#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 5.16 -0.15 1.61 0.01 -1.26 -5.07 113.70 114.01 2d8m s SER 2 Ca 0.00 -1.47 -0.00 0.00 1.31 0.00 0.00 55.95 55.79 2d8m s SER 2 Cb 0.00 -1.81 0.03 0.00 0.21 0.00 0.00 66.02 64.46 2d8m s SER 2 CO 0.00 -0.38 -0.08 -0.55 0.41 0.00 0.00 173.24 172.64 2d8m s SER 3 N 1.52 2.68 0.00 2.44 0.15 -1.26 -4.97 113.70 114.27 2d8m s SER 3 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2d8m s SER 3 Cb -0.21 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2d8m s SER 3 CO -0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2d8m n GLY 4 N 4.85 1.11 3.80 9.45 0.00 -1.26 -5.12 105.19 118.02 2d8m n GLY 4 Ca -0.13 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2d8m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 5 N 0.00 4.61 -0.26 1.61 0.01 -1.26 -5.06 113.70 113.35 2d8m s SER 5 Ca 0.00 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 2d8m s SER 5 Cb 0.00 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 64.13 2d8m s SER 5 CO 0.00 -1.91 0.05 -0.94 0.41 0.00 0.00 173.24 170.85 2d8m s SER 6 N -3.81 3.71 0.00 2.44 1.04 -1.26 -5.00 113.70 110.82 2d8m s SER 6 Ca 0.60 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2d8m s SER 6 Cb -0.15 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2d8m s SER 6 CO 0.55 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2d8m n GLY 7 N 4.85 -1.24 2.90 7.32 0.00 -1.26 -5.08 105.19 112.68 2d8m n GLY 7 Ca -0.06 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2d8m n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8m s GLU 8 N -0.35 2.48 0.00 1.61 2.02 -1.26 -4.91 118.70 118.29 2d8m s GLU 8 Ca 0.00 -3.36 0.08 0.00 0.02 0.00 0.00 54.97 51.71 2d8m s GLU 8 Cb 0.00 -3.43 0.48 0.00 0.10 0.00 0.00 34.13 31.27 2d8m s GLU 8 CO 0.00 -1.29 0.93 -0.35 0.02 0.00 0.00 175.26 174.57 2d8m n PRO 9 N 1.96 0.49 -2.16 0.39 -0.04 -1.26 -4.80 135.00 129.57 2d8m n PRO 9 Ca 0.20 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.25 2d8m n PRO 9 Cb 0.35 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 2d8m n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2d8m s ARG 10 N -2.00 4.38 0.01 0.54 3.52 -1.26 -5.04 118.95 119.11 2d8m s ARG 10 Ca 0.12 2.16 -0.00 0.00 -0.13 0.00 0.00 55.73 57.88 2d8m s ARG 10 Cb 0.05 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 2d8m s ARG 10 CO 0.09 -0.18 -0.01 1.03 -0.81 0.00 0.00 175.30 175.42 2d8m s ARG 11 N -1.40 0.16 0.53 5.12 1.81 -1.26 -5.04 118.95 118.88 2d8m s ARG 11 Ca 0.50 -0.31 0.32 0.00 -1.72 0.00 0.00 55.73 54.52 2d8m s ARG 11 Cb -0.39 0.06 1.32 0.00 -0.45 0.00 0.00 34.95 35.49 2d8m s ARG 11 CO 0.49 -0.03 1.97 -1.00 -0.68 0.00 0.00 175.30 176.05 2d8m h PRO 12 N 5.38 0.00 -6.35 3.54 0.13 -2.02 -3.43 132.00 129.25 2d8m h PRO 12 Ca -0.28 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.31 2d8m h PRO 12 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2d8m h PRO 12 CO 0.46 0.06 1.02 1.03 -0.23 0.00 0.00 178.00 180.34 2d8m s ARG 13 N -3.72 4.20 0.92 0.86 0.52 -1.26 -4.99 118.95 115.48 2d8m s ARG 13 Ca 0.00 2.22 -0.15 0.00 -0.52 0.00 0.00 55.73 57.28 2d8m s ARG 13 Cb 0.10 -3.79 0.24 0.00 0.52 0.00 0.00 34.95 32.01 2d8m s ARG 13 CO 0.56 -0.77 0.62 0.00 0.02 0.00 0.00 175.30 175.73 2d8m n ALA 14 N 6.35 -3.10 0.00 2.13 0.00 -1.26 -4.96 120.51 119.67 2d8m n ALA 14 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2d8m n ALA 14 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2d8m n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8m n GLY 15 N -3.36 -0.14 0.00 0.00 0.00 -1.26 -4.90 105.19 95.54 2d8m n GLY 15 Ca 0.09 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.93 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 0.48 -0.11 1.61 -0.04 -1.26 -3.08 135.00 132.60 2d8m n PRO 16 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2d8m n PRO 16 Cb 0.00 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 2d8m n PRO 16 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2d8m n GLU 17 N -0.89 0.56 -0.05 0.54 2.13 -1.26 -3.38 120.64 118.28 2d8m n GLU 17 Ca 0.09 0.41 0.11 0.00 0.66 0.00 0.00 57.16 58.44 2d8m n GLU 17 Cb 0.04 -1.61 0.51 0.00 0.27 0.00 0.00 31.44 30.65 2d8m n GLU 17 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2d8m h GLU 18 N -1.00 0.38 -0.00 5.31 5.08 -1.90 -1.88 114.58 120.56 2d8m h GLU 18 Ca -0.42 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 2d8m h GLU 18 Cb 1.31 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2d8m h GLU 18 CO -0.25 0.25 -0.71 -0.07 -1.00 0.00 0.00 179.01 177.23 2d8m h LEU 19 N 0.39 0.63 -2.87 1.33 -0.00 -1.75 -3.19 115.31 109.84 2d8m h LEU 19 Ca 0.25 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 2d8m h LEU 19 Cb 0.47 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2d8m h LEU 19 CO -0.06 1.30 0.02 1.23 -0.00 0.00 0.00 178.44 180.92 2d8m h GLY 20 N 0.02 0.00 0.31 0.83 0.00 -0.13 0.16 103.07 104.25 2d8m h GLY 20 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2d8m h GLY 20 CO 0.14 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.96 2d8m n LYS 21 N -3.19 1.28 -0.08 4.80 5.02 -0.93 -2.82 118.16 122.26 2d8m n LYS 21 Ca -0.03 -0.42 -0.08 0.00 -2.02 0.00 0.00 58.31 55.76 2d8m n LYS 21 Cb 0.09 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2d8m n LYS 21 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2d8m h ILE 22 N 0.98 0.28 -1.11 -0.18 2.04 -0.73 -3.40 117.51 115.37 2d8m h ILE 22 Ca 0.00 -1.32 -0.62 0.00 1.00 0.00 0.00 64.86 63.91 2d8m h ILE 22 Cb 0.21 0.64 -0.36 0.00 -0.74 0.00 0.00 36.82 36.56 2d8m h ILE 22 CO 0.00 0.09 -0.04 0.18 0.00 0.00 0.00 178.15 178.38 2d8m n LEU 23 N -4.59 6.09 -4.65 1.44 4.77 0.11 -4.83 117.00 115.34 2d8m n LEU 23 Ca -0.12 -4.70 -0.42 0.00 -0.03 0.00 0.00 56.01 50.74 2d8m n LEU 23 Cb 0.34 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2d8m n LEU 23 CO 0.12 1.89 1.52 -1.58 -1.33 0.00 0.00 177.39 178.01 2d8m s GLN 24 N -3.72 3.99 0.00 3.23 2.00 -1.13 -2.27 119.66 121.76 2d8m s GLN 24 Ca 0.55 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 56.18 2d8m s GLN 24 Cb 0.44 -4.11 0.00 0.00 0.80 0.00 0.00 33.01 30.14 2d8m s GLN 24 CO -0.07 -1.10 0.00 0.41 -0.50 0.00 0.00 175.29 174.03 2d8m n GLY 25 N 4.56 0.85 3.29 2.59 0.00 -1.26 -5.05 105.19 110.18 2d8m n GLY 25 Ca 0.20 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.34 1.82 -0.16 1.61 1.01 -0.96 -5.07 120.40 116.31 2d8m s VAL 26 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2d8m s VAL 26 Cb 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2d8m s VAL 26 CO 0.00 0.11 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 2d8m s VAL 27 N -0.96 1.57 -0.08 2.92 1.01 -1.26 -0.24 120.40 123.36 2d8m s VAL 27 Ca 0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2d8m s VAL 27 Cb -0.10 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2d8m s VAL 27 CO 0.03 0.39 -0.03 0.68 0.00 0.00 0.00 175.10 176.17 2d8m s VAL 28 N 1.47 4.02 -0.17 2.92 -7.23 0.76 -2.08 120.40 120.09 2d8m s VAL 28 Ca 0.04 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2d8m s VAL 28 Cb -0.14 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2d8m s VAL 28 CO -0.10 0.60 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.46 2d8m s VAL 29 N -0.80 2.69 -0.04 1.32 1.01 -1.19 -2.66 120.40 120.72 2d8m s VAL 29 Ca 0.12 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 2d8m s VAL 29 Cb -0.11 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2d8m s VAL 29 CO 0.02 0.50 0.84 -0.76 0.00 0.00 0.00 175.10 175.70 2d8m s LEU 30 N 1.04 4.33 -0.27 3.92 1.43 -1.26 -1.01 118.68 126.86 2d8m s LEU 30 Ca -0.01 1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2d8m s LEU 30 Cb -0.15 -3.32 0.16 0.00 0.03 0.00 0.00 46.19 42.91 2d8m s LEU 30 CO -0.03 -0.20 0.44 -0.44 0.23 0.00 0.00 176.35 176.35 2d8m s SER 31 N 0.92 -0.13 0.00 2.29 0.01 -1.18 -4.90 113.70 110.71 2d8m s SER 31 Ca 0.44 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2d8m s SER 31 Cb -0.19 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.40 2d8m s SER 31 CO 0.22 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2d8m n GLY 32 N 5.38 1.68 3.37 3.44 0.00 -1.26 -3.52 105.19 114.27 2d8m n GLY 32 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.01 -0.06 1.61 0.08 -1.26 -4.53 117.98 113.83 2d8m s PHE 33 Ca 0.00 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 2d8m s PHE 33 Cb 0.00 -1.00 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2d8m s PHE 33 CO 0.00 0.40 0.01 -0.65 -0.10 0.00 0.00 175.22 174.89 2d8m s GLN 34 N -2.73 0.42 0.74 0.44 -0.21 -1.26 -4.78 119.66 112.28 2d8m s GLN 34 Ca 0.18 0.17 -0.16 0.00 0.02 0.00 0.00 55.36 55.56 2d8m s GLN 34 Cb -0.07 -0.82 -0.04 0.00 1.00 0.00 0.00 33.01 33.09 2d8m s GLN 34 CO 0.08 -0.29 0.47 0.27 -2.12 0.00 0.00 175.29 173.70 2d8m n ASN 35 N 5.08 -1.43 0.22 5.90 6.94 -1.26 -2.32 115.26 128.39 2d8m n ASN 35 Ca -0.08 0.56 0.09 0.00 -0.02 0.00 0.00 54.58 55.13 2d8m n ASN 35 Cb 0.50 -1.20 0.48 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.47 0.00 -0.90 -0.53 0.13 -2.01 -3.44 132.00 124.79 2d8m h PRO 36 Ca -0.45 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 2d8m h PRO 36 Cb 1.35 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.33 2d8m h PRO 36 CO 0.41 0.26 -0.33 0.34 -0.23 0.00 0.00 178.00 178.46 2d8m n PHE 37 N -3.55 0.08 0.05 1.56 7.35 -0.98 -0.31 117.46 121.66 2d8m n PHE 37 Ca -0.01 1.11 -0.14 0.00 -0.76 0.00 0.00 57.45 57.65 2d8m n PHE 37 Cb 0.41 -0.87 -0.09 0.00 0.35 0.00 0.00 39.48 39.28 2d8m n PHE 37 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2d8m h ARG 38 N 0.00 -0.57 0.21 -4.13 2.43 -1.77 0.90 114.38 111.45 2d8m h ARG 38 Ca 0.33 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.55 2d8m h ARG 38 Cb 0.56 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2d8m h ARG 38 CO -0.90 -0.38 -0.37 0.66 -1.51 0.00 0.00 179.97 177.47 2d8m h SER 39 N -0.59 -1.06 -1.05 -3.80 4.64 -1.20 -1.40 113.55 109.09 2d8m h SER 39 Ca 0.01 0.11 0.29 0.00 -0.47 0.00 0.00 61.79 61.73 2d8m h SER 39 Cb 0.63 0.38 -0.12 0.00 -0.31 0.00 0.00 62.40 62.98 2d8m h SER 39 CO -0.30 -0.47 0.64 -0.08 -0.87 0.00 0.00 176.83 175.74 2d8m h GLU 40 N -0.66 0.40 -0.30 4.77 4.81 -0.41 0.21 114.58 123.40 2d8m h GLU 40 Ca 0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2d8m h GLU 40 Cb 0.65 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2d8m h GLU 40 CO -0.16 0.26 -0.02 1.25 -0.73 0.00 0.00 179.01 179.61 2d8m h LEU 41 N 0.41 0.53 0.29 1.64 5.85 0.20 -3.12 115.31 121.11 2d8m h LEU 41 Ca 0.67 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2d8m h LEU 41 Cb 1.56 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2d8m h LEU 41 CO -0.45 0.73 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.81 2d8m h ARG 42 N 0.32 -0.78 -0.92 1.25 2.43 0.35 -1.76 114.38 115.27 2d8m h ARG 42 Ca 0.08 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2d8m h ARG 42 Cb 0.47 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 30.07 2d8m h ARG 42 CO 0.02 -0.52 -0.52 0.22 -1.51 0.00 0.00 179.97 177.66 2d8m h ASP 43 N -0.81 -1.88 -0.67 -3.80 3.58 -1.48 0.37 116.42 111.73 2d8m h ASP 43 Ca -0.03 0.31 0.14 0.00 0.42 0.00 0.00 57.03 57.86 2d8m h ASP 43 Cb 0.75 0.86 -0.10 0.00 1.72 0.00 0.00 39.33 42.57 2d8m h ASP 43 CO -0.16 -0.27 0.13 0.11 -2.88 0.00 0.00 179.24 176.17 2d8m h LYS 44 N -0.05 0.23 -0.34 0.28 1.57 -1.43 0.23 116.57 117.06 2d8m h LYS 44 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2d8m h LYS 44 Cb 0.49 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2d8m h LYS 44 CO -0.91 0.15 0.21 0.00 -0.57 0.00 0.00 179.45 178.34 2d8m h ALA 45 N 1.55 1.75 -0.22 3.86 0.00 0.55 -2.47 119.26 124.29 2d8m h ALA 45 Ca 0.36 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2d8m h ALA 45 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2d8m h ALA 45 CO -0.48 0.23 -0.14 -0.07 0.00 0.00 0.00 179.25 178.80 2d8m h LEU 46 N 0.46 0.50 -0.26 0.00 3.38 0.14 -2.00 115.31 117.52 2d8m h LEU 46 Ca 0.12 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.72 2d8m h LEU 46 Cb -0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 2d8m h LEU 46 CO -0.03 0.82 -0.28 -0.33 0.09 0.00 0.00 178.44 178.72 2d8m h GLU 47 N 0.18 -0.27 0.00 1.13 4.39 -0.79 0.38 114.58 119.60 2d8m h GLU 47 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2d8m h GLU 47 Cb 0.65 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2d8m h GLU 47 CO 0.04 -0.18 0.29 -0.07 -1.16 0.00 0.00 179.01 177.93 2d8m h LEU 48 N -0.28 0.00 0.00 1.33 3.38 -1.55 0.33 115.31 118.52 2d8m h LEU 48 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2d8m h LEU 48 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2d8m h LEU 48 CO -0.42 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.72 2d8m n GLY 49 N -1.23 0.96 3.87 0.83 0.00 0.13 0.09 105.19 109.84 2d8m n GLY 49 Ca -0.02 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.77 0.00 4.61 0.00 -0.75 -4.07 121.76 123.32 2d8m s ALA 50 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.30 2d8m s ALA 50 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2d8m s ALA 50 CO 0.00 0.57 0.72 0.15 0.00 0.00 0.00 175.76 177.21 2d8m s LYS 51 N -1.57 4.45 -0.34 0.00 3.01 0.67 -4.03 119.74 121.93 2d8m s LYS 51 Ca 0.27 0.96 -0.13 0.00 -1.01 0.00 0.00 55.97 56.07 2d8m s LYS 51 Cb -0.14 -3.39 -0.02 0.00 -1.01 0.00 0.00 37.83 33.27 2d8m s LYS 51 CO 0.15 0.23 0.26 -0.47 0.51 0.00 0.00 175.35 176.02 2d8m s TYR 52 N 0.19 3.23 -0.01 3.18 5.04 -1.26 -0.17 117.35 127.54 2d8m s TYR 52 Ca 0.37 -0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2d8m s TYR 52 Cb -0.19 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.58 2d8m s TYR 52 CO 0.21 -0.35 -0.01 1.03 -1.34 0.00 0.00 175.55 175.08 2d8m s ARG 53 N 1.77 2.76 0.50 4.97 1.81 -1.09 -5.01 118.95 124.67 2d8m s ARG 53 Ca 0.07 -0.61 0.29 0.00 -1.72 0.00 0.00 55.73 53.76 2d8m s ARG 53 Cb -0.17 -2.65 1.21 0.00 -0.45 0.00 0.00 34.95 32.89 2d8m s ARG 53 CO 0.11 0.63 1.94 -1.00 -0.68 0.00 0.00 175.30 176.29 2d8m h PRO 54 N 4.49 0.00 -3.31 3.54 0.13 -1.93 -3.35 132.00 131.57 2d8m h PRO 54 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2d8m h PRO 54 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2d8m h PRO 54 CO 0.56 0.12 -0.08 -0.51 -0.23 0.00 0.00 178.00 177.86 2d8m s ASP 55 N -5.97 -0.24 0.23 1.44 1.11 -1.26 -4.92 116.67 107.07 2d8m s ASP 55 Ca 0.00 -0.25 -0.31 0.00 0.18 0.00 0.00 52.55 52.17 2d8m s ASP 55 Cb 0.10 0.46 -0.12 0.00 1.07 0.00 0.00 42.92 44.44 2d8m s ASP 55 CO 0.59 -0.81 1.68 0.86 1.18 0.00 0.00 175.17 178.67 2d8m s TRP 56 N -3.51 2.86 0.27 4.23 -0.11 -1.26 -4.98 118.94 116.44 2d8m s TRP 56 Ca 0.01 0.47 0.02 0.00 1.22 0.00 0.00 56.10 57.82 2d8m s TRP 56 Cb 0.01 -4.12 -0.04 0.00 -1.50 0.00 0.00 33.47 27.82 2d8m s TRP 56 CO -0.10 -4.10 0.15 -0.08 -4.62 0.00 0.00 176.95 168.20 2d8m s THR 57 N 0.84 0.25 -0.86 5.86 -1.32 -1.26 -5.01 115.64 114.15 2d8m s THR 57 Ca 0.71 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.30 2d8m s THR 57 Cb -0.49 -2.53 0.10 0.00 -1.51 0.00 0.00 72.50 68.07 2d8m s THR 57 CO 0.37 0.00 1.34 -1.14 -2.21 0.00 0.00 174.62 172.98 2d8m n ARG 58 N -0.47 0.04 0.01 7.08 3.00 -1.26 -1.06 116.66 124.00 2d8m n ARG 58 Ca 0.02 0.40 0.11 0.00 -0.00 0.00 0.00 57.85 58.38 2d8m n ARG 58 Cb 0.65 -1.59 -0.03 0.00 0.00 0.00 0.00 32.46 31.49 2d8m n ARG 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2d8m n ASP 59 N -1.66 0.61 -4.72 6.15 2.03 -1.26 -4.92 116.55 112.77 2d8m n ASP 59 Ca 0.02 -0.35 -0.42 0.00 0.52 0.00 0.00 54.79 54.56 2d8m n ASP 59 Cb 0.10 0.99 -0.03 0.00 -0.72 0.00 0.00 41.12 41.46 2d8m n ASP 59 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2d8m s SER 60 N -3.78 7.03 -0.17 1.67 0.01 -0.23 -4.65 113.70 113.58 2d8m s SER 60 Ca 0.03 2.14 -0.05 0.00 1.31 0.00 0.00 55.95 59.39 2d8m s SER 60 Cb 0.15 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 2d8m s SER 60 CO 0.83 -0.47 -0.19 0.35 0.41 0.00 0.00 173.24 174.16 2d8m n THR 61 N 3.49 0.96 -4.53 1.44 -2.24 -1.17 -4.87 114.28 107.36 2d8m n THR 61 Ca 0.08 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 2d8m n THR 61 Cb 0.45 -1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 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 -2.33 2.34 -0.06 4.78 3.76 -0.88 -2.34 115.29 120.57 2d8m s HIS 62 Ca -0.24 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.15 2d8m s HIS 62 Cb 0.08 -1.36 0.02 0.00 1.11 0.00 0.00 32.58 32.43 2d8m s HIS 62 CO 0.34 0.53 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.50 2d8m s LEU 63 N -3.59 1.50 -0.84 0.89 2.96 -0.69 -3.18 118.68 115.74 2d8m s LEU 63 Ca 0.32 -0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.85 2d8m s LEU 63 Cb 0.03 -0.66 0.18 0.00 0.50 0.00 0.00 46.19 46.24 2d8m s LEU 63 CO 0.16 -0.01 0.87 -0.63 -1.32 0.00 0.00 176.35 175.42 2d8m s ILE 64 N 0.79 5.29 0.02 6.68 -1.09 -0.18 -2.41 121.20 130.30 2d8m s ILE 64 Ca -0.13 -2.09 -0.14 0.00 -2.23 0.00 0.00 60.65 56.06 2d8m s ILE 64 Cb -0.15 -4.56 -0.06 0.00 -1.58 0.00 0.00 42.46 36.11 2d8m s ILE 64 CO 0.02 -1.17 0.41 0.00 -1.23 0.00 0.00 174.94 172.97 2d8m h ALA 66 N 4.53 0.11 -2.36 0.00 0.00 -1.79 -3.14 119.26 116.61 2d8m h ALA 66 Ca -0.51 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 53.46 2d8m h ALA 66 Cb 1.22 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 2d8m h ALA 66 CO 0.62 0.99 0.28 -0.59 0.00 0.00 0.00 179.25 180.55 2d8m s PHE 67 N -2.65 -0.54 1.21 0.00 -0.12 -1.26 -4.85 117.98 109.77 2d8m s PHE 67 Ca -0.05 0.65 -0.20 0.00 -0.05 0.00 0.00 56.93 57.28 2d8m s PHE 67 Cb 0.07 0.49 0.30 0.00 -0.63 0.00 0.00 43.02 43.25 2d8m s PHE 67 CO 0.88 -0.66 1.01 0.00 -0.05 0.00 0.00 175.22 176.40 2d8m n ALA 68 N 0.26 -3.53 -2.70 1.99 0.00 -1.26 -4.22 120.51 111.06 2d8m n ALA 68 Ca -0.16 -1.54 -0.16 0.00 0.00 0.00 0.00 53.44 51.58 2d8m n ALA 68 Cb 0.61 -0.11 0.02 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 -4.92 -4.91 -4.76 0.00 3.02 -1.26 -5.01 115.26 97.41 2d8m n ASN 69 Ca 0.14 -0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.29 2d8m n ASN 69 Cb 0.56 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.84 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 -2.96 4.15 0.22 3.41 -4.23 -1.26 -5.02 115.64 109.95 2d8m s THR 70 Ca 0.17 -1.46 0.24 0.00 -1.18 0.00 0.00 61.69 59.46 2d8m s THR 70 Cb -0.08 -3.20 0.23 0.00 1.34 0.00 0.00 72.50 70.79 2d8m s THR 70 CO 0.21 -0.29 1.88 1.55 -0.54 0.00 0.00 174.62 177.43 2d8m h PRO 71 N 1.87 0.00 0.00 3.99 0.13 -1.95 -2.84 132.00 133.20 2d8m h PRO 71 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2d8m h PRO 71 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2d8m h PRO 71 CO 0.61 0.22 -1.14 1.17 -0.23 0.00 0.00 178.00 178.63 2d8m n LYS 72 N -3.49 0.61 -0.15 0.86 3.00 -1.26 -3.57 118.16 114.16 2d8m n LYS 72 Ca -0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 58.31 58.36 2d8m n LYS 72 Cb 0.39 -1.82 0.03 0.00 0.00 0.00 0.00 35.03 33.63 2d8m n LYS 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2d8m h TYR 73 N 0.00 1.07 0.00 5.64 5.03 -1.88 -1.64 116.97 125.20 2d8m h TYR 73 Ca -0.05 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 61.01 2d8m h TYR 73 Cb 1.20 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.22 2d8m h TYR 73 CO 0.00 1.05 -0.17 0.43 -1.32 0.00 0.00 178.16 178.14 2d8m n SER 74 N -4.12 0.39 -0.09 -2.11 7.64 -1.20 -2.62 113.62 111.51 2d8m n SER 74 Ca 0.00 0.33 -0.18 0.00 1.01 0.00 0.00 58.87 60.04 2d8m n SER 74 Cb 0.44 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.17 2d8m n SER 74 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2d8m h GLN 75 N 0.00 0.00 0.00 1.43 5.75 -1.53 -3.29 115.11 117.47 2d8m h GLN 75 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2d8m h GLN 75 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2d8m h GLN 75 CO 0.00 0.99 0.00 0.28 -2.65 0.00 0.00 178.83 177.45 2d8m n VAL 76 N -4.52 0.71 -0.03 2.39 0.31 -0.65 -3.09 118.33 113.45 2d8m n VAL 76 Ca -0.21 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 2d8m n VAL 76 Cb 0.58 -0.84 -0.11 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.01 -0.57 7.52 5.85 -1.63 -1.71 115.31 124.77 2d8m h LEU 77 Ca 0.00 -0.64 -0.08 0.00 0.84 0.00 0.00 57.88 58.00 2d8m h LEU 77 Cb 0.58 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2d8m h LEU 77 CO 0.00 0.65 0.03 1.23 -0.34 0.00 0.00 178.44 180.01 2d8m h GLY 78 N -0.63 1.06 0.57 3.75 0.00 -1.62 -3.10 103.07 103.10 2d8m h GLY 78 Ca -0.00 -0.76 0.06 0.00 0.00 0.00 0.00 47.33 46.63 2d8m h GLY 78 CO 0.00 0.70 0.11 1.41 0.00 0.00 0.00 176.54 178.76 2d8m h LEU 79 N 0.87 0.08 0.00 3.11 3.38 -1.63 -3.46 115.31 117.66 2d8m h LEU 79 Ca 0.16 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2d8m h LEU 79 Cb 0.51 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2d8m h LEU 79 CO 0.02 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2d8m n GLY 80 N -1.24 1.93 3.91 0.83 0.00 -1.12 -5.13 105.19 104.36 2d8m n GLY 80 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.93 1.53 -0.73 -0.02 0.00 -0.66 -5.01 107.32 100.51 2d8m s GLY 81 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 44.72 43.89 2d8m s GLY 81 CO 0.00 -0.42 1.31 -1.60 0.00 0.00 0.00 173.10 172.39 2d8m s ARG 82 N -4.48 3.17 -0.37 2.90 6.06 -0.99 -4.74 118.95 120.50 2d8m s ARG 82 Ca 0.46 -0.19 -0.22 0.00 -2.50 0.00 0.00 55.73 53.27 2d8m s ARG 82 Cb -0.10 -4.19 0.01 0.00 0.06 0.00 0.00 34.95 30.73 2d8m s ARG 82 CO 0.41 -2.17 0.75 0.42 -2.50 0.00 0.00 175.30 172.20 2d8m s ILE 83 N 5.89 4.77 0.20 4.11 1.01 -1.26 -1.70 121.20 134.22 2d8m s ILE 83 Ca 0.37 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.84 2d8m s ILE 83 Cb -0.08 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2d8m s ILE 83 CO 0.15 -0.42 -0.06 0.68 0.00 0.00 0.00 174.94 175.29 2d8m s VAL 84 N 3.01 1.23 0.71 2.92 -7.23 -1.01 -1.84 120.40 118.18 2d8m s VAL 84 Ca 0.29 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 2d8m s VAL 84 Cb -0.13 -2.13 0.17 0.00 0.56 0.00 0.00 36.38 34.84 2d8m s VAL 84 CO 0.17 -0.51 0.85 0.54 -0.31 0.00 0.00 175.10 175.83 2d8m n ARG 85 N -0.35 -1.34 0.08 4.82 1.74 -1.14 -2.50 116.66 117.97 2d8m n ARG 85 Ca -0.07 -1.32 -0.17 0.00 -0.77 0.00 0.00 57.85 55.52 2d8m n ARG 85 Cb 0.62 -0.97 -0.14 0.00 -1.02 0.00 0.00 32.46 30.95 2d8m n ARG 85 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2d8m h LYS 86 N 0.00 0.26 -0.73 5.56 2.10 -1.87 -3.30 116.57 118.59 2d8m h LYS 86 Ca -0.29 -0.45 0.21 0.00 -2.00 0.00 0.00 60.65 58.13 2d8m h LYS 86 Cb 0.81 0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 32.28 2d8m h LYS 86 CO 0.20 1.15 0.99 0.93 -2.00 0.00 0.00 179.45 180.71 2d8m h GLU 87 N 0.07 0.00 0.31 0.07 3.07 -1.94 0.27 114.58 116.43 2d8m h GLU 87 Ca -0.21 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.63 2d8m h GLU 87 Cb 2.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.92 2d8m h GLU 87 CO 0.18 0.00 -0.15 2.35 -1.40 0.00 0.00 179.01 179.99 2d8m h TRP 88 N 0.00 -0.39 0.31 4.33 7.01 -1.96 -0.71 115.95 124.54 2d8m h TRP 88 Ca 0.34 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 2d8m h TRP 88 Cb 2.31 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 29.51 2d8m h TRP 88 CO 0.00 -0.22 -0.15 0.28 -2.79 0.00 0.00 178.44 175.56 2d8m h VAL 89 N -0.46 0.69 -0.40 2.65 2.07 -0.72 -1.28 116.25 118.79 2d8m h VAL 89 Ca -0.04 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.01 2d8m h VAL 89 Cb 0.35 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 2d8m h VAL 89 CO 0.07 0.10 -0.39 -0.07 0.02 0.00 0.00 177.57 177.31 2d8m h LEU 90 N -0.73 -1.29 -0.48 2.57 3.38 -1.54 0.16 115.31 117.38 2d8m h LEU 90 Ca -0.04 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2d8m h LEU 90 Cb 0.49 0.58 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2d8m h LEU 90 CO 0.07 -0.35 0.27 -0.78 0.09 0.00 0.00 178.44 177.74 2d8m h ASP 91 N -0.30 0.43 0.50 -0.43 3.58 -1.17 0.15 116.42 119.18 2d8m h ASP 91 Ca 0.15 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2d8m h ASP 91 Cb 0.57 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2d8m h ASP 91 CO -0.56 0.30 -0.51 0.00 -2.88 0.00 0.00 179.24 175.59 2d8m h HIS 93 N -1.01 -0.57 -0.56 0.00 -0.00 -0.64 1.79 115.15 114.16 2d8m h HIS 93 Ca -0.06 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.38 2d8m h HIS 93 Cb 0.87 0.23 -0.10 0.00 -0.00 0.00 0.00 27.41 28.42 2d8m h HIS 93 CO -0.26 -0.31 -0.53 -0.09 -0.00 0.00 0.00 177.93 176.74 2d8m h ARG 94 N -0.42 -0.27 -0.00 5.26 2.43 -0.53 0.46 114.38 121.31 2d8m h ARG 94 Ca 0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2d8m h ARG 94 Cb 0.43 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2d8m h ARG 94 CO -0.11 -0.18 -0.03 -1.33 -1.51 0.00 0.00 179.97 176.81 2d8m n MET 95 N -5.36 1.02 -4.23 0.20 2.81 0.40 -4.91 117.12 107.05 2d8m n MET 95 Ca -0.01 -0.28 -0.33 0.00 -1.81 0.00 0.00 57.70 55.27 2d8m n MET 95 Cb 0.33 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.30 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 -0.75 -2.33 -4.02 0.03 1.74 0.60 -4.93 116.66 107.00 2d8m n ARG 96 Ca 0.20 0.28 -0.08 0.00 -0.77 0.00 0.00 57.85 57.48 2d8m n ARG 96 Cb 0.22 -4.57 -0.10 0.00 -1.02 0.00 0.00 32.46 27.00 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 -6.98 0.59 -0.55 5.56 1.70 -0.61 -4.96 118.95 113.70 2d8m s ARG 97 Ca 0.41 -1.01 -0.28 0.00 -0.47 0.00 0.00 55.73 54.37 2d8m s ARG 97 Cb -0.23 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.40 2d8m s ARG 97 CO 0.95 -0.13 1.19 0.50 -1.08 0.00 0.00 175.30 176.73 2d8m s ARG 98 N -3.30 3.57 0.14 3.89 3.52 -1.26 -4.53 118.95 120.98 2d8m s ARG 98 Ca 0.01 0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.95 2d8m s ARG 98 Cb 0.03 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 2d8m s ARG 98 CO -0.08 -1.61 0.34 -0.51 -0.81 0.00 0.00 175.30 172.63 2d8m s LEU 99 N 4.87 4.28 -0.40 -0.88 1.43 -1.26 -5.04 118.68 121.68 2d8m s LEU 99 Ca 0.45 0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 53.71 2d8m s LEU 99 Cb -0.08 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 2d8m s LEU 99 CO 0.27 0.05 1.73 -2.16 0.23 0.00 0.00 176.35 176.47 2d8m s PRO 100 N -2.85 3.25 0.03 1.29 0.04 -1.26 -4.85 135.00 130.65 2d8m s PRO 100 Ca 0.39 1.17 0.13 0.00 0.04 0.00 0.00 61.00 62.73 2d8m s PRO 100 Cb -0.12 -4.20 0.55 0.00 0.04 0.00 0.00 34.50 30.77 2d8m s PRO 100 CO 0.27 -1.96 1.41 -1.13 0.04 0.00 0.00 177.00 175.62 2d8m n SER 101 N 10.45 0.07 0.18 6.66 3.41 -1.26 -2.19 113.62 130.94 2d8m n SER 101 Ca 0.21 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.38 2d8m n SER 101 Cb 0.48 -0.53 0.34 0.00 -0.26 0.00 0.00 64.21 64.24 2d8m n SER 101 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2d8m h GLN 102 N 0.00 0.00 -0.00 4.33 3.07 -1.94 -2.31 115.11 118.26 2d8m h GLN 102 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2d8m h GLN 102 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 2d8m h GLN 102 CO 0.00 0.40 -0.02 0.54 0.09 0.00 0.00 178.83 179.85 2d8m n ARG 103 N -3.79 0.77 -0.13 0.06 1.74 -0.93 -3.13 116.66 111.25 2d8m n ARG 103 Ca -0.01 -0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.09 2d8m n ARG 103 Cb 0.47 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.56 2d8m n ARG 103 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2d8m n TYR 104 N -1.05 0.03 -2.29 -1.55 4.02 -0.87 -5.04 117.16 110.40 2d8m n TYR 104 Ca 0.19 -1.05 -0.42 0.00 -0.01 0.00 0.00 57.90 56.61 2d8m n TYR 104 Cb 0.19 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.32 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 -2.92 4.41 -0.17 7.72 1.43 -1.18 -2.89 118.68 125.08 2d8m s LEU 105 Ca 0.33 2.26 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2d8m s LEU 105 Cb 0.29 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.82 2d8m s LEU 105 CO 0.02 -0.50 -0.01 0.24 0.23 0.00 0.00 176.35 176.34 2d8m h MET 106 N 5.93 0.00 0.00 1.70 2.86 -1.73 -3.43 114.93 120.26 2d8m h MET 106 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2d8m h MET 106 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2d8m h MET 106 CO 0.79 0.42 0.00 0.00 1.06 0.00 0.00 176.91 179.18 2d8m n ALA 107 N -3.51 1.54 -1.79 6.32 0.00 -1.26 -5.07 120.51 116.73 2d8m n ALA 107 Ca -0.17 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.37 2d8m n ALA 107 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 2d8m n ALA 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2d8m s GLY 108 N -0.29 2.69 0.45 0.00 0.00 -1.26 -4.96 107.32 103.94 2d8m s GLY 108 Ca 0.00 0.55 0.24 0.00 0.00 0.00 0.00 44.72 45.51 2d8m s GLY 108 CO 0.00 0.95 1.87 -0.56 0.00 0.00 0.00 173.10 175.36 2d8m h PRO 109 N 2.66 0.00 -4.40 2.90 0.13 -1.97 -3.46 132.00 127.86 2d8m h PRO 109 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 2d8m h PRO 109 Cb 1.20 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 2d8m h PRO 109 CO 0.63 0.23 -0.01 0.41 -0.23 0.00 0.00 178.00 179.04 2d8m n GLY 110 N -0.07 -0.33 3.15 1.56 0.00 -1.26 -4.94 105.19 103.29 2d8m n GLY 110 Ca -0.01 0.52 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 2d8m n GLY 110 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8m n SER 111 N 1.14 -0.78 -4.40 1.61 7.64 -1.26 -4.93 113.62 112.64 2d8m n SER 111 Ca 0.14 -3.10 -0.49 0.00 1.01 0.00 0.00 58.87 56.44 2d8m n SER 111 Cb 0.07 1.75 -0.13 0.00 -1.01 0.00 0.00 64.21 64.89 2d8m n SER 111 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8m n SER 112 N -1.71 0.58 -3.50 6.43 2.88 -1.26 -0.52 113.62 116.52 2d8m n SER 112 Ca 0.07 0.37 -0.27 0.00 -1.33 0.00 0.00 58.87 57.71 2d8m n SER 112 Cb 0.59 -0.94 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 2d8m n SER 112 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8m n SER 113 N 9.39 -1.26 -2.05 -3.46 7.64 -1.26 -4.73 113.62 117.89 2d8m n SER 113 Ca 0.60 -0.75 -0.25 0.00 1.01 0.00 0.00 58.87 59.48 2d8m n SER 113 Cb 0.02 -1.11 0.12 0.00 -1.01 0.00 0.00 64.21 62.23 2d8m n SER 113 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2d8m n GLU 114 N -2.94 2.54 -4.24 1.43 2.13 0.32 -4.97 120.64 114.92 2d8m n GLU 114 Ca 0.08 -3.32 -0.16 0.00 0.66 0.00 0.00 57.16 54.41 2d8m n GLU 114 Cb 0.33 -2.17 -0.09 0.00 0.27 0.00 0.00 31.44 29.78 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2d8m s GLU 115 N -3.55 1.56 -0.09 5.31 0.41 -1.26 -4.53 118.70 116.55 2d8m s GLU 115 Ca 0.57 -1.86 0.11 0.00 -0.41 0.00 0.00 54.97 53.39 2d8m s GLU 115 Cb 0.47 0.31 0.48 0.00 -1.78 0.00 0.00 34.13 33.62 2d8m s GLU 115 CO 0.03 -0.56 1.32 -3.47 -0.49 0.00 0.00 175.26 172.09 2d8m n ASP 116 N -1.07 3.42 0.26 -0.19 -0.08 -1.26 -4.40 116.55 113.23 2d8m n ASP 116 Ca 0.05 -2.35 0.08 0.00 -1.51 0.00 0.00 54.79 51.06 2d8m n ASP 116 Cb 0.64 -0.50 0.44 0.00 2.34 0.00 0.00 41.12 44.04 2d8m n ASP 116 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2d8m h GLU 117 N 2.65 0.00 -0.94 -0.67 4.81 -1.97 -2.59 114.58 115.86 2d8m h GLU 117 Ca 0.00 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 59.58 2d8m h GLU 117 Cb 1.11 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.38 2d8m h GLU 117 CO 0.19 0.00 0.57 0.00 -0.73 0.00 0.00 179.01 179.04 2d8m n ALA 118 N -1.65 0.94 -2.47 2.92 0.00 -1.26 -3.91 120.51 115.08 2d8m n ALA 118 Ca -0.01 0.71 -0.43 0.00 0.00 0.00 0.00 53.44 53.71 2d8m n ALA 118 Cb 0.50 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 2d8m n ALA 118 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2d8m s SER 119 N -4.46 6.64 -0.15 0.00 0.01 -0.98 -4.89 113.70 109.87 2d8m s SER 119 Ca -0.06 0.97 -0.11 0.00 1.31 0.00 0.00 55.95 58.06 2d8m s SER 119 Cb 0.24 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2d8m s SER 119 CO 0.61 -1.15 -0.17 0.00 0.41 0.00 0.00 173.24 172.94 2d8m n HIS 120 N 7.79 0.84 -3.93 2.43 1.44 -1.25 -5.07 115.22 117.46 2d8m n HIS 120 Ca 0.14 0.36 -0.09 0.00 -2.01 0.00 0.00 57.72 56.12 2d8m n HIS 120 Cb 0.47 -0.77 -0.03 0.00 0.12 0.00 0.00 29.99 29.78 2d8m n HIS 120 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2d8m s SER 121 N -5.86 0.01 -0.39 4.39 0.15 -1.26 -5.08 113.70 105.66 2d8m s SER 121 Ca -0.18 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 55.55 2d8m s SER 121 Cb 0.03 0.70 0.11 0.00 -1.71 0.00 0.00 66.02 65.15 2d8m s SER 121 CO 0.27 -1.34 0.14 -0.83 1.20 0.00 0.00 173.24 172.68 2d8m s GLY 122 N -3.03 1.84 -0.05 9.45 0.00 -1.26 -4.80 107.32 109.47 2d8m s GLY 122 Ca 0.19 -2.55 -0.00 0.00 0.00 0.00 0.00 44.72 42.36 2d8m s GLY 122 CO 0.10 1.20 0.04 0.61 0.00 0.00 0.00 173.10 175.05 2d8m n GLY 123 N 3.98 0.54 3.89 0.20 0.00 -1.26 -5.06 105.19 107.48 2d8m n GLY 123 Ca 0.04 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2d8m n GLY 123 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8m s SER 124 N -3.04 6.49 0.00 1.61 0.15 -1.26 -4.94 113.70 112.71 2d8m s SER 124 Ca 0.01 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2d8m s SER 124 Cb -0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2d8m s SER 124 CO 0.03 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2d8m n GLY 125 N 0.70 0.70 3.55 9.45 0.00 -1.26 -5.06 105.19 113.27 2d8m n GLY 125 Ca -0.08 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2d8m n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8m s PRO 126 N 0.00 2.61 0.36 1.61 0.04 -1.26 -4.89 135.00 133.47 2d8m s PRO 126 Ca 0.00 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.41 2d8m s PRO 126 Cb 0.00 -4.50 0.04 0.00 0.04 0.00 0.00 34.50 30.08 2d8m s PRO 126 CO 0.00 -2.85 0.65 0.43 0.04 0.00 0.00 177.00 175.27 2d8m n SER 127 N 12.98 -1.87 -4.64 6.66 7.64 -1.26 -5.13 113.62 127.99 2d8m n SER 127 Ca 0.24 -2.62 -0.42 0.00 1.01 0.00 0.00 58.87 57.08 2d8m n SER 127 Cb 0.51 3.21 -0.04 0.00 -1.01 0.00 0.00 64.21 66.88 2d8m n SER 127 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d8m s SER 128 N -3.00 6.84 0.00 6.43 0.01 -1.26 -5.23 113.70 117.48 2d8m s SER 128 Ca 0.20 1.03 0.11 0.00 1.31 0.00 0.00 55.95 58.59 2d8m s SER 128 Cb -0.03 -2.44 0.08 0.00 0.21 0.00 0.00 66.02 63.84 2d8m s SER 128 CO 0.14 -0.54 0.84 0.61 0.41 0.00 0.00 173.24 174.70