#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8m s SER 2 N 0.00 -0.25 0.23 1.61 0.15 -1.26 -5.16 113.70 109.03 2d8m s SER 2 Ca 0.00 0.50 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 2d8m s SER 2 Cb 0.00 0.41 -0.08 0.00 -1.71 0.00 0.00 66.02 64.64 2d8m s SER 2 CO 0.00 -0.15 0.65 -0.94 1.20 0.00 0.00 173.24 174.01 2d8m s SER 3 N 1.01 6.84 -0.43 5.45 1.04 -1.26 -5.05 113.70 121.30 2d8m s SER 3 Ca -0.07 1.21 -0.14 0.00 0.48 0.00 0.00 55.95 57.43 2d8m s SER 3 Cb -0.08 -2.34 0.05 0.00 0.10 0.00 0.00 66.02 63.75 2d8m s SER 3 CO -0.07 -0.04 0.32 -0.83 0.98 0.00 0.00 173.24 173.61 2d8m s GLY 4 N -1.97 2.01 -0.18 7.32 0.00 -1.26 -5.02 107.32 108.21 2d8m s GLY 4 Ca 0.46 -1.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 2d8m s GLY 4 CO 0.19 0.98 0.26 -0.45 0.00 0.00 0.00 173.10 174.08 2d8m s SER 5 N 2.14 0.86 -0.12 1.64 0.15 -1.26 -5.14 113.70 111.96 2d8m s SER 5 Ca 0.04 0.12 -0.22 0.00 0.70 0.00 0.00 55.95 56.59 2d8m s SER 5 Cb -0.22 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 2d8m s SER 5 CO 0.07 -0.29 0.54 -0.55 1.20 0.00 0.00 173.24 174.21 2d8m s SER 6 N 2.39 -0.52 -0.30 5.45 0.15 -1.26 -5.14 113.70 114.46 2d8m s SER 6 Ca 0.06 0.78 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 2d8m s SER 6 Cb -0.14 0.78 0.18 0.00 -1.71 0.00 0.00 66.02 65.13 2d8m s SER 6 CO -0.11 -0.37 0.97 -0.83 1.20 0.00 0.00 173.24 174.09 2d8m s GLY 7 N -0.50 -0.74 -0.27 9.45 0.00 -1.26 -5.17 107.32 108.83 2d8m s GLY 7 Ca -0.06 2.23 -0.25 0.00 0.00 0.00 0.00 44.72 46.64 2d8m s GLY 7 CO 0.04 3.89 1.01 1.85 0.00 0.00 0.00 173.10 179.90 2d8m s GLU 8 N 2.93 0.53 -0.08 2.90 2.12 -1.26 -5.14 118.70 120.71 2d8m s GLU 8 Ca 0.14 0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 2d8m s GLU 8 Cb -0.07 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 2d8m s GLU 8 CO -0.18 -0.07 1.51 -1.25 -0.54 0.00 0.00 175.26 174.73 2d8m s PRO 9 N 0.17 4.21 0.32 4.30 0.04 -1.26 -5.02 135.00 137.75 2d8m s PRO 9 Ca 0.03 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.15 2d8m s PRO 9 Cb -0.05 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.61 2d8m s PRO 9 CO -0.05 -0.77 0.38 1.03 0.04 0.00 0.00 177.00 177.62 2d8m s ARG 10 N 3.67 3.01 0.84 4.56 1.81 -1.26 -5.09 118.95 126.49 2d8m s ARG 10 Ca 0.67 -1.08 -0.12 0.00 -1.72 0.00 0.00 55.73 53.47 2d8m s ARG 10 Cb -0.30 -2.69 0.09 0.00 -0.45 0.00 0.00 34.95 31.60 2d8m s ARG 10 CO 0.25 0.14 1.13 0.54 -0.68 0.00 0.00 175.30 176.67 2d8m n ARG 11 N -1.49 -0.01 0.09 3.54 3.00 -1.26 -4.92 116.66 115.60 2d8m n ARG 11 Ca -0.02 0.07 -0.03 0.00 -0.01 0.00 0.00 57.85 57.86 2d8m n ARG 11 Cb 0.58 -2.37 0.19 0.00 0.00 0.00 0.00 32.46 30.87 2d8m n ARG 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2d8m h PRO 12 N -1.19 0.25 -6.35 5.56 0.13 -2.06 -3.45 132.00 124.88 2d8m h PRO 12 Ca -0.45 -0.13 -0.51 0.00 -0.87 0.00 0.00 66.00 64.04 2d8m h PRO 12 Cb 1.29 0.00 0.24 0.00 0.13 0.00 0.00 31.00 32.66 2d8m h PRO 12 CO 0.44 0.66 -1.56 0.54 -0.23 0.00 0.00 178.00 177.85 2d8m n ARG 13 N -3.99 -0.43 -2.30 0.86 5.12 -1.26 -4.73 116.66 109.93 2d8m n ARG 13 Ca -0.02 -0.11 -0.34 0.00 -1.93 0.00 0.00 57.85 55.45 2d8m n ARG 13 Cb 0.51 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.40 2d8m n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2d8m s ALA 14 N -2.15 2.28 1.00 7.54 0.00 -1.26 -4.96 121.76 124.20 2d8m s ALA 14 Ca 0.47 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2d8m s ALA 14 Cb -0.11 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.43 2d8m s ALA 14 CO 0.71 -4.27 0.00 0.41 0.00 0.00 0.00 175.76 172.62 2d8m n GLY 15 N 6.46 -2.64 0.00 0.00 0.00 -1.26 -4.79 105.19 102.96 2d8m n GLY 15 Ca 0.40 -1.28 0.07 0.00 0.00 0.00 0.00 46.02 45.21 2d8m n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 16 N 0.00 0.49 -0.06 1.61 -0.04 -1.26 -3.14 135.00 132.60 2d8m n PRO 16 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2d8m n PRO 16 Cb 0.00 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 2d8m n PRO 16 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8m h GLU 17 N 0.00 0.39 -0.35 0.54 4.11 -1.88 0.50 114.58 117.90 2d8m h GLU 17 Ca 0.00 -0.20 -0.12 0.00 0.07 0.00 0.00 59.36 59.11 2d8m h GLU 17 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2d8m h GLU 17 CO 0.00 0.76 -0.23 0.93 0.07 0.00 0.00 179.01 180.53 2d8m h GLU 18 N 0.04 0.77 -0.52 1.06 4.39 -1.85 -3.15 114.58 115.32 2d8m h GLU 18 Ca 0.03 -0.37 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 2d8m h GLU 18 Cb 0.68 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2d8m h GLU 18 CO 0.04 0.99 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.66 2d8m h LEU 19 N 0.55 1.03 -2.30 1.33 4.07 -1.70 -2.65 115.31 115.65 2d8m h LEU 19 Ca 0.07 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2d8m h LEU 19 Cb 0.79 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2d8m h LEU 19 CO 0.06 1.16 0.05 1.23 -1.08 0.00 0.00 178.44 179.87 2d8m h GLY 20 N 0.89 0.00 -0.49 0.83 0.00 0.17 0.29 103.07 104.76 2d8m h GLY 20 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2d8m h GLY 20 CO 0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.88 2d8m n LYS 21 N -2.75 1.68 -0.07 4.80 4.76 -1.00 -3.28 118.16 122.30 2d8m n LYS 21 Ca -0.02 -0.98 -0.08 0.00 -2.87 0.00 0.00 58.31 54.36 2d8m n LYS 21 Cb 0.11 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.77 2d8m n LYS 21 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2d8m h ILE 22 N 2.39 0.55 -0.80 -0.18 2.04 -0.40 -3.38 117.51 117.74 2d8m h ILE 22 Ca 0.00 -1.48 -0.47 0.00 1.00 0.00 0.00 64.86 63.91 2d8m h ILE 22 Cb 0.51 1.11 -0.26 0.00 -0.74 0.00 0.00 36.82 37.43 2d8m h ILE 22 CO 0.00 0.19 0.38 0.18 0.00 0.00 0.00 178.15 178.89 2d8m n LEU 23 N -4.65 6.12 -4.59 1.44 4.77 0.67 -4.88 117.00 115.87 2d8m n LEU 23 Ca -0.09 -3.93 -0.42 0.00 -0.03 0.00 0.00 56.01 51.54 2d8m n LEU 23 Cb 0.27 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 2d8m n LEU 23 CO 0.13 1.31 1.81 -1.58 -1.33 0.00 0.00 177.39 177.73 2d8m s GLN 24 N -3.45 3.02 0.00 3.23 0.74 -1.20 -1.48 119.66 120.52 2d8m s GLN 24 Ca 0.55 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.77 2d8m s GLN 24 Cb 0.46 -4.37 0.00 0.00 1.10 0.00 0.00 33.01 30.20 2d8m s GLN 24 CO 0.04 -2.23 0.00 0.41 -0.55 0.00 0.00 175.29 172.97 2d8m n GLY 25 N 5.73 1.19 3.47 2.59 0.00 -1.26 -5.07 105.19 111.84 2d8m n GLY 25 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 2d8m n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8m s VAL 26 N -2.00 2.57 -0.16 1.61 1.01 -0.55 -4.97 120.40 117.92 2d8m s VAL 26 Ca 0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 61.98 59.94 2d8m s VAL 26 Cb 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.15 2d8m s VAL 26 CO 0.00 -0.18 -0.02 -0.69 0.00 0.00 0.00 175.10 174.22 2d8m s VAL 27 N -1.85 0.81 -0.06 2.92 1.01 -1.26 -0.43 120.40 121.53 2d8m s VAL 27 Ca 0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2d8m s VAL 27 Cb -0.07 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2d8m s VAL 27 CO 0.12 0.06 0.06 0.68 0.00 0.00 0.00 175.10 176.03 2d8m s VAL 28 N 1.76 4.74 -0.13 2.92 -7.23 0.17 -2.52 120.40 120.10 2d8m s VAL 28 Ca 0.01 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.99 2d8m s VAL 28 Cb -0.15 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2d8m s VAL 28 CO -0.07 0.51 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.33 2d8m s VAL 29 N -1.04 2.28 -0.09 1.32 1.01 -1.19 -2.86 120.40 119.83 2d8m s VAL 29 Ca 0.17 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 2d8m s VAL 29 Cb -0.12 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2d8m s VAL 29 CO 0.07 0.54 0.85 -0.76 0.00 0.00 0.00 175.10 175.81 2d8m s LEU 30 N 0.64 4.28 -0.05 3.92 1.43 -1.26 -1.08 118.68 126.57 2d8m s LEU 30 Ca -0.10 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2d8m s LEU 30 Cb -0.16 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.77 2d8m s LEU 30 CO 0.02 -0.28 0.08 -0.44 0.23 0.00 0.00 176.35 175.96 2d8m s SER 31 N 1.00 0.60 -0.49 2.29 0.01 -1.00 -4.85 113.70 111.26 2d8m s SER 31 Ca 0.43 0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.82 2d8m s SER 31 Cb -0.18 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2d8m s SER 31 CO 0.19 -0.20 0.41 0.61 0.41 0.00 0.00 173.24 174.66 2d8m n GLY 32 N 4.84 0.22 3.13 3.44 0.00 -1.26 -3.25 105.19 112.31 2d8m n GLY 32 Ca -0.14 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 2d8m n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8m s PHE 33 N -3.13 1.36 -0.05 1.61 0.08 -1.26 -4.58 117.98 112.01 2d8m s PHE 33 Ca 0.08 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2d8m s PHE 33 Cb -0.04 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.55 2d8m s PHE 33 CO 0.28 -0.02 -0.11 -1.14 -0.10 0.00 0.00 175.22 174.13 2d8m s GLN 34 N -0.36 1.38 0.95 0.44 2.00 -1.26 -4.73 119.66 118.08 2d8m s GLN 34 Ca 0.06 -0.36 -0.11 0.00 -2.00 0.00 0.00 55.36 52.95 2d8m s GLN 34 Cb -0.06 -1.20 0.12 0.00 0.80 0.00 0.00 33.01 32.67 2d8m s GLN 34 CO -0.01 0.06 0.89 0.27 -0.50 0.00 0.00 175.29 176.00 2d8m n ASN 35 N 3.63 -0.58 0.20 6.67 6.94 -1.26 -1.74 115.26 129.12 2d8m n ASN 35 Ca -0.22 0.35 0.15 0.00 -0.02 0.00 0.00 54.58 54.84 2d8m n ASN 35 Cb 0.52 -1.37 0.60 0.00 -2.36 0.00 0.00 39.78 37.17 2d8m n ASN 35 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2d8m h PRO 36 N -1.85 0.00 -0.45 -0.53 0.13 -2.01 -3.43 132.00 123.86 2d8m h PRO 36 Ca -0.44 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.78 2d8m h PRO 36 Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 2d8m h PRO 36 CO 0.39 0.00 -0.15 0.35 -0.23 0.00 0.00 178.00 178.36 2d8m h PHE 37 N 0.00 -0.35 -0.78 1.56 3.57 -1.91 0.82 116.94 119.85 2d8m h PHE 37 Ca 0.00 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.69 2d8m h PHE 37 Cb 0.42 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2d8m h PHE 37 CO 0.00 -0.24 0.33 -0.09 -2.23 0.00 0.00 178.31 176.08 2d8m h ARG 38 N -0.05 0.45 0.09 1.11 2.43 -1.61 0.18 114.38 116.98 2d8m h ARG 38 Ca 0.22 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2d8m h ARG 38 Cb 0.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2d8m h ARG 38 CO -0.49 0.30 -0.04 0.77 -1.51 0.00 0.00 179.97 178.99 2d8m h SER 39 N 0.46 -0.10 -0.31 -3.80 0.02 -1.40 -2.27 113.55 106.15 2d8m h SER 39 Ca 0.44 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 2d8m h SER 39 Cb 0.67 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 2d8m h SER 39 CO -0.41 0.28 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.42 2d8m h GLU 40 N -0.50 0.02 -0.08 3.45 4.81 -0.21 -1.71 114.58 120.36 2d8m h GLU 40 Ca -0.01 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2d8m h GLU 40 Cb 0.42 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2d8m h GLU 40 CO 0.02 0.02 -0.12 1.25 -0.73 0.00 0.00 179.01 179.44 2d8m h LEU 41 N 0.02 -0.38 0.08 1.64 5.85 -0.69 -2.56 115.31 119.28 2d8m h LEU 41 Ca 0.15 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2d8m h LEU 41 Cb 0.22 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2d8m h LEU 41 CO -0.30 -0.17 -0.45 -0.09 -0.34 0.00 0.00 178.44 177.09 2d8m h ARG 42 N -0.17 -0.60 -0.75 1.25 2.43 -0.94 -1.90 114.38 113.70 2d8m h ARG 42 Ca 0.07 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2d8m h ARG 42 Cb 0.27 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.86 2d8m h ARG 42 CO -0.18 -0.40 -0.50 0.22 -1.51 0.00 0.00 179.97 177.60 2d8m h ASP 43 N -0.62 -1.80 -0.78 -3.80 1.82 -1.20 0.21 116.42 110.26 2d8m h ASP 43 Ca -0.00 0.27 0.17 0.00 -0.39 0.00 0.00 57.03 57.08 2d8m h ASP 43 Cb 0.63 0.78 -0.14 0.00 0.68 0.00 0.00 39.33 41.29 2d8m h ASP 43 CO -0.26 -0.23 -0.07 0.11 -1.61 0.00 0.00 179.24 177.18 2d8m h LYS 44 N -0.07 0.05 -0.86 0.28 1.57 -1.19 0.52 116.57 116.87 2d8m h LYS 44 Ca 0.12 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 2d8m h LYS 44 Cb 0.38 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 2d8m h LYS 44 CO -0.74 0.03 0.56 0.00 -0.57 0.00 0.00 179.45 178.73 2d8m h ALA 45 N 1.75 1.61 -0.36 3.86 0.00 0.17 -1.97 119.26 124.32 2d8m h ALA 45 Ca 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2d8m h ALA 45 Cb 0.69 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2d8m h ALA 45 CO -0.73 0.24 -0.02 -0.07 0.00 0.00 0.00 179.25 178.66 2d8m h LEU 46 N 0.90 0.64 -0.21 0.00 3.38 0.13 -2.44 115.31 117.72 2d8m h LEU 46 Ca 0.38 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2d8m h LEU 46 Cb 0.31 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2d8m h LEU 46 CO -0.15 0.81 -0.21 -0.33 0.09 0.00 0.00 178.44 178.65 2d8m h GLU 47 N 0.46 -0.21 0.00 1.13 3.07 -0.46 0.21 114.58 118.78 2d8m h GLU 47 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2d8m h GLU 47 Cb 0.49 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2d8m h GLU 47 CO 0.02 -0.14 0.30 -0.07 -1.40 0.00 0.00 179.01 177.72 2d8m h LEU 48 N -0.22 0.00 0.00 1.33 3.38 -1.46 0.19 115.31 118.53 2d8m h LEU 48 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2d8m h LEU 48 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2d8m h LEU 48 CO -0.34 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.80 2d8m n GLY 49 N -1.22 1.09 3.91 0.83 0.00 0.74 -0.24 105.19 110.31 2d8m n GLY 49 Ca -0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2d8m n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8m s ALA 50 N -2.00 3.84 0.00 4.61 0.00 -0.92 -4.14 121.76 123.15 2d8m s ALA 50 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 2d8m s ALA 50 Cb 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 2d8m s ALA 50 CO 0.00 0.67 0.74 0.15 0.00 0.00 0.00 175.76 177.32 2d8m s LYS 51 N -2.73 4.47 -0.34 0.00 1.02 0.42 -4.27 119.74 118.31 2d8m s LYS 51 Ca 0.40 1.00 -0.09 0.00 0.02 0.00 0.00 55.97 57.30 2d8m s LYS 51 Cb -0.12 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2d8m s LYS 51 CO 0.26 0.20 0.15 -0.47 -0.92 0.00 0.00 175.35 174.57 2d8m s TYR 52 N 0.28 3.21 -0.02 3.18 5.04 -1.26 0.41 117.35 128.19 2d8m s TYR 52 Ca 0.38 -0.96 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 2d8m s TYR 52 Cb -0.19 -2.35 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 2d8m s TYR 52 CO 0.21 -0.60 0.02 1.03 -1.34 0.00 0.00 175.55 174.87 2d8m s ARG 53 N 1.53 2.91 0.00 4.97 1.81 -1.13 -5.00 118.95 124.04 2d8m s ARG 53 Ca 0.02 -0.53 0.14 0.00 -1.72 0.00 0.00 55.73 53.64 2d8m s ARG 53 Cb -0.18 -2.75 0.61 0.00 -0.45 0.00 0.00 34.95 32.18 2d8m s ARG 53 CO 0.05 0.65 1.45 -0.35 -0.68 0.00 0.00 175.30 176.42 2d8m n PRO 54 N 1.50 0.01 -3.59 3.54 -0.04 -1.26 -3.99 135.00 131.17 2d8m n PRO 54 Ca -0.15 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2d8m n PRO 54 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2d8m n PRO 54 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2d8m s ASP 55 N -2.97 -0.37 -0.02 3.54 -1.08 -1.26 -4.95 116.67 109.55 2d8m s ASP 55 Ca 0.07 -0.19 -0.33 0.00 -0.52 0.00 0.00 52.55 51.58 2d8m s ASP 55 Cb 0.09 0.53 -0.11 0.00 -1.46 0.00 0.00 42.92 41.97 2d8m s ASP 55 CO 0.26 -0.91 1.87 1.87 0.52 0.00 0.00 175.17 178.77 2d8m n TRP 56 N -0.37 2.39 -4.31 -5.34 -0.00 -1.26 -4.97 117.44 103.57 2d8m n TRP 56 Ca -0.10 -0.07 -0.24 0.00 -0.00 0.00 0.00 57.50 57.09 2d8m n TRP 56 Cb 0.62 -2.69 -0.08 0.00 -0.00 0.00 0.00 31.31 29.16 2d8m n TRP 56 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2d8m s THR 57 N 3.76 3.01 -0.20 5.87 -4.23 -1.26 -5.01 115.64 117.59 2d8m s THR 57 Ca 0.90 -1.97 0.26 0.00 -1.18 0.00 0.00 61.69 59.70 2d8m s THR 57 Cb -0.62 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 70.72 2d8m s THR 57 CO 0.47 -0.30 1.79 -0.09 -0.54 0.00 0.00 174.62 175.95 2d8m h ARG 58 N 1.87 0.00 -0.02 3.99 2.43 -2.05 -0.47 114.38 120.13 2d8m h ARG 58 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2d8m h ARG 58 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2d8m h ARG 58 CO 0.63 0.00 -0.33 -0.25 -1.51 0.00 0.00 179.97 178.50 2d8m n ASP 59 N -2.42 2.02 -4.70 -3.80 9.92 -1.26 -4.94 116.55 111.36 2d8m n ASP 59 Ca 0.00 -1.50 -0.42 0.00 -0.53 0.00 0.00 54.79 52.34 2d8m n ASP 59 Cb 0.15 0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 2d8m n ASP 59 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2d8m s SER 60 N -2.37 6.66 -0.19 -2.24 0.01 -0.19 -4.69 113.70 110.69 2d8m s SER 60 Ca 0.22 2.46 0.08 0.00 1.31 0.00 0.00 55.95 60.02 2d8m s SER 60 Cb 0.19 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.67 2d8m s SER 60 CO 0.50 -0.81 -0.07 0.35 0.41 0.00 0.00 173.24 173.62 2d8m n THR 61 N 4.37 1.16 -4.11 1.44 -2.24 -1.19 -4.91 114.28 108.80 2d8m n THR 61 Ca 0.14 -0.57 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 2d8m n THR 61 Cb 0.40 -0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 67.60 2d8m n THR 61 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2d8m s HIS 62 N -2.41 0.86 -0.13 4.78 3.76 -1.05 -3.08 115.29 118.02 2d8m s HIS 62 Ca -0.18 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.28 2d8m s HIS 62 Cb 0.06 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.25 2d8m s HIS 62 CO 0.57 -0.03 -0.20 -1.17 -0.85 0.00 0.00 174.74 173.05 2d8m s LEU 63 N -1.58 2.25 -0.51 0.89 2.96 -0.56 -3.19 118.68 118.94 2d8m s LEU 63 Ca -0.07 -0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 53.13 2d8m s LEU 63 Cb -0.10 -1.48 0.06 0.00 0.50 0.00 0.00 46.19 45.18 2d8m s LEU 63 CO 0.01 0.12 0.62 -0.63 -1.32 0.00 0.00 176.35 175.15 2d8m s ILE 64 N 0.58 4.89 -0.01 6.68 -1.09 -0.24 -2.20 121.20 129.82 2d8m s ILE 64 Ca -0.12 -0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 57.78 2d8m s ILE 64 Cb -0.16 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 2d8m s ILE 64 CO 0.03 -0.80 0.07 0.00 -1.23 0.00 0.00 174.94 173.02 2d8m n ALA 66 N 1.26 1.86 -3.59 0.00 0.00 -1.20 -3.36 120.51 115.47 2d8m n ALA 66 Ca -0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 53.44 52.61 2d8m n ALA 66 Cb 0.53 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 2d8m n ALA 66 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2d8m s PHE 67 N -2.87 -0.40 0.94 0.00 -0.12 -1.26 -4.97 117.98 109.31 2d8m s PHE 67 Ca -0.03 0.76 -0.16 0.00 -0.05 0.00 0.00 56.93 57.45 2d8m s PHE 67 Cb 0.09 0.43 0.24 0.00 -0.63 0.00 0.00 43.02 43.14 2d8m s PHE 67 CO 0.81 -0.31 0.73 0.00 -0.05 0.00 0.00 175.22 176.40 2d8m n ALA 68 N 1.10 -2.92 -2.82 1.99 0.00 -1.26 -4.20 120.51 112.40 2d8m n ALA 68 Ca -0.11 -1.15 -0.19 0.00 0.00 0.00 0.00 53.44 51.99 2d8m n ALA 68 Cb 0.57 -0.09 0.03 0.00 0.00 0.00 0.00 19.45 19.96 2d8m n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2d8m n ASN 69 N -4.58 -5.49 -4.70 0.00 3.02 -1.26 -5.00 115.26 97.25 2d8m n ASN 69 Ca 0.11 -0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.21 2d8m n ASN 69 Cb 0.43 -4.36 -0.06 0.00 -0.61 0.00 0.00 39.78 35.17 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2d8m s THR 70 N -3.06 3.75 0.15 3.41 -4.23 -1.26 -5.05 115.64 109.35 2d8m s THR 70 Ca 0.22 -1.74 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 2d8m s THR 70 Cb -0.10 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2d8m s THR 70 CO 0.27 -0.35 1.48 1.55 -0.54 0.00 0.00 174.62 177.03 2d8m h PRO 71 N 1.82 0.92 0.00 3.99 0.13 -1.95 -2.86 132.00 134.06 2d8m h PRO 71 Ca -0.46 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2d8m h PRO 71 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2d8m h PRO 71 CO 0.60 1.14 0.00 1.63 -0.23 0.00 0.00 178.00 181.14 2d8m n LYS 72 N -4.06 0.03 0.05 0.86 4.76 -1.26 -2.90 118.16 115.64 2d8m n LYS 72 Ca -0.02 0.12 -0.07 0.00 -2.87 0.00 0.00 58.31 55.47 2d8m n LYS 72 Cb 0.55 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 2d8m n LYS 72 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2d8m h TYR 73 N 0.00 -0.21 -0.48 2.13 3.20 -1.89 -3.10 116.97 116.62 2d8m h TYR 73 Ca 0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2d8m h TYR 73 Cb 0.43 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2d8m h TYR 73 CO 0.00 0.06 0.09 1.03 -1.64 0.00 0.00 178.16 177.70 2d8m h SER 74 N -1.01 0.69 0.45 -2.11 0.87 -1.62 -1.47 113.55 109.36 2d8m h SER 74 Ca -0.02 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2d8m h SER 74 Cb 0.37 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2d8m h SER 74 CO 0.04 0.70 -0.52 -0.61 -0.53 0.00 0.00 176.83 175.91 2d8m h GLN 75 N 0.71 -0.95 0.00 2.24 4.15 -1.64 -0.93 115.11 118.69 2d8m h GLN 75 Ca 0.16 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2d8m h GLN 75 Cb 0.30 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2d8m h GLN 75 CO 0.00 -0.63 0.00 0.28 -1.93 0.00 0.00 178.83 176.55 2d8m n VAL 76 N -5.56 0.82 -0.01 2.39 0.31 -1.17 -2.84 118.33 112.28 2d8m n VAL 76 Ca -0.12 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2d8m n VAL 76 Cb 0.46 -1.19 -0.10 0.00 -0.91 0.00 0.00 33.84 32.10 2d8m n VAL 76 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2d8m h LEU 77 N 0.00 -0.03 -1.01 7.52 6.46 -0.14 -2.13 115.31 125.98 2d8m h LEU 77 Ca 0.00 -0.55 -0.10 0.00 -0.12 0.00 0.00 57.88 57.11 2d8m h LEU 77 Cb 0.36 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2d8m h LEU 77 CO 0.00 0.55 -0.33 1.23 -0.62 0.00 0.00 178.44 179.27 2d8m h GLY 78 N -0.63 0.33 0.95 3.75 0.00 -1.13 -3.12 103.07 103.22 2d8m h GLY 78 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2d8m h GLY 78 CO 0.01 0.26 0.11 1.41 0.00 0.00 0.00 176.54 178.32 2d8m h LEU 79 N 0.26 0.24 0.00 3.11 3.38 -1.57 -3.47 115.31 117.26 2d8m h LEU 79 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2d8m h LEU 79 Cb 0.71 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2d8m h LEU 79 CO 0.05 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2d8m n GLY 80 N -0.96 1.32 3.84 0.83 0.00 -1.10 -5.12 105.19 103.99 2d8m n GLY 80 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2d8m n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 81 N -1.66 1.98 -0.72 -0.02 0.00 -0.82 -4.98 107.32 101.10 2d8m s GLY 81 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 44.72 44.61 2d8m s GLY 81 CO 0.00 0.44 1.30 -1.60 0.00 0.00 0.00 173.10 173.24 2d8m s ARG 82 N -4.33 3.19 -0.35 2.90 3.52 -1.18 -4.75 118.95 117.95 2d8m s ARG 82 Ca 0.59 -0.16 -0.22 0.00 -0.13 0.00 0.00 55.73 55.81 2d8m s ARG 82 Cb -0.11 -4.17 0.01 0.00 -1.56 0.00 0.00 34.95 29.11 2d8m s ARG 82 CO 0.38 -2.13 0.73 0.42 -0.81 0.00 0.00 175.30 173.88 2d8m s ILE 83 N 5.82 4.80 0.38 4.11 1.01 -1.26 -1.50 121.20 134.57 2d8m s ILE 83 Ca 0.37 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.87 2d8m s ILE 83 Cb -0.08 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2d8m s ILE 83 CO 0.16 -0.36 0.08 0.68 0.00 0.00 0.00 174.94 175.50 2d8m s VAL 84 N 2.93 1.00 0.59 2.92 -7.23 -0.93 -0.50 120.40 119.19 2d8m s VAL 84 Ca 0.29 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 2d8m s VAL 84 Cb -0.14 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.29 2d8m s VAL 84 CO 0.15 0.00 0.84 -0.13 -0.31 0.00 0.00 175.10 175.65 2d8m s ARG 85 N -3.81 2.41 0.24 4.82 0.52 -1.10 -2.73 118.95 119.31 2d8m s ARG 85 Ca 0.28 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2d8m s ARG 85 Cb 0.06 -2.41 0.28 0.00 0.52 0.00 0.00 34.95 33.39 2d8m s ARG 85 CO 0.14 -0.87 1.59 1.57 0.02 0.00 0.00 175.30 177.74 2d8m h LYS 86 N -0.11 0.29 -1.17 3.54 2.10 -1.92 -3.07 116.57 116.23 2d8m h LYS 86 Ca -0.42 -0.18 0.34 0.00 -2.00 0.00 0.00 60.65 58.38 2d8m h LYS 86 Cb 1.30 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.60 2d8m h LYS 86 CO 0.53 0.76 1.09 0.93 -2.00 0.00 0.00 179.45 180.76 2d8m h GLU 87 N 0.23 0.00 -0.23 0.07 5.08 -1.95 0.66 114.58 118.44 2d8m h GLU 87 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2d8m h GLU 87 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2d8m h GLU 87 CO 0.09 0.00 0.06 2.35 -1.00 0.00 0.00 179.01 180.50 2d8m h TRP 88 N 0.00 0.39 -0.07 4.33 7.01 -1.93 -0.99 115.95 124.69 2d8m h TRP 88 Ca 0.55 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.45 2d8m h TRP 88 Cb 2.72 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 29.67 2d8m h TRP 88 CO 0.00 0.47 -0.19 0.28 -2.79 0.00 0.00 178.44 176.21 2d8m h VAL 89 N 0.20 1.42 -0.42 2.65 2.07 0.09 -1.42 116.25 120.84 2d8m h VAL 89 Ca 0.07 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 66.13 2d8m h VAL 89 Cb 0.28 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 2d8m h VAL 89 CO 0.00 0.43 0.08 -0.07 0.02 0.00 0.00 177.57 178.04 2d8m h LEU 90 N -0.23 0.01 -0.61 2.57 3.38 -1.39 0.67 115.31 119.72 2d8m h LEU 90 Ca -0.00 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2d8m h LEU 90 Cb 0.80 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2d8m h LEU 90 CO 0.04 0.04 -0.26 0.44 0.09 0.00 0.00 178.44 178.79 2d8m h ASP 91 N 0.22 0.85 -0.05 -0.43 5.19 -1.23 0.62 116.42 121.58 2d8m h ASP 91 Ca 0.20 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2d8m h ASP 91 Cb 0.25 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 2d8m h ASP 91 CO -0.27 1.06 0.03 0.00 -3.12 0.00 0.00 179.24 176.94 2d8m h HIS 93 N 0.03 -0.24 -0.92 0.00 -0.00 -0.87 1.84 115.15 114.99 2d8m h HIS 93 Ca 0.02 -0.01 0.21 0.00 -0.00 0.00 0.00 60.37 60.59 2d8m h HIS 93 Cb 0.04 0.08 -0.12 0.00 -0.00 0.00 0.00 27.41 27.41 2d8m h HIS 93 CO -0.06 0.15 0.46 -0.09 -0.00 0.00 0.00 177.93 178.39 2d8m h ARG 94 N -0.73 0.50 -0.02 5.26 9.65 -0.85 0.24 114.38 128.43 2d8m h ARG 94 Ca -0.03 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2d8m h ARG 94 Cb 0.50 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2d8m h ARG 94 CO 0.04 0.33 -0.39 -1.33 2.80 0.00 0.00 179.97 181.42 2d8m n MET 95 N -4.95 1.31 -4.31 0.20 2.81 0.65 -4.97 117.12 107.85 2d8m n MET 95 Ca 0.22 -1.06 -0.36 0.00 -1.81 0.00 0.00 57.70 54.70 2d8m n MET 95 Cb 0.62 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 2d8m n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2d8m n ARG 96 N 0.08 -1.86 -4.08 0.03 1.74 0.61 -4.92 116.66 108.27 2d8m n ARG 96 Ca 0.10 0.23 -0.09 0.00 -0.77 0.00 0.00 57.85 57.33 2d8m n ARG 96 Cb 0.47 -4.53 -0.09 0.00 -1.02 0.00 0.00 32.46 27.29 2d8m n ARG 96 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d8m s ARG 97 N -7.09 0.84 -0.33 5.56 1.70 -0.47 -4.89 118.95 114.27 2d8m s ARG 97 Ca 0.49 -1.29 -0.27 0.00 -0.47 0.00 0.00 55.73 54.19 2d8m s ARG 97 Cb -0.28 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 2d8m s ARG 97 CO 0.97 -0.23 0.97 0.50 -1.08 0.00 0.00 175.30 176.43 2d8m s ARG 98 N -3.98 3.98 0.07 3.89 3.52 -1.26 -4.52 118.95 120.65 2d8m s ARG 98 Ca 0.16 0.83 0.04 0.00 -0.13 0.00 0.00 55.73 56.63 2d8m s ARG 98 Cb 0.07 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 2d8m s ARG 98 CO -0.04 -0.86 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.06 2d8m s LEU 99 N 3.44 3.37 -0.27 -0.88 1.43 -1.26 -5.07 118.68 119.44 2d8m s LEU 99 Ca 0.40 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2d8m s LEU 99 Cb -0.13 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2d8m s LEU 99 CO 0.15 0.20 1.65 -2.16 0.23 0.00 0.00 176.35 176.43 2d8m s PRO 100 N -2.09 3.63 0.53 1.29 0.04 -1.26 -4.87 135.00 132.28 2d8m s PRO 100 Ca 0.23 1.52 0.31 0.00 0.04 0.00 0.00 61.00 63.10 2d8m s PRO 100 Cb -0.11 -4.08 1.45 0.00 0.04 0.00 0.00 34.50 31.79 2d8m s PRO 100 CO 0.15 -1.49 2.04 0.77 0.04 0.00 0.00 177.00 178.51 2d8m h SER 101 N 11.37 0.00 -0.97 6.66 0.02 -1.97 -2.89 113.55 125.77 2d8m h SER 101 Ca -0.33 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2d8m h SER 101 Cb 1.15 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.61 2d8m h SER 101 CO 1.02 0.09 0.60 0.06 -1.14 0.00 0.00 176.83 177.46 2d8m h GLN 102 N 0.00 0.89 0.00 3.45 3.07 -1.99 0.27 115.11 120.81 2d8m h GLN 102 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 2d8m h GLN 102 Cb 0.43 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.79 2d8m h GLN 102 CO 0.01 0.59 -0.07 0.00 0.09 0.00 0.00 178.83 179.46 2d8m h ARG 103 N 0.92 0.00 -0.45 0.06 3.08 -1.92 -2.34 114.38 113.72 2d8m h ARG 103 Ca 0.49 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.39 2d8m h ARG 103 Cb 0.53 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 2d8m h ARG 103 CO -0.28 0.07 0.08 0.66 -1.07 0.00 0.00 179.97 179.43 2d8m n TYR 104 N -3.26 1.50 -2.18 3.04 4.02 0.88 -5.00 117.16 116.16 2d8m n TYR 104 Ca -0.01 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.90 56.19 2d8m n TYR 104 Cb 0.28 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2d8m s LEU 105 N -3.05 4.31 -0.16 7.72 1.43 -0.66 -2.71 118.68 125.56 2d8m s LEU 105 Ca 0.47 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.54 2d8m s LEU 105 Cb 0.40 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.83 2d8m s LEU 105 CO 0.07 -0.76 0.36 0.24 0.23 0.00 0.00 176.35 176.49 2d8m h MET 106 N 8.09 0.11 -5.19 1.70 2.86 -1.12 -3.48 114.93 117.90 2d8m h MET 106 Ca -0.38 -0.20 -0.61 0.00 -2.06 0.00 0.00 59.70 56.45 2d8m h MET 106 Cb 1.18 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 32.78 2d8m h MET 106 CO 0.92 1.09 -0.53 0.00 1.06 0.00 0.00 176.91 179.45 2d8m s ALA 107 N -2.42 3.45 0.00 6.32 0.00 -1.21 -5.06 121.76 122.84 2d8m s ALA 107 Ca -0.25 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2d8m s ALA 107 Cb 0.05 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2d8m s ALA 107 CO 0.68 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2d8m n GLY 108 N -1.06 -2.06 0.27 0.00 0.00 -1.26 -4.72 105.19 96.36 2d8m n GLY 108 Ca -0.12 -1.33 0.16 0.00 0.00 0.00 0.00 46.02 44.73 2d8m n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m h PRO 109 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.48 132.00 128.24 2d8m h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2d8m h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2d8m h PRO 109 CO 0.00 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.21 2d8m n GLY 110 N -0.02 4.10 3.67 1.56 0.00 -1.26 -5.08 105.19 108.15 2d8m n GLY 110 Ca 0.00 -1.40 -0.55 0.00 0.00 0.00 0.00 46.02 44.07 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8m n SER 111 N 0.00 2.50 -2.28 1.61 3.41 -1.26 -4.82 113.62 112.78 2d8m n SER 111 Ca 0.00 0.98 -0.22 0.00 -0.26 0.00 0.00 58.87 59.37 2d8m n SER 111 Cb 0.00 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 62.70 2d8m n SER 111 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d8m n SER 112 N 6.16 6.17 -4.17 4.04 3.41 -1.26 -4.75 113.62 123.21 2d8m n SER 112 Ca 0.28 -3.01 -0.32 0.00 -0.26 0.00 0.00 58.87 55.56 2d8m n SER 112 Cb 0.16 -1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 62.82 2d8m n SER 112 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8m n SER 113 N 1.19 -1.69 -4.30 4.04 7.64 -1.26 -4.88 113.62 114.36 2d8m n SER 113 Ca 0.44 -1.06 -0.45 0.00 1.01 0.00 0.00 58.87 58.81 2d8m n SER 113 Cb 0.64 -2.63 -0.03 0.00 -1.01 0.00 0.00 64.21 61.18 2d8m n SER 113 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2d8m s GLU 114 N -6.89 3.59 0.19 1.43 0.41 -1.26 -5.04 118.70 111.14 2d8m s GLU 114 Ca 0.41 -2.66 0.06 0.00 -0.41 0.00 0.00 54.97 52.38 2d8m s GLU 114 Cb -0.23 -4.36 -0.04 0.00 -1.78 0.00 0.00 34.13 27.73 2d8m s GLU 114 CO 0.93 -1.27 0.13 -1.21 -0.49 0.00 0.00 175.26 173.36 2d8m s GLU 115 N -0.21 2.83 0.00 1.61 2.02 -1.26 -5.12 118.70 118.57 2d8m s GLU 115 Ca 0.21 -0.97 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2d8m s GLU 115 Cb -0.11 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 2d8m s GLU 115 CO -0.08 0.45 0.16 0.34 0.02 0.00 0.00 175.26 176.15 2d8m s ASP 116 N -3.32 6.21 -0.21 -0.19 2.15 -1.26 -5.02 116.67 115.03 2d8m s ASP 116 Ca 0.31 0.29 -0.03 0.00 0.43 0.00 0.00 52.55 53.55 2d8m s ASP 116 Cb -0.09 -1.91 -0.12 0.00 -0.30 0.00 0.00 42.92 40.50 2d8m s ASP 116 CO 0.23 0.25 -0.22 -0.62 -0.17 0.00 0.00 175.17 174.64 2d8m n GLU 117 N 0.90 0.50 -3.58 4.34 1.02 -1.26 -4.97 120.64 117.58 2d8m n GLU 117 Ca -0.10 0.15 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 2d8m n GLU 117 Cb 0.52 -1.36 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8m s ALA 118 N -2.41 -0.28 0.31 0.62 0.00 -1.26 -5.15 121.76 113.58 2d8m s ALA 118 Ca -0.29 0.47 0.10 0.00 0.00 0.00 0.00 51.96 52.24 2d8m s ALA 118 Cb 0.09 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 2d8m s ALA 118 CO 0.44 -0.91 -0.08 -1.54 0.00 0.00 0.00 175.76 173.68 2d8m s SER 119 N 2.33 4.00 0.21 0.00 1.04 -1.26 -5.15 113.70 114.88 2d8m s SER 119 Ca 0.05 -0.96 0.06 0.00 0.48 0.00 0.00 55.95 55.58 2d8m s SER 119 Cb -0.14 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 2d8m s SER 119 CO -0.09 -0.09 0.17 -1.00 0.98 0.00 0.00 173.24 173.20 2d8m s HIS 120 N -2.49 3.13 0.33 5.02 3.76 -1.26 -5.08 115.29 118.69 2d8m s HIS 120 Ca 0.32 -0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 2d8m s HIS 120 Cb -0.03 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 2d8m s HIS 120 CO 0.18 0.52 0.35 -1.12 -0.85 0.00 0.00 174.74 173.82 2d8m s SER 121 N -3.48 1.30 0.00 1.40 0.01 -1.26 -4.68 113.70 106.98 2d8m s SER 121 Ca 0.32 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2d8m s SER 121 Cb -0.09 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2d8m s SER 121 CO 0.24 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2d8m n GLY 122 N -0.58 -0.92 2.11 3.44 0.00 -1.26 -5.09 105.19 102.89 2d8m n GLY 122 Ca 0.05 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 2d8m n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8m n GLY 123 N 0.00 -0.69 1.77 -0.02 0.00 -1.26 -4.89 105.19 100.10 2d8m n GLY 123 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2d8m n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8m n SER 124 N -1.25 5.48 -2.88 1.61 7.64 -1.26 -4.42 113.62 118.55 2d8m n SER 124 Ca 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 58.87 57.32 2d8m n SER 124 Cb 0.48 -1.23 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 2d8m n SER 124 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8m s GLY 125 N 1.74 -1.35 0.00 0.23 0.00 -1.26 -4.97 107.32 101.71 2d8m s GLY 125 Ca 0.30 -0.02 0.11 0.00 0.00 0.00 0.00 44.72 45.11 2d8m s GLY 125 CO -0.01 3.77 1.11 -1.55 0.00 0.00 0.00 173.10 176.42 2d8m n PRO 126 N 3.37 0.49 -3.09 2.90 -0.04 -1.26 -4.37 135.00 132.99 2d8m n PRO 126 Ca 0.15 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.16 2d8m n PRO 126 Cb 0.58 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 2d8m n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d8m s SER 127 N -1.86 7.03 -0.86 3.54 1.04 -1.26 -4.96 113.70 116.36 2d8m s SER 127 Ca 0.17 -2.96 -0.26 0.00 0.48 0.00 0.00 55.95 53.38 2d8m s SER 127 Cb 0.08 -2.33 -0.17 0.00 0.10 0.00 0.00 66.02 63.70 2d8m s SER 127 CO 0.13 -0.66 2.34 -1.20 0.98 0.00 0.00 173.24 174.83 2d8m n SER 128 N 4.84 1.64 0.00 7.02 7.64 -1.26 -5.24 113.62 128.26 2d8m n SER 128 Ca 0.29 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.45 2d8m n SER 128 Cb 0.43 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64