#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 -0.69 0.08 1.61 0.15 -1.26 -5.18 113.70 108.41 2d8m s SER 2 Ca 0.00 1.01 -0.26 0.00 0.70 0.00 0.00 55.95 57.40 2d8m s SER 2 Cb 0.00 0.91 0.09 0.00 -1.71 0.00 0.00 66.02 65.31 2d8m s SER 2 CO 0.00 -0.46 1.16 -0.94 1.20 0.00 0.00 173.24 174.20 2d8m s SER 3 N -0.56 -0.02 0.00 5.45 1.04 -1.26 -5.19 113.70 113.16 2d8m s SER 3 Ca -0.07 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2d8m s SER 3 Cb -0.02 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2d8m s SER 3 CO 0.06 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2d8m n GLY 4 N -0.73 1.61 3.08 7.32 0.00 -1.26 -5.15 105.19 110.05 2d8m n GLY 4 Ca -0.01 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 2d8m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 5 N 0.00 2.87 -0.06 1.61 1.04 -1.26 -5.12 113.70 112.79 2d8m s SER 5 Ca 0.00 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 55.92 2d8m s SER 5 Cb 0.00 -1.31 -0.00 0.00 0.10 0.00 0.00 66.02 64.81 2d8m s SER 5 CO 0.00 -0.01 -0.20 -0.94 0.98 0.00 0.00 173.24 173.07 2d8m s SER 6 N 1.30 2.53 -0.04 7.02 1.04 -1.26 -4.93 113.70 119.36 2d8m s SER 6 Ca 0.03 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 2d8m s SER 6 Cb -0.13 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2d8m s SER 6 CO -0.10 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2d8m n GLY 7 N 3.25 -2.90 2.64 7.32 0.00 -1.26 -5.01 105.19 109.24 2d8m n GLY 7 Ca -0.19 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2d8m n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2d8m n GLU 8 N 0.06 3.03 -1.19 1.61 0.28 -1.26 -5.08 120.64 118.08 2d8m n GLU 8 Ca 0.00 -4.74 -0.29 0.00 -0.16 0.00 0.00 57.16 51.97 2d8m n GLU 8 Cb 0.00 -2.28 0.15 0.00 1.43 0.00 0.00 31.44 30.75 2d8m n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2d8m s PRO 9 N -2.92 0.93 1.07 3.44 0.04 -1.26 -5.03 135.00 131.26 2d8m s PRO 9 Ca 0.42 0.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 2d8m s PRO 9 Cb 0.19 -1.78 0.23 0.00 0.04 0.00 0.00 34.50 33.18 2d8m s PRO 9 CO -0.05 -2.44 1.07 -0.98 0.04 0.00 0.00 177.00 174.64 2d8m s ARG 10 N -4.95 -0.12 0.17 4.56 1.04 -1.26 -5.06 118.95 113.34 2d8m s ARG 10 Ca 0.64 0.56 0.08 0.00 -1.04 0.00 0.00 55.73 55.98 2d8m s ARG 10 Cb -0.18 -1.67 -0.04 0.00 -2.04 0.00 0.00 34.95 31.02 2d8m s ARG 10 CO 0.57 -3.11 -0.07 1.03 -0.04 0.00 0.00 175.30 173.68 2d8m s ARG 11 N -4.82 2.15 0.43 3.89 1.81 -1.26 -5.03 118.95 116.11 2d8m s ARG 11 Ca 0.66 -1.21 0.21 0.00 -1.72 0.00 0.00 55.73 53.68 2d8m s ARG 11 Cb -0.20 -2.22 0.93 0.00 -0.45 0.00 0.00 34.95 33.00 2d8m s ARG 11 CO 0.60 0.44 1.85 -1.00 -0.68 0.00 0.00 175.30 176.51 2d8m h PRO 12 N 2.91 0.00 -6.21 3.54 0.13 -2.04 -3.45 132.00 126.88 2d8m h PRO 12 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 2d8m h PRO 12 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2d8m h PRO 12 CO 0.55 0.28 -0.24 1.03 -0.23 0.00 0.00 178.00 179.39 2d8m s ARG 13 N -3.82 2.30 -0.03 0.86 1.81 -1.26 -4.99 118.95 113.82 2d8m s ARG 13 Ca -0.01 -1.84 -0.02 0.00 -1.72 0.00 0.00 55.73 52.14 2d8m s ARG 13 Cb 0.12 -2.32 -0.08 0.00 -0.45 0.00 0.00 34.95 32.22 2d8m s ARG 13 CO 0.65 -0.67 2.58 0.00 -0.68 0.00 0.00 175.30 177.19 2d8m n ALA 14 N -1.92 4.94 -1.55 2.13 0.00 -1.26 -4.92 120.51 117.93 2d8m n ALA 14 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2d8m n ALA 14 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.76 -4.27 0.00 0.00 0.00 -1.26 -3.93 105.19 97.49 2d8m n GLY 15 Ca 0.18 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.94 0.30 -0.05 1.61 -0.04 -1.26 -3.09 135.00 130.53 2d8m n PRO 16 Ca 0.00 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2d8m n PRO 16 Cb 0.29 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 2d8m n PRO 16 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2d8m h GLU 17 N 0.00 -0.01 -1.21 0.54 4.57 -1.90 -2.71 114.58 113.86 2d8m h GLU 17 Ca 0.00 0.00 0.35 0.00 -1.18 0.00 0.00 59.36 58.53 2d8m h GLU 17 Cb 0.09 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.60 2d8m h GLU 17 CO 0.00 0.83 0.83 1.49 -1.18 0.00 0.00 179.01 180.98 2d8m h GLU 18 N -0.91 0.16 0.09 1.92 4.57 -1.66 0.98 114.58 119.72 2d8m h GLU 18 Ca -0.00 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2d8m h GLU 18 Cb 0.85 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2d8m h GLU 18 CO 0.00 0.10 -0.53 -0.07 -1.18 0.00 0.00 179.01 177.34 2d8m h LEU 19 N 0.16 0.29 0.00 1.64 -0.00 -1.72 -3.26 115.31 112.41 2d8m h LEU 19 Ca 0.65 -0.97 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2d8m h LEU 19 Cb 2.15 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.72 2d8m h LEU 19 CO -0.19 1.25 0.01 0.61 -0.00 0.00 0.00 178.44 180.12 2d8m n GLY 20 N 1.65 -0.49 0.89 0.83 0.00 0.89 -0.04 105.19 108.91 2d8m n GLY 20 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2d8m n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d8m n LYS 21 N -1.49 2.20 -0.08 1.61 4.76 -0.60 -3.66 118.16 120.90 2d8m n LYS 21 Ca 0.00 -1.77 -0.08 0.00 -2.87 0.00 0.00 58.31 53.59 2d8m n LYS 21 Cb 0.01 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 2d8m n LYS 21 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2d8m n ILE 22 N 1.07 1.45 -1.58 -0.18 5.41 0.94 -4.54 119.36 121.93 2d8m n ILE 22 Ca 0.17 0.15 -0.33 0.00 1.00 0.00 0.00 62.75 63.74 2d8m n ILE 22 Cb 0.53 -2.33 0.06 0.00 -0.71 0.00 0.00 39.64 37.18 2d8m n ILE 22 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2d8m n LEU 23 N -4.54 7.01 -4.59 1.39 4.77 0.56 -4.83 117.00 116.77 2d8m n LEU 23 Ca -0.13 -4.48 -0.42 0.00 -0.03 0.00 0.00 56.01 50.95 2d8m n LEU 23 Cb 0.39 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2d8m n LEU 23 CO 0.14 1.66 1.58 -1.58 -1.33 0.00 0.00 177.39 177.86 2d8m s GLN 24 N -3.80 3.13 0.00 3.23 0.74 -1.24 -2.16 119.66 119.56 2d8m s GLN 24 Ca 0.60 1.29 0.00 0.00 0.05 0.00 0.00 55.36 57.30 2d8m s GLN 24 Cb 0.48 -4.26 0.00 0.00 1.10 0.00 0.00 33.01 30.33 2d8m s GLN 24 CO -0.05 -2.10 0.00 0.41 -0.55 0.00 0.00 175.29 173.00 2d8m n GLY 25 N 5.51 1.39 3.27 2.59 0.00 -1.25 -4.75 105.19 111.95 2d8m n GLY 25 Ca 0.23 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 2.04 -0.28 1.61 1.01 -0.92 -4.58 120.40 117.28 2d8m s VAL 26 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2d8m s VAL 26 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2d8m s VAL 26 CO 0.00 0.57 -0.00 -0.69 0.00 0.00 0.00 175.10 174.98 2d8m s VAL 27 N -0.18 3.19 0.09 2.92 1.01 -1.26 -1.48 120.40 124.68 2d8m s VAL 27 Ca -0.03 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2d8m s VAL 27 Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2d8m s VAL 27 CO 0.03 0.05 0.16 0.68 0.00 0.00 0.00 175.10 176.02 2d8m s VAL 28 N 1.34 4.96 -0.10 2.92 -7.23 -0.35 -2.38 120.40 119.57 2d8m s VAL 28 Ca -0.01 -0.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2d8m s VAL 28 Cb -0.18 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.34 2d8m s VAL 28 CO -0.02 0.09 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.04 2d8m s VAL 29 N -1.51 1.34 -0.17 1.32 1.01 -1.16 -3.03 120.40 118.21 2d8m s VAL 29 Ca 0.32 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2d8m s VAL 29 Cb -0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2d8m s VAL 29 CO 0.25 0.41 0.70 -0.76 0.00 0.00 0.00 175.10 175.70 2d8m s LEU 30 N 1.01 4.18 -0.04 3.92 1.43 -1.26 -0.79 118.68 127.13 2d8m s LEU 30 Ca -0.07 0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 53.93 2d8m s LEU 30 Cb -0.15 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.07 2d8m s LEU 30 CO -0.01 -0.29 0.18 -0.55 0.23 0.00 0.00 176.35 175.91 2d8m s SER 31 N 1.13 -0.10 -1.22 2.29 0.15 -1.06 -4.88 113.70 110.00 2d8m s SER 31 Ca 0.33 0.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.04 2d8m s SER 31 Cb -0.16 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 2d8m s SER 31 CO 0.12 -0.23 0.78 0.61 1.20 0.00 0.00 173.24 175.72 2d8m n GLY 32 N 2.17 -0.58 3.42 9.45 0.00 -1.26 -3.75 105.19 114.64 2d8m n GLY 32 Ca -0.18 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.56 1.88 0.56 1.61 0.08 -1.26 -4.03 117.98 113.25 2d8m s PHE 33 Ca 0.17 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.46 2d8m s PHE 33 Cb -0.04 -1.12 0.05 0.00 -0.57 0.00 0.00 43.02 41.33 2d8m s PHE 33 CO 0.80 0.14 0.43 -0.65 -0.10 0.00 0.00 175.22 175.84 2d8m s GLN 34 N -3.80 2.24 0.14 0.44 -0.21 -1.26 -4.94 119.66 112.27 2d8m s GLN 34 Ca 0.31 -2.04 0.03 0.00 0.02 0.00 0.00 55.36 53.68 2d8m s GLN 34 Cb 0.06 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2d8m s GLN 34 CO 0.12 -0.67 -0.07 0.54 -2.12 0.00 0.00 175.29 173.09 2d8m s ASN 35 N -4.31 1.52 0.00 5.90 2.20 -1.26 0.13 114.94 119.11 2d8m s ASN 35 Ca 0.34 -1.04 0.15 0.00 -0.94 0.00 0.00 52.86 51.37 2d8m s ASN 35 Cb -0.02 0.04 0.85 0.00 -2.00 0.00 0.00 41.25 40.12 2d8m s ASN 35 CO 0.21 -0.41 1.37 -0.81 -2.94 0.00 0.00 177.10 174.53 2d8m n PRO 36 N -0.16 0.37 -0.23 3.55 -0.04 -1.26 -4.85 135.00 132.38 2d8m n PRO 36 Ca -0.10 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2d8m n PRO 36 Cb 0.61 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.77 2d8m n PRO 36 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2d8m n PHE 37 N -1.12 0.43 -0.33 0.54 7.35 -1.21 0.59 117.46 123.71 2d8m n PHE 37 Ca 0.10 0.80 -0.07 0.00 -0.76 0.00 0.00 57.45 57.51 2d8m n PHE 37 Cb 0.08 -1.00 -0.03 0.00 0.35 0.00 0.00 39.48 38.88 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 -0.09 0.03 -4.13 2.43 0.73 0.31 114.38 113.66 2d8m h ARG 38 Ca 0.40 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.61 2d8m h ARG 38 Cb 0.84 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 2d8m h ARG 38 CO -0.62 -0.06 -0.29 1.03 -1.51 0.00 0.00 179.97 178.52 2d8m h SER 39 N -0.09 -0.85 -0.70 -3.80 0.87 -0.13 0.10 113.55 108.96 2d8m h SER 39 Ca 0.22 0.11 0.15 0.00 -1.23 0.00 0.00 61.79 61.04 2d8m h SER 39 Cb 0.53 0.34 -0.12 0.00 -0.44 0.00 0.00 62.40 62.70 2d8m h SER 39 CO -0.86 -0.36 -0.01 -0.08 -0.53 0.00 0.00 176.83 174.99 2d8m h GLU 40 N -0.45 0.10 -0.63 2.24 4.57 -1.01 0.17 114.58 119.57 2d8m h GLU 40 Ca 0.05 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2d8m h GLU 40 Cb 0.52 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2d8m h GLU 40 CO -0.23 0.06 0.08 1.25 -1.18 0.00 0.00 179.01 178.99 2d8m h LEU 41 N 0.10 1.02 0.89 1.64 5.85 -0.38 -3.01 115.31 121.42 2d8m h LEU 41 Ca 0.37 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2d8m h LEU 41 Cb 0.63 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.39 2d8m h LEU 41 CO -0.62 1.04 -0.43 -0.09 -0.34 0.00 0.00 178.44 178.00 2d8m h ARG 42 N 0.97 -1.15 -0.84 1.25 2.43 0.17 -2.35 114.38 114.85 2d8m h ARG 42 Ca 0.19 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.56 2d8m h ARG 42 Cb 0.47 0.26 -0.14 0.00 -0.42 0.00 0.00 29.97 30.15 2d8m h ARG 42 CO 0.02 -0.77 -0.42 0.22 -1.51 0.00 0.00 179.97 177.51 2d8m h ASP 43 N -1.22 -1.53 -0.55 -3.80 1.82 -0.80 0.31 116.42 110.65 2d8m h ASP 43 Ca -0.12 0.29 0.10 0.00 -0.39 0.00 0.00 57.03 56.91 2d8m h ASP 43 Cb 0.92 0.75 -0.08 0.00 0.68 0.00 0.00 39.33 41.59 2d8m h ASP 43 CO 0.20 -0.29 0.08 0.11 -1.61 0.00 0.00 179.24 177.73 2d8m h LYS 44 N -0.08 0.20 -0.11 0.28 1.57 -1.47 0.11 116.57 117.08 2d8m h LYS 44 Ca 0.26 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2d8m h LYS 44 Cb 0.55 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2d8m h LYS 44 CO -0.87 0.14 -0.06 0.00 -0.57 0.00 0.00 179.45 178.09 2d8m h ALA 45 N 1.45 1.71 -0.05 3.86 0.00 0.03 -2.57 119.26 123.69 2d8m h ALA 45 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2d8m h ALA 45 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2d8m h ALA 45 CO -0.39 0.22 -0.05 -0.07 0.00 0.00 0.00 179.25 178.96 2d8m h LEU 46 N 0.15 0.13 -0.55 0.00 3.38 0.17 -1.98 115.31 116.61 2d8m h LEU 46 Ca 0.04 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.59 2d8m h LEU 46 Cb 0.21 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2d8m h LEU 46 CO 0.01 0.59 0.22 -0.33 0.09 0.00 0.00 178.44 179.02 2d8m h GLU 47 N -0.33 0.40 0.00 1.13 4.39 -0.89 0.17 114.58 119.45 2d8m h GLU 47 Ca 0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2d8m h GLU 47 Cb 0.56 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2d8m h GLU 47 CO 0.01 0.26 0.10 1.28 -1.16 0.00 0.00 179.01 179.51 2d8m n LEU 48 N -4.98 0.44 -0.00 1.33 4.77 -0.99 -0.08 117.00 117.49 2d8m n LEU 48 Ca 0.07 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 2d8m n LEU 48 Cb 0.22 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2d8m n LEU 48 CO 0.24 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 2d8m n GLY 49 N -1.30 1.20 3.74 -0.72 0.00 0.61 -0.32 105.19 108.41 2d8m n GLY 49 Ca -0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.01 3.46 -0.01 4.61 0.00 -0.75 -3.89 121.76 123.17 2d8m s ALA 50 Ca 0.00 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 2d8m s ALA 50 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2d8m s ALA 50 CO 0.00 0.67 0.56 0.15 0.00 0.00 0.00 175.76 177.14 2d8m s LYS 51 N -2.54 4.27 -0.36 0.00 1.02 -0.55 -4.30 119.74 117.29 2d8m s LYS 51 Ca 0.28 0.66 -0.11 0.00 0.02 0.00 0.00 55.97 56.83 2d8m s LYS 51 Cb -0.11 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2d8m s LYS 51 CO 0.21 0.39 0.20 -0.47 -0.92 0.00 0.00 175.35 174.76 2d8m s TYR 52 N -0.25 3.23 -0.04 3.18 5.04 -1.26 -1.21 117.35 126.04 2d8m s TYR 52 Ca 0.29 -0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 54.02 2d8m s TYR 52 Cb -0.18 -2.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.67 2d8m s TYR 52 CO 0.16 -0.61 0.08 1.03 -1.34 0.00 0.00 175.55 174.87 2d8m s ARG 53 N 1.56 3.14 0.13 4.97 1.81 -1.17 -4.99 118.95 124.41 2d8m s ARG 53 Ca 0.02 -0.40 0.19 0.00 -1.72 0.00 0.00 55.73 53.83 2d8m s ARG 53 Cb -0.19 -2.92 0.80 0.00 -0.45 0.00 0.00 34.95 32.19 2d8m s ARG 53 CO 0.07 0.68 1.59 -0.35 -0.68 0.00 0.00 175.30 176.60 2d8m n PRO 54 N 1.49 0.10 -3.61 3.54 -0.04 -1.26 -4.12 135.00 131.11 2d8m n PRO 54 Ca -0.15 0.34 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 2d8m n PRO 54 Cb 0.53 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 2d8m n PRO 54 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2d8m s ASP 55 N -3.64 -0.36 0.15 3.54 1.47 -1.26 -4.96 116.67 111.61 2d8m s ASP 55 Ca 0.05 -0.21 -0.31 0.00 1.18 0.00 0.00 52.55 53.26 2d8m s ASP 55 Cb 0.09 0.54 -0.11 0.00 -0.34 0.00 0.00 42.92 43.11 2d8m s ASP 55 CO 0.32 -0.94 1.76 0.86 0.68 0.00 0.00 175.17 177.85 2d8m s TRP 56 N -3.51 2.50 0.38 2.11 -0.11 -1.26 -4.99 118.94 114.06 2d8m s TRP 56 Ca 0.07 0.18 0.01 0.00 1.22 0.00 0.00 56.10 57.58 2d8m s TRP 56 Cb -0.02 -4.13 -0.01 0.00 -1.50 0.00 0.00 33.47 27.82 2d8m s TRP 56 CO -0.05 -4.47 0.05 0.25 -4.62 0.00 0.00 176.95 168.12 2d8m n THR 57 N 4.42 0.00 1.34 5.86 -2.24 -1.26 -5.02 114.28 117.38 2d8m n THR 57 Ca 0.17 -1.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.11 2d8m n THR 57 Cb 0.37 0.53 0.71 0.00 -2.10 0.00 0.00 70.33 69.85 2d8m n THR 57 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2d8m n ARG 58 N -0.92 0.41 -0.00 -0.78 1.85 -1.26 -2.84 116.66 113.12 2d8m n ARG 58 Ca -0.12 0.02 0.07 0.00 -1.00 0.00 0.00 57.85 56.83 2d8m n ARG 58 Cb 0.52 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.33 2d8m n ARG 58 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2d8m n ASP 59 N -1.28 0.94 -4.72 2.89 8.00 -1.26 -4.98 116.55 116.15 2d8m n ASP 59 Ca 0.13 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.63 2d8m n ASP 59 Cb 0.22 1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 42.51 2d8m n ASP 59 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2d8m s SER 60 N -2.84 6.64 -0.22 -2.24 0.01 -1.13 -4.64 113.70 109.29 2d8m s SER 60 Ca 0.02 2.55 -0.04 0.00 1.31 0.00 0.00 55.95 59.79 2d8m s SER 60 Cb 0.11 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 2d8m s SER 60 CO 0.62 -0.79 -0.23 0.35 0.41 0.00 0.00 173.24 173.61 2d8m n THR 61 N 3.97 1.21 -4.34 1.44 -2.24 -1.04 -4.90 114.28 108.38 2d8m n THR 61 Ca 0.13 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 2d8m n THR 61 Cb 0.39 -1.49 -0.12 0.00 -2.10 0.00 0.00 70.33 67.02 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 1.93 -0.23 4.78 3.76 -1.00 -1.80 115.29 120.31 2d8m s HIS 62 Ca -0.29 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 2d8m s HIS 62 Cb 0.09 -1.00 0.04 0.00 1.11 0.00 0.00 32.58 32.83 2d8m s HIS 62 CO 0.44 0.32 -0.14 -1.17 -0.85 0.00 0.00 174.74 173.34 2d8m s LEU 63 N -2.37 2.87 -0.43 0.89 2.96 0.61 -2.97 118.68 120.23 2d8m s LEU 63 Ca 0.13 -1.09 -0.28 0.00 -0.22 0.00 0.00 54.13 52.67 2d8m s LEU 63 Cb -0.08 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.15 2d8m s LEU 63 CO 0.06 -0.12 1.08 -0.63 -1.32 0.00 0.00 176.35 175.43 2d8m s ILE 64 N 1.20 4.33 0.14 6.68 -1.09 0.03 -2.51 121.20 129.98 2d8m s ILE 64 Ca -0.03 1.28 0.08 0.00 -2.23 0.00 0.00 60.65 59.75 2d8m s ILE 64 Cb -0.17 -4.52 -0.04 0.00 -1.58 0.00 0.00 42.46 36.14 2d8m s ILE 64 CO -0.08 -0.83 -0.10 0.00 -1.23 0.00 0.00 174.94 172.69 2d8m h ALA 66 N 3.30 0.66 -1.97 0.00 0.00 -1.70 -3.04 119.26 116.51 2d8m h ALA 66 Ca -0.48 -1.16 0.24 0.00 0.00 0.00 0.00 54.91 53.51 2d8m h ALA 66 Cb 1.18 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 2d8m h ALA 66 CO 0.53 1.31 0.63 -0.59 0.00 0.00 0.00 179.25 181.13 2d8m s PHE 67 N -2.71 -0.09 0.60 0.00 -0.12 -1.26 -4.89 117.98 109.50 2d8m s PHE 67 Ca -0.03 -0.13 -0.08 0.00 -0.05 0.00 0.00 56.93 56.64 2d8m s PHE 67 Cb 0.08 0.60 0.13 0.00 -0.63 0.00 0.00 43.02 43.21 2d8m s PHE 67 CO 0.82 -0.60 0.82 0.00 -0.05 0.00 0.00 175.22 176.20 2d8m n ALA 68 N -0.48 -0.71 -2.66 1.99 0.00 -1.26 -4.44 120.51 112.94 2d8m n ALA 68 Ca -0.07 -1.18 -0.17 0.00 0.00 0.00 0.00 53.44 52.02 2d8m n ALA 68 Cb 0.62 0.01 0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -3.40 -5.05 -4.60 0.00 4.13 -1.26 -5.01 115.26 100.06 2d8m n ASN 69 Ca 0.11 -0.15 -0.23 0.00 1.68 0.00 0.00 54.58 55.98 2d8m n ASN 69 Cb 0.38 -3.99 -0.08 0.00 -1.54 0.00 0.00 39.78 34.55 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2d8m s THR 70 N -2.96 3.16 0.01 3.41 -4.23 -1.26 -5.06 115.64 108.71 2d8m s THR 70 Ca 0.15 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.40 2d8m s THR 70 Cb -0.07 -2.71 -0.17 0.00 1.34 0.00 0.00 72.50 70.88 2d8m s THR 70 CO 0.19 -0.37 1.31 1.55 -0.54 0.00 0.00 174.62 176.76 2d8m h PRO 71 N 1.97 0.18 0.00 3.99 0.13 -1.96 -3.02 132.00 133.28 2d8m h PRO 71 Ca -0.43 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2d8m h PRO 71 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2d8m h PRO 71 CO 0.61 0.61 0.00 1.63 -0.23 0.00 0.00 178.00 180.61 2d8m n LYS 72 N -4.71 0.18 -0.04 0.86 4.76 -1.26 -1.59 118.16 116.36 2d8m n LYS 72 Ca -0.07 0.40 -0.14 0.00 -2.87 0.00 0.00 58.31 55.62 2d8m n LYS 72 Cb 0.30 -1.83 -0.09 0.00 -1.84 0.00 0.00 35.03 31.57 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 0.44 0.00 2.13 3.20 -1.90 -3.11 116.97 117.73 2d8m h TYR 73 Ca 0.00 -0.18 -0.17 0.00 3.14 0.00 0.00 58.73 61.52 2d8m h TYR 73 Cb 0.37 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 2d8m h TYR 73 CO 0.00 0.89 -1.04 1.03 -1.64 0.00 0.00 178.16 177.40 2d8m h SER 74 N -0.13 0.00 -0.83 -2.11 0.87 -1.50 -3.10 113.55 106.75 2d8m h SER 74 Ca -0.01 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2d8m h SER 74 Cb 0.89 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 2d8m h SER 74 CO 0.06 0.69 0.53 -0.61 -0.53 0.00 0.00 176.83 176.97 2d8m h GLN 75 N 0.00 1.01 0.00 2.24 5.75 -1.37 -1.57 115.11 121.18 2d8m h GLN 75 Ca -0.09 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2d8m h GLN 75 Cb 1.60 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.93 2d8m h GLN 75 CO 0.07 0.67 -0.47 0.28 -2.65 0.00 0.00 178.83 176.73 2d8m n VAL 76 N -4.56 0.41 -0.05 2.39 0.31 -1.18 -3.83 118.33 111.82 2d8m n VAL 76 Ca 0.10 -0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.00 2d8m n VAL 76 Cb 0.08 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.89 -0.98 7.52 5.85 -1.22 -2.33 115.31 125.03 2d8m h LEU 77 Ca 0.00 -0.58 -0.10 0.00 0.84 0.00 0.00 57.88 58.04 2d8m h LEU 77 Cb 0.74 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2d8m h LEU 77 CO 0.00 1.31 -0.48 1.23 -0.34 0.00 0.00 178.44 180.16 2d8m h GLY 78 N 0.51 0.00 0.47 3.75 0.00 -1.51 -3.24 103.07 103.05 2d8m h GLY 78 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2d8m h GLY 78 CO 0.13 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 178.03 2d8m h LEU 79 N 0.00 -0.12 0.00 3.11 3.38 -1.65 -3.48 115.31 116.55 2d8m h LEU 79 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2d8m h LEU 79 Cb 0.90 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2d8m h LEU 79 CO 0.06 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2d8m n GLY 80 N 0.32 1.14 3.92 0.83 0.00 -1.03 -5.14 105.19 105.23 2d8m n GLY 80 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.14 1.65 -0.78 -0.02 0.00 -0.91 -5.01 107.32 101.12 2d8m s GLY 81 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.69 2d8m s GLY 81 CO 0.00 -0.48 1.08 -1.60 0.00 0.00 0.00 173.10 172.09 2d8m s ARG 82 N -5.09 3.30 -0.43 2.90 6.06 -0.75 -4.81 118.95 120.13 2d8m s ARG 82 Ca 0.57 -1.09 -0.24 0.00 -2.50 0.00 0.00 55.73 52.46 2d8m s ARG 82 Cb -0.11 -4.53 0.02 0.00 0.06 0.00 0.00 34.95 30.40 2d8m s ARG 82 CO 0.45 -1.86 0.85 0.42 -2.50 0.00 0.00 175.30 172.65 2d8m s ILE 83 N 3.85 4.59 0.26 4.11 1.01 -1.26 -0.28 121.20 133.48 2d8m s ILE 83 Ca 0.28 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.67 2d8m s ILE 83 Cb -0.11 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2d8m s ILE 83 CO 0.03 -0.69 0.04 0.68 0.00 0.00 0.00 174.94 175.00 2d8m s VAL 84 N 3.44 0.93 0.92 2.92 -7.23 -1.04 -2.20 120.40 118.14 2d8m s VAL 84 Ca 0.34 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2d8m s VAL 84 Cb -0.12 -2.54 0.18 0.00 0.56 0.00 0.00 36.38 34.46 2d8m s VAL 84 CO 0.22 -0.15 1.27 -0.13 -0.31 0.00 0.00 175.10 176.00 2d8m s ARG 85 N -3.92 0.90 0.08 4.82 0.52 -1.17 -2.43 118.95 117.75 2d8m s ARG 85 Ca 0.33 -0.43 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 2d8m s ARG 85 Cb 0.07 -1.91 -0.23 0.00 0.52 0.00 0.00 34.95 33.40 2d8m s ARG 85 CO 0.12 -2.22 1.20 1.57 0.02 0.00 0.00 175.30 175.99 2d8m h LYS 86 N -1.46 0.71 -1.43 3.54 2.10 -1.87 -3.25 116.57 114.91 2d8m h LYS 86 Ca -0.44 -0.75 0.44 0.00 -2.00 0.00 0.00 60.65 57.89 2d8m h LYS 86 Cb 1.25 0.21 -0.08 0.00 -0.90 0.00 0.00 32.23 32.71 2d8m h LYS 86 CO 0.41 1.33 1.00 0.39 -2.00 0.00 0.00 179.45 180.58 2d8m n GLU 87 N -3.86 -0.01 0.27 0.07 -0.58 -1.26 0.49 120.64 115.76 2d8m n GLU 87 Ca -0.11 0.92 -0.17 0.00 -0.42 0.00 0.00 57.16 57.38 2d8m n GLU 87 Cb 0.88 -2.00 -0.09 0.00 -0.57 0.00 0.00 31.44 29.66 2d8m n GLU 87 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2d8m h TRP 88 N 0.00 -1.18 0.32 -0.32 7.01 -1.96 0.24 115.95 120.05 2d8m h TRP 88 Ca 0.74 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.73 2d8m h TRP 88 Cb 2.78 0.46 0.00 0.00 -2.10 0.00 0.00 29.16 30.30 2d8m h TRP 88 CO -0.00 -0.60 -0.15 0.28 -2.79 0.00 0.00 178.44 175.18 2d8m h VAL 89 N -0.89 0.71 -0.00 2.65 2.07 -0.19 0.31 116.25 120.90 2d8m h VAL 89 Ca -0.05 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2d8m h VAL 89 Cb 0.78 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2d8m h VAL 89 CO -0.05 0.05 -0.50 -0.07 0.02 0.00 0.00 177.57 177.01 2d8m h LEU 90 N -0.56 -1.56 -0.56 2.57 3.38 -1.44 0.13 115.31 117.28 2d8m h LEU 90 Ca -0.04 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2d8m h LEU 90 Cb 0.41 0.59 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2d8m h LEU 90 CO 0.07 -0.49 0.25 0.44 0.09 0.00 0.00 178.44 178.80 2d8m h ASP 91 N -0.63 0.32 -0.47 -0.43 5.19 -0.56 0.15 116.42 119.98 2d8m h ASP 91 Ca 0.01 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 2d8m h ASP 91 Cb 0.68 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.12 2d8m h ASP 91 CO -0.34 0.21 0.10 0.00 -3.12 0.00 0.00 179.24 176.09 2d8m h HIS 93 N 0.24 -0.44 -0.71 0.00 -0.00 -0.12 1.06 115.15 115.17 2d8m h HIS 93 Ca 0.23 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.73 2d8m h HIS 93 Cb 0.30 0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 27.72 2d8m h HIS 93 CO -0.22 -0.11 -0.26 -0.09 -0.00 0.00 0.00 177.93 177.25 2d8m h ARG 94 N -0.83 -0.06 -0.00 5.26 9.65 -0.42 0.57 114.38 128.54 2d8m h ARG 94 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2d8m h ARG 94 Cb 0.53 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 2d8m h ARG 94 CO 0.08 -0.04 -0.28 -1.33 2.80 0.00 0.00 179.97 181.20 2d8m n MET 95 N -5.47 0.17 -4.04 0.20 2.81 0.44 -4.94 117.12 106.28 2d8m n MET 95 Ca 0.08 -0.07 -0.32 0.00 -1.81 0.00 0.00 57.70 55.57 2d8m n MET 95 Cb 0.38 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.35 -4.43 -4.10 0.03 1.74 0.35 -4.95 116.66 103.95 2d8m n ARG 96 Ca 0.08 0.50 -0.08 0.00 -0.77 0.00 0.00 57.85 57.57 2d8m n ARG 96 Cb 0.33 -5.28 -0.10 0.00 -1.02 0.00 0.00 32.46 26.39 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 -6.74 0.77 -0.27 5.56 1.70 -0.42 -4.92 118.95 114.63 2d8m s ARG 97 Ca 0.66 -1.31 -0.28 0.00 -0.47 0.00 0.00 55.73 54.33 2d8m s ARG 97 Cb -0.34 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.28 2d8m s ARG 97 CO 0.87 -0.19 0.99 0.50 -1.08 0.00 0.00 175.30 176.40 2d8m s ARG 98 N -3.98 4.15 0.07 3.89 3.52 -1.26 -4.54 118.95 120.81 2d8m s ARG 98 Ca 0.15 1.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.90 2d8m s ARG 98 Cb 0.08 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 2d8m s ARG 98 CO -0.05 -0.71 0.02 -0.51 -0.81 0.00 0.00 175.30 173.24 2d8m s LEU 99 N 3.27 3.55 -0.58 -0.88 1.43 -1.26 -5.05 118.68 119.15 2d8m s LEU 99 Ca 0.42 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 2d8m s LEU 99 Cb -0.14 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 2d8m s LEU 99 CO 0.10 0.20 1.84 -2.16 0.23 0.00 0.00 176.35 176.55 2d8m s PRO 100 N -2.17 2.73 0.00 1.29 0.04 -1.26 -4.82 135.00 130.81 2d8m s PRO 100 Ca 0.25 0.71 0.05 0.00 0.04 0.00 0.00 61.00 62.05 2d8m s PRO 100 Cb -0.12 -4.36 0.23 0.00 0.04 0.00 0.00 34.50 30.30 2d8m s PRO 100 CO 0.17 -2.60 1.16 -1.13 0.04 0.00 0.00 177.00 174.64 2d8m n SER 101 N 12.37 0.00 0.03 6.66 3.41 -1.26 -1.59 113.62 133.23 2d8m n SER 101 Ca 0.20 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 2d8m n SER 101 Cb 0.51 -0.48 0.38 0.00 -0.26 0.00 0.00 64.21 64.36 2d8m n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8m n GLN 102 N -1.48 0.04 0.04 4.33 1.13 -1.26 -2.16 117.38 118.02 2d8m n GLN 102 Ca 0.01 0.26 0.11 0.00 -1.94 0.00 0.00 57.00 55.44 2d8m n GLN 102 Cb 0.06 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 28.75 2d8m n GLN 102 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2d8m n ARG 103 N -1.66 0.56 0.00 -1.09 1.74 -0.62 -4.05 116.66 111.54 2d8m n ARG 103 Ca 0.04 -0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 2d8m n ARG 103 Cb 0.20 -1.64 0.08 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.33 0.00 -1.64 -1.55 4.01 -0.92 -4.98 117.16 109.75 2d8m n TYR 104 Ca -0.01 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.27 2d8m n TYR 104 Cb 0.53 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 2d8m n TYR 104 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2d8m n LEU 105 N 0.89 2.56 -0.08 7.72 4.77 -1.01 -3.04 117.00 128.81 2d8m n LEU 105 Ca 0.13 1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 57.16 2d8m n LEU 105 Cb 0.55 -1.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.20 2d8m n LEU 105 CO 0.19 -0.83 -1.01 0.23 -1.33 0.00 0.00 177.39 174.64 2d8m n MET 106 N 1.61 0.74 -1.99 3.23 2.81 -0.93 -4.84 117.12 117.76 2d8m n MET 106 Ca 0.11 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.65 2d8m n MET 106 Cb 0.30 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 2d8m n MET 106 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d8m s ALA 107 N -2.33 3.65 0.59 3.04 0.00 -1.26 -4.69 121.76 120.77 2d8m s ALA 107 Ca -0.19 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2d8m s ALA 107 Cb 0.05 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2d8m s ALA 107 CO 0.41 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2d8m n GLY 108 N 3.98 -4.37 3.57 0.00 0.00 -1.26 -4.53 105.19 102.57 2d8m n GLY 108 Ca 0.16 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 2d8m n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8m s PRO 109 N -4.75 2.54 0.62 1.61 0.04 -1.26 -4.77 135.00 129.03 2d8m s PRO 109 Ca 0.00 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.47 2d8m s PRO 109 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2d8m s PRO 109 CO 0.00 -3.57 0.00 0.41 0.04 0.00 0.00 177.00 173.88 2d8m n GLY 110 N 6.52 -3.68 3.54 0.56 0.00 -1.26 -4.64 105.19 106.24 2d8m n GLY 110 Ca 0.42 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2d8m n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 111 N -6.50 6.32 -0.07 1.61 0.01 -1.26 -4.82 113.70 108.99 2d8m s SER 111 Ca 0.00 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 56.88 2d8m s SER 111 Cb 0.00 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2d8m s SER 111 CO 0.00 -1.50 -0.20 -0.24 0.41 0.00 0.00 173.24 171.71 2d8m n SER 112 N 8.33 1.56 -0.12 2.44 2.88 -1.26 -4.61 113.62 122.84 2d8m n SER 112 Ca 0.04 0.25 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 2d8m n SER 112 Cb 0.48 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 2d8m n SER 112 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2d8m h SER 113 N -0.58 0.64 -3.71 -3.46 4.64 -1.97 -3.35 113.55 105.76 2d8m h SER 113 Ca -0.03 -0.33 -0.75 0.00 -0.47 0.00 0.00 61.79 60.20 2d8m h SER 113 Cb 0.64 -0.17 -0.31 0.00 -0.31 0.00 0.00 62.40 62.25 2d8m h SER 113 CO -0.02 0.82 0.03 -1.61 -0.87 0.00 0.00 176.83 175.19 2d8m s GLU 114 N -4.90 3.45 0.68 4.77 2.02 -1.26 -5.06 118.70 118.39 2d8m s GLU 114 Ca -0.13 -2.88 -0.13 0.00 0.02 0.00 0.00 54.97 51.85 2d8m s GLU 114 Cb 0.09 -4.19 0.01 0.00 0.10 0.00 0.00 34.13 30.14 2d8m s GLU 114 CO 0.79 -1.25 1.08 -1.21 0.02 0.00 0.00 175.26 174.69 2d8m s GLU 115 N -0.64 2.81 0.14 1.61 2.02 -1.26 -4.82 118.70 118.56 2d8m s GLU 115 Ca 0.23 1.19 -0.30 0.00 0.02 0.00 0.00 54.97 56.11 2d8m s GLU 115 Cb -0.11 -1.96 -0.17 0.00 0.10 0.00 0.00 34.13 31.98 2d8m s GLU 115 CO -0.08 -1.22 0.65 -0.40 0.02 0.00 0.00 175.26 174.23 2d8m n ASP 116 N -2.78 -0.87 -0.14 -0.19 5.75 -1.26 -4.85 116.55 112.20 2d8m n ASP 116 Ca 0.09 1.10 -0.11 0.00 -0.01 0.00 0.00 54.79 55.86 2d8m n ASP 116 Cb 0.53 -0.91 -0.01 0.00 -1.03 0.00 0.00 41.12 39.70 2d8m n ASP 116 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2d8m h GLU 117 N 1.50 0.76 -6.94 0.11 4.39 -2.05 -3.46 114.58 108.89 2d8m h GLU 117 Ca -0.33 -0.26 -0.59 0.00 0.34 0.00 0.00 59.36 58.52 2d8m h GLU 117 Cb 1.39 -0.06 -0.19 0.00 -0.10 0.00 0.00 28.75 29.78 2d8m h GLU 117 CO 0.57 0.85 -0.93 0.00 -1.16 0.00 0.00 179.01 178.34 2d8m n ALA 118 N -2.43 -1.87 -3.57 3.43 0.00 -1.26 -4.88 120.51 109.93 2d8m n ALA 118 Ca -0.01 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 2d8m n ALA 118 Cb 0.32 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 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 -4.18 5.79 0.40 0.00 0.01 -1.26 -4.92 113.70 109.53 2d8m s SER 119 Ca 0.15 -2.57 0.31 0.00 1.31 0.00 0.00 55.95 55.15 2d8m s SER 119 Cb -0.08 -1.99 1.33 0.00 0.21 0.00 0.00 66.02 65.48 2d8m s SER 119 CO 0.97 -0.51 1.35 0.00 0.41 0.00 0.00 173.24 175.47 2d8m n HIS 120 N 3.99 0.52 -3.29 2.43 1.44 -1.26 -3.75 115.22 115.30 2d8m n HIS 120 Ca 0.06 0.52 -0.40 0.00 -2.01 0.00 0.00 57.72 55.89 2d8m n HIS 120 Cb 0.41 -0.94 -0.08 0.00 0.12 0.00 0.00 29.99 29.50 2d8m n HIS 120 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2d8m s SER 121 N -4.24 6.37 0.00 4.39 1.04 -1.26 -4.95 113.70 115.05 2d8m s SER 121 Ca -0.06 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2d8m s SER 121 Cb 0.26 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2d8m s SER 121 CO 0.72 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.29 2d8m n GLY 122 N 4.51 1.07 2.74 7.32 0.00 -1.25 -5.05 105.19 114.54 2d8m n GLY 122 Ca -0.06 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 5.49 3.79 -0.02 0.00 -1.26 -5.06 105.19 108.13 2d8m n GLY 123 Ca 0.00 -2.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.00 2d8m n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 124 N -3.42 5.81 0.00 1.61 0.01 -1.26 -5.02 113.70 111.43 2d8m s SER 124 Ca 0.47 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2d8m s SER 124 Cb 0.33 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.81 2d8m s SER 124 CO -0.15 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2d8m n GLY 125 N 1.74 2.98 0.07 3.44 0.00 -1.26 -4.83 105.19 107.33 2d8m n GLY 125 Ca -0.17 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.25 2d8m n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 126 N 0.25 0.10 -4.15 1.61 -0.04 -1.26 -4.89 135.00 126.62 2d8m n PRO 126 Ca 0.00 0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 2d8m n PRO 126 Cb 0.00 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.71 2d8m n PRO 126 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8m n SER 127 N -1.90 -0.76 -4.78 3.54 7.64 -1.26 -4.95 113.62 111.16 2d8m n SER 127 Ca 0.03 -1.09 -0.28 0.00 1.01 0.00 0.00 58.87 58.53 2d8m n SER 127 Cb 0.20 -2.51 -0.06 0.00 -1.01 0.00 0.00 64.21 60.83 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 -4.06 4.33 0.00 6.43 0.01 -1.26 -5.29 113.70 113.87 2d8m s SER 128 Ca 0.23 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2d8m s SER 128 Cb -0.13 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2d8m s SER 128 CO 0.94 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 174.40