175.22 173.26 2d8k s GLU 83 N 1.02 3.63 0.00 0.44 2.02 -1.26 -3.34 118.70 121.21 2d8k s GLU 83 Ca 0.07 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.08 2d8k s GLU 83 Cb -0.20 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.92 2d8k s GLU 83 CO -0.06 0.66 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2d8k n GLY 84 N 1.31 0.76 3.03 -1.39 0.00 -1.26 -5.08 105.19 102.56 2d8k n GLY 84 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 2.75 0.38 1.61 0.40 -1.26 -5.11 117.98 114.75 2d8k s PHE 85 Ca 0.00 -1.87 -0.26 0.00 -0.60 0.00 0.00 56.93 54.20 2d8k s PHE 85 Cb 0.00 -1.77 -0.09 0.00 0.51 0.00 0.00 43.02 41.67 2d8k s PHE 85 CO 0.00 -0.80 1.20 -1.25 0.70 0.00 0.00 175.22 175.07 2d8k s PRO 86 N 1.28 4.15 0.25 0.24 0.04 -1.26 -4.69 135.00 135.01 2d8k s PRO 86 Ca -0.04 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 2d8k s PRO 86 Cb -0.17 -2.80 0.49 0.00 0.04 0.00 0.00 34.50 32.05 2d8k s PRO 86 CO -0.08 -0.26 1.66 -0.92 0.04 0.00 0.00 177.00 177.44 2d8k h TYR 87 N 2.89 0.18 -0.78 0.56 5.03 -1.90 0.68 116.97 123.62 2d8k h TYR 87 Ca -0.49 0.05 0.23 0.00 2.58 0.00 0.00 58.73 61.10 2d8k h TYR 87 Cb 1.23 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.52 2d8k h TYR 87 CO 0.55 -0.16 0.63 1.05 -1.32 0.00 0.00 178.16 178.92 2d8k h GLU 88 N 0.20 0.00 0.00 1.82 4.11 -2.01 -1.41 114.58 117.29 2d8k h GLU 88 Ca 0.43 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.64 2d8k h GLU 88 Cb 0.78 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2d8k h GLU 88 CO -0.58 0.00 -1.52 1.63 0.07 0.00 0.00 179.01 178.61 2d8k n LYS 89 N -4.03 0.55 -0.58 1.06 5.02 0.20 -4.24 118.16 116.13 2d8k n LYS 89 Ca 0.16 0.38 0.47 0.00 -2.02 0.00 0.00 58.31 57.30 2d8k n LYS 89 Cb 0.91 -1.58 0.80 0.00 -0.02 0.00 0.00 35.03 35.14 2d8k n LYS 89 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2d8k h VAL 90 N -1.00 0.14 -0.41 -0.18 3.04 -0.14 1.13 116.25 118.83 2d8k h VAL 90 Ca -0.34 -0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.21 2d8k h VAL 90 Cb 1.21 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2d8k h VAL 90 CO -0.20 0.00 -0.30 -0.37 -1.01 0.00 0.00 177.57 175.68 2d8k h VAL 91 N 0.00 1.27 0.00 1.51 -1.51 -1.46 -2.65 116.25 113.42 2d8k h VAL 91 Ca 0.82 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2d8k h VAL 91 Cb 3.28 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 33.73 2d8k h VAL 91 CO -0.01 0.50 0.00 0.00 -1.23 0.00 0.00 177.57 176.83 2d8k n GLN 92 N -4.11 0.12 -2.54 5.19 6.02 0.39 -2.85 117.38 119.59 2d8k n GLN 92 Ca -0.02 0.41 -0.23 0.00 -0.01 0.00 0.00 57.00 57.15 2d8k n GLN 92 Cb 0.50 -1.75 0.04 0.00 1.02 0.00 0.00 30.24 30.06 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -3.23 2.57 0.01 -1.09 1.81 -1.00 -4.88 118.95 113.15 2d8k s ARG 93 Ca 0.04 -0.50 0.06 0.00 -1.72 0.00 0.00 55.73 53.60 2d8k s ARG 93 Cb 0.08 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 32.18 2d8k s ARG 93 CO 0.30 -0.79 -0.17 0.42 -0.68 0.00 0.00 175.30 174.38 2d8k s ILE 94 N -2.89 1.35 -0.20 1.52 1.01 -0.93 -2.87 121.20 118.19 2d8k s ILE 94 Ca 0.56 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 2d8k s ILE 94 Cb -0.10 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 2d8k s ILE 94 CO 0.41 0.26 0.96 -0.22 0.00 0.00 0.00 174.94 176.35 2d8k s LEU 95 N -0.72 4.13 -0.26 2.97 2.96 0.54 -2.89 118.68 125.41 2d8k s LEU 95 Ca 0.06 1.31 -0.00 0.00 -0.22 0.00 0.00 54.13 55.27 2d8k s LEU 95 Cb -0.07 -3.43 0.04 0.00 0.50 0.00 0.00 46.19 43.23 2d8k s LEU 95 CO 0.00 -0.56 -0.07 -0.47 -1.32 0.00 0.00 176.35 173.93 2d8k s TYR 96 N 2.78 3.14 -0.22 5.38 5.04 -0.88 -2.10 117.35 130.49 2d8k s TYR 96 Ca 0.42 -1.81 0.01 0.00 -2.44 0.00 0.00 57.07 53.25 2d8k s TYR 96 Cb -0.16 -2.03 0.03 0.00 0.35 0.00 0.00 41.96 40.15 2d8k s TYR 96 CO 0.09 -0.79 -0.15 -0.51 -1.34 0.00 0.00 175.55 172.85 2d8k s LEU 97 N 1.25 2.72 -0.13 6.97 1.43 -0.94 -1.18 118.68 128.81 2d8k s LEU 97 Ca -0.03 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2d8k s LEU 97 Cb -0.18 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2d8k s LEU 97 CO -0.04 -0.08 -0.21 -1.58 0.23 0.00 0.00 176.35 174.66 2d8k s GLN 98 N 1.23 2.90 -0.33 1.70 0.74 -0.62 -1.28 119.66 124.00 2d8k s GLN 98 Ca -0.00 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.50 2d8k s GLN 98 Cb -0.16 -2.33 0.01 0.00 1.10 0.00 0.00 33.01 31.63 2d8k s GLN 98 CO -0.09 0.00 0.15 0.08 -0.55 0.00 0.00 175.29 174.88 2d8k s VAL 99 N 0.79 4.40 0.43 1.34 1.01 -0.68 -0.40 120.40 127.28 2d8k s VAL 99 Ca -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2d8k s VAL 99 Cb -0.16 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2d8k s VAL 99 CO -0.01 -0.07 0.11 -0.76 0.00 0.00 0.00 175.10 174.38 2d8k s LEU 100 N 1.55 2.94 -0.48 3.92 1.02 -0.93 -2.51 118.68 124.18 2d8k s LEU 100 Ca 0.03 -1.25 -0.11 0.00 0.02 0.00 0.00 54.13 52.82 2d8k s LEU 100 Cb -0.18 -1.16 0.12 0.00 0.02 0.00 0.00 46.19 44.99 2d8k s LEU 100 CO 0.05 -0.56 0.38 -0.62 0.02 0.00 0.00 176.35 175.62 2d8k s ASP 101 N -3.85 5.82 -0.45 2.29 2.15 -1.26 -1.14 116.67 120.25 2d8k s ASP 101 Ca 0.35 -1.85 -0.27 0.00 0.43 0.00 0.00 52.55 51.21 2d8k s ASP 101 Cb 0.06 -2.06 -0.05 0.00 -0.30 0.00 0.00 42.92 40.57 2d8k s ASP 101 CO 0.19 -0.73 2.17 -0.47 -0.17 0.00 0.00 175.17 176.16 2d8k s TYR 102 N 1.43 1.32 -0.40 -5.34 5.04 0.12 -4.69 117.35 114.83 2d8k s TYR 102 Ca 0.05 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.79 2d8k s TYR 102 Cb -0.27 -3.83 0.11 0.00 0.35 0.00 0.00 41.96 38.32 2d8k s TYR 102 CO 0.00 -2.83 0.14 0.34 -1.34 0.00 0.00 175.55 171.86 2d8k s ASP 103 N 9.73 4.43 0.80 4.32 2.15 -1.26 -4.32 116.67 132.51 2d8k s ASP 103 Ca 0.89 -2.39 -0.16 0.00 0.43 0.00 0.00 52.55 51.32 2d8k s ASP 103 Cb -0.20 -1.47 -0.04 0.00 -0.30 0.00 0.00 42.92 40.91 2d8k s ASP 103 CO 0.27 -0.33 0.26 0.54 -0.17 0.00 0.00 175.17 175.75 2d8k n ARG 104 N 3.92 0.08 -4.22 4.34 5.12 -1.26 -2.15 116.66 122.49 2d8k n ARG 104 Ca 0.04 0.06 -0.35 0.00 -1.93 0.00 0.00 57.85 55.67 2d8k n ARG 104 Cb 0.38 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 2d8k n ARG 104 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2d8k n PHE 105 N -2.64 -1.64 -3.52 -1.55 3.72 -1.26 -4.90 117.46 105.67 2d8k n PHE 105 Ca 0.07 0.77 -0.08 0.00 -0.05 0.00 0.00 57.45 58.16 2d8k n PHE 105 Cb 0.51 -2.94 -0.02 0.00 -0.94 0.00 0.00 39.48 36.09 2d8k n PHE 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2d8k s SER 106 N -3.51 -0.35 0.60 4.37 0.15 -0.92 -5.16 113.70 108.88 2d8k s SER 106 Ca 0.60 0.06 -0.19 0.00 0.70 0.00 0.00 55.95 57.11 2d8k s SER 106 Cb -0.33 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2d8k s SER 106 CO 0.94 -0.56 1.24 -0.13 1.20 0.00 0.00 173.24 175.93 2d8k s ARG 107 N -2.81 2.90 -1.05 5.44 1.81 -1.26 -4.75 118.95 119.22 2d8k s ARG 107 Ca 0.04 1.92 -0.06 0.00 -1.72 0.00 0.00 55.73 55.92 2d8k s ARG 107 Cb -0.01 -1.95 0.28 0.00 -0.45 0.00 0.00 34.95 32.82 2d8k s ARG 107 CO -0.07 -1.28 1.16 0.09 -0.68 0.00 0.00 175.30 174.52 2d8k n ASN 108 N -1.59 5.53 -4.66 0.23 3.02 -1.26 -4.70 115.26 111.83 2d8k n ASN 108 Ca 0.14 -3.19 -0.42 0.00 -0.03 0.00 0.00 54.58 51.08 2d8k n ASN 108 Cb 0.49 -1.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 2d8k n ASN 108 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2d8k s ASP 109 N -0.02 6.77 0.05 6.41 -1.08 -1.26 -4.91 116.67 122.64 2d8k s ASP 109 Ca 0.31 2.06 -0.31 0.00 -0.52 0.00 0.00 52.55 54.09 2d8k s ASP 109 Cb -0.04 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 38.81 2d8k s ASP 109 CO -0.03 -0.85 1.41 -2.16 0.52 0.00 0.00 175.17 174.06 2d8k s PRO 110 N 3.62 4.30 -0.05 4.34 0.04 -1.26 -3.98 135.00 142.01 2d8k s PRO 110 Ca 0.66 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.67 2d8k s PRO 110 Cb -0.30 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 2d8k s PRO 110 CO 0.25 -0.52 0.30 0.82 0.04 0.00 0.00 177.00 177.89 2d8k h ILE 111 N 4.63 0.00 -3.34 0.56 2.04 -1.85 -3.43 117.51 116.12 2d8k h ILE 111 Ca -0.40 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2d8k h ILE 111 Cb 1.19 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 2d8k h ILE 111 CO 0.89 0.00 -0.03 -0.83 0.00 0.00 0.00 178.15 178.17 2d8k s GLY 112 N -2.78 -0.31 0.05 5.37 0.00 -1.19 -3.65 107.32 104.81 2d8k s GLY 112 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2d8k s GLY 112 CO 0.09 -0.25 -0.04 -1.83 0.00 0.00 0.00 173.10 171.07 2d8k s GLU 113 N -3.80 0.53 0.01 2.90 4.04 -0.35 -1.69 118.70 120.35 2d8k s GLU 113 Ca 0.03 -0.98 0.02 0.00 0.04 0.00 0.00 54.97 54.08 2d8k s GLU 113 Cb 0.01 0.05 -0.01 0.00 0.02 0.00 0.00 34.13 34.21 2d8k s GLU 113 CO -0.12 -0.06 -0.06 0.08 -1.84 0.00 0.00 175.26 173.27 2d8k s VAL 114 N -2.74 0.44 -0.07 1.83 1.01 -0.40 -1.89 120.40 118.59 2d8k s VAL 114 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2d8k s VAL 114 Cb -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 2d8k s VAL 114 CO -0.05 -0.06 -0.13 -0.94 0.00 0.00 0.00 175.10 173.92 2d8k s SER 115 N -0.63 1.86 -0.16 3.32 1.04 -1.26 -2.20 113.70 115.67 2d8k s SER 115 Ca -0.02 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 2d8k s SER 115 Cb -0.05 -0.84 0.07 0.00 0.10 0.00 0.00 66.02 65.30 2d8k s SER 115 CO 0.00 0.05 0.34 -0.63 0.98 0.00 0.00 173.24 173.97 2d8k s ILE 116 N 0.61 -0.43 -0.08 -1.02 1.01 -0.89 -4.99 121.20 115.40 2d8k s ILE 116 Ca -0.14 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 2d8k s ILE 116 Cb -0.16 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2d8k s ILE 116 CO 0.04 0.09 1.51 -2.16 0.00 0.00 0.00 174.94 174.42 2d8k s PRO 117 N 2.29 4.21 0.15 2.79 0.04 -1.26 -0.34 135.00 142.88 2d8k s PRO 117 Ca -0.02 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.15 2d8k s PRO 117 Cb -0.11 -3.88 0.61 0.00 0.04 0.00 0.00 34.50 31.15 2d8k s PRO 117 CO -0.11 -0.78 1.36 1.28 0.04 0.00 0.00 177.00 178.80 2d8k n LEU 118 N 6.80 0.28 0.16 -3.56 4.77 -1.14 -0.99 117.00 123.33 2d8k n LEU 118 Ca 0.16 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.80 2d8k n LEU 118 Cb 0.43 -0.64 0.16 0.00 -2.33 0.00 0.00 43.42 41.04 2d8k n LEU 118 CO 0.60 -0.68 0.56 -1.13 -1.33 0.00 0.00 177.39 175.42 2d8k h ASN 119 N 0.00 0.00 0.11 -1.43 -1.24 -1.73 -3.27 115.58 108.02 2d8k h ASN 119 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.81 2d8k h ASN 119 Cb 0.05 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.12 2d8k h ASN 119 CO 0.00 0.45 -0.86 0.11 -1.29 0.00 0.00 177.43 175.84 2d8k h LYS 120 N 0.00 0.38 -6.66 6.67 1.79 -1.39 -3.45 116.57 113.91 2d8k h LYS 120 Ca -0.00 -0.56 -0.52 0.00 -2.18 0.00 0.00 60.65 57.38 2d8k h LYS 120 Cb 1.18 0.20 0.02 0.00 -1.58 0.00 0.00 32.23 32.04 2d8k h LYS 120 CO 0.06 1.24 0.55 0.54 -1.08 0.00 0.00 179.45 180.76 2d8k s VAL 121 N -2.69 3.62 -1.22 0.50 0.11 -1.22 -4.92 120.40 114.57 2d8k s VAL 121 Ca -0.13 1.36 -0.20 0.00 -2.93 0.00 0.00 61.98 60.08 2d8k s VAL 121 Cb 0.02 -3.87 -0.02 0.00 -1.53 0.00 0.00 36.38 30.98 2d8k s VAL 121 CO 0.85 0.22 1.87 0.47 -3.33 0.00 0.00 175.10 175.17 2d8k n ASP 122 N 2.52 3.82 0.31 3.54 8.00 -1.26 -4.75 116.55 128.74 2d8k n ASP 122 Ca 0.04 -2.79 0.10 0.00 0.71 0.00 0.00 54.79 52.85 2d8k n ASP 122 Cb 0.45 -1.71 0.51 0.00 -0.02 0.00 0.00 41.12 40.35 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 15.27 0.00 -1.33 0.64 3.38 -1.89 -1.05 115.31 130.33 2d8k h LEU 123 Ca 0.33 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.43 2d8k h LEU 123 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2d8k h LEU 123 CO 1.37 0.00 0.76 0.71 0.09 0.00 0.00 178.44 181.37 2d8k h THR 124 N 0.00 0.11 -2.92 0.22 1.35 -1.85 -3.06 112.91 106.76 2d8k h THR 124 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 2d8k h THR 124 Cb 1.08 0.34 -0.15 0.00 -1.73 0.00 0.00 68.15 67.69 2d8k h THR 124 CO 0.00 0.00 0.06 0.00 -0.25 0.00 0.00 175.52 175.33 2d8k s GLN 125 N -4.33 1.10 0.12 4.72 -2.07 -0.40 -4.98 119.66 113.82 2d8k s GLN 125 Ca -0.03 -0.36 -0.31 0.00 -1.82 0.00 0.00 55.36 52.84 2d8k s GLN 125 Cb 0.11 0.50 -0.11 0.00 -1.09 0.00 0.00 33.01 32.42 2d8k s GLN 125 CO 0.36 -0.42 1.84 -0.12 -1.32 0.00 0.00 175.29 175.63 2d8k n MET 126 N 0.13 2.79 -3.82 9.60 0.00 -1.26 -4.63 117.12 119.93 2d8k n MET 126 Ca -0.18 1.02 -0.23 0.00 -0.00 0.00 0.00 57.70 58.31 2d8k n MET 126 Cb 0.62 -2.91 -0.17 0.00 0.00 0.00 0.00 33.22 30.75 2d8k n MET 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2d8k s GLN 127 N 2.75 0.70 0.54 2.12 -0.21 -0.24 -4.94 119.66 120.37 2d8k s GLN 127 Ca 0.82 0.06 -0.12 0.00 0.02 0.00 0.00 55.36 56.14 2d8k s GLN 127 Cb -0.48 -1.01 -0.06 0.00 1.00 0.00 0.00 33.01 32.47 2d8k s GLN 127 CO 0.37 -0.28 0.95 0.99 -2.12 0.00 0.00 175.29 175.21 2d8k s THR 128 N 1.84 4.69 -0.04 -0.19 2.01 -1.26 -2.04 115.64 120.64 2d8k s THR 128 Ca 0.03 0.88 -0.05 0.00 0.31 0.00 0.00 61.69 62.86 2d8k s THR 128 Cb -0.12 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2d8k s THR 128 CO -0.05 -0.88 0.13 -0.36 -0.69 0.00 0.00 174.62 172.76 2d8k s PHE 129 N -2.84 -0.12 -0.31 4.92 0.40 -1.01 -4.98 117.98 114.03 2d8k s PHE 129 Ca 0.55 0.30 0.03 0.00 -0.60 0.00 0.00 56.93 57.21 2d8k s PHE 129 Cb -0.10 0.04 0.09 0.00 0.51 0.00 0.00 43.02 43.55 2d8k s PHE 129 CO 0.43 -0.08 0.02 -1.58 0.70 0.00 0.00 175.22 174.70 2d8k s TRP 130 N -0.05 3.29 0.11 0.36 0.52 -1.26 -3.31 118.94 118.60 2d8k s TRP 130 Ca -0.01 -2.61 0.10 0.00 0.02 0.00 0.00 56.10 53.59 2d8k s TRP 130 Cb -0.01 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 2d8k s TRP 130 CO 0.00 -0.91 -0.24 0.15 0.02 0.00 0.00 176.95 175.97 2d8k s LYS 131 N 1.07 1.29 -0.51 4.98 -0.14 -1.20 -5.01 119.74 120.22 2d8k s LYS 131 Ca 0.06 -1.24 -0.23 0.00 -1.36 0.00 0.00 55.97 53.20 2d8k s LYS 131 Cb -0.19 -1.66 0.04 0.00 -1.68 0.00 0.00 37.83 34.34 2d8k s LYS 131 CO -0.10 0.39 0.82 -0.51 -0.76 0.00 0.00 175.35 175.20 2d8k s ASP 132 N -1.93 6.32 -0.65 2.83 1.01 -1.26 -1.32 116.67 121.68 2d8k s ASP 132 Ca 0.10 -0.45 -0.26 0.00 0.71 0.00 0.00 52.55 52.66 2d8k s ASP 132 Cb -0.10 -2.38 -0.16 0.00 1.01 0.00 0.00 42.92 41.29 2d8k s ASP 132 CO 0.05 -1.06 1.92 0.18 0.21 0.00 0.00 175.17 176.47 2d8k n LEU 133 N 6.94 0.32 -4.69 1.23 4.77 -0.67 -4.82 117.00 120.08 2d8k n LEU 133 Ca -0.00 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.90 2d8k n LEU 133 Cb 0.47 -0.69 0.14 0.00 -2.33 0.00 0.00 43.42 41.01 2d8k n LEU 133 CO 0.60 -0.56 0.73 -0.54 -1.33 0.00 0.00 177.39 176.30 2d8k s LYS 134 N 6.15 1.38 -0.74 3.23 -0.14 -0.79 -4.31 119.74 124.53 2d8k s LYS 134 Ca 0.99 1.67 -0.26 0.00 -1.36 0.00 0.00 55.97 57.01 2d8k s LYS 134 Cb -1.00 -1.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 2d8k s LYS 134 CO 0.41 -2.39 1.90 -1.25 -0.76 0.00 0.00 175.35 173.26 2d8k s PRO 135 N -4.36 2.59 0.46 -1.68 0.04 -1.26 -1.21 135.00 129.58 2d8k s PRO 135 Ca 0.70 0.20 0.19 0.00 0.04 0.00 0.00 61.00 62.14 2d8k s PRO 135 Cb -0.26 -4.69 1.05 0.00 0.04 0.00 0.00 34.50 30.63 2d8k s PRO 135 CO 0.54 -3.02 1.53 0.66 0.04 0.00 0.00 177.00 176.74 2d8k h SER 136 N 13.32 0.00 -2.83 6.66 4.64 -1.83 -3.43 113.55 130.07 2d8k h SER 136 Ca -0.10 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.63 2d8k h SER 136 Cb 1.09 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.31 2d8k h SER 136 CO 1.21 0.00 0.08 0.61 -0.87 0.00 0.00 176.83 177.86 2d8k n GLY 137 N -1.26 -0.40 3.77 -0.77 0.00 -1.26 -4.92 105.19 100.35 2d8k n GLY 137 Ca -0.01 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.86 4.30 0.42 1.61 0.04 -1.26 -5.00 135.00 133.25 2d8k s PRO 138 Ca 0.62 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 63.42 2d8k s PRO 138 Cb -0.59 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.91 2d8k s PRO 138 CO 0.58 -0.15 1.12 -1.12 0.04 0.00 0.00 177.00 177.46 2d8k s SER 139 N -0.80 6.47 0.10 6.66 0.01 -1.26 -5.05 113.70 119.83 2d8k s SER 139 Ca 0.51 2.20 -0.09 0.00 1.31 0.00 0.00 55.95 59.88 2d8k s SER 139 Cb -0.35 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.28 2d8k s SER 139 CO 0.45 -0.70 0.21 -0.55 0.41 0.00 0.00 173.24 173.07 2d8k s SER 140 N -1.41 0.09 0.00 2.44 0.15 -1.26 -5.24 113.70 108.46 2d8k s SER 140 Ca 0.60 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2d8k s SER 140 Cb -0.26 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2d8k s SER 140 CO 0.32 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.62