#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 -0.15 0.08 1.61 0.15 -1.26 -5.16 113.70 108.97 2d8m s SER 2 Ca 0.00 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.31 2d8m s SER 2 Cb 0.00 1.33 -0.02 0.00 -1.71 0.00 0.00 66.02 65.62 2d8m s SER 2 CO 0.00 -0.26 0.10 -0.55 1.20 0.00 0.00 173.24 173.73 2d8m s SER 3 N 2.61 0.27 0.14 5.45 0.15 -1.26 -5.18 113.70 115.88 2d8m s SER 3 Ca 0.05 -0.82 0.02 0.00 0.70 0.00 0.00 55.95 55.90 2d8m s SER 3 Cb -0.13 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2d8m s SER 3 CO -0.14 -0.68 0.13 0.61 1.20 0.00 0.00 173.24 174.35 2d8m n GLY 4 N -0.00 3.41 3.74 9.45 0.00 -1.26 -5.18 105.19 115.34 2d8m n GLY 4 Ca -0.14 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.94 4.16 -0.19 1.61 0.01 -1.26 -5.15 113.70 110.94 2d8m s SER 5 Ca 0.15 -1.45 -0.08 0.00 1.31 0.00 0.00 55.95 55.89 2d8m s SER 5 Cb 0.01 0.12 0.08 0.00 0.21 0.00 0.00 66.02 66.43 2d8m s SER 5 CO 0.11 -0.73 0.43 -0.55 0.41 0.00 0.00 173.24 172.91 2d8m s SER 6 N -3.88 -0.35 -0.83 2.44 0.15 -1.26 -5.05 113.70 104.91 2d8m s SER 6 Ca 0.22 0.99 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 2d8m s SER 6 Cb 0.04 1.22 0.30 0.00 -1.71 0.00 0.00 66.02 65.87 2d8m s SER 6 CO 0.12 -0.22 2.11 0.61 1.20 0.00 0.00 173.24 177.06 2d8m n GLY 7 N 5.08 5.44 2.21 9.45 0.00 -1.26 -4.98 105.19 121.14 2d8m n GLY 7 Ca -0.13 -2.41 -0.21 0.00 0.00 0.00 0.00 46.02 43.28 2d8m n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d8m n GLU 8 N -0.24 0.00 -2.05 1.61 1.02 -1.26 -4.71 120.64 115.01 2d8m n GLU 8 Ca 0.53 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.37 2d8m n GLU 8 Cb 0.28 -0.82 -0.05 0.00 -0.02 0.00 0.00 31.44 30.83 2d8m n GLU 8 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2d8m s PRO 9 N 5.19 2.58 0.51 3.49 0.04 -1.26 -4.94 135.00 140.60 2d8m s PRO 9 Ca 0.85 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.63 2d8m s PRO 9 Cb -0.69 -4.90 -0.13 0.00 0.04 0.00 0.00 34.50 28.81 2d8m s PRO 9 CO 0.33 -3.21 0.06 0.54 0.04 0.00 0.00 177.00 174.75 2d8m n ARG 10 N 8.94 0.14 -3.86 4.56 3.00 -1.26 -4.95 116.66 123.22 2d8m n ARG 10 Ca 0.35 0.05 -0.35 0.00 -0.01 0.00 0.00 57.85 57.90 2d8m n ARG 10 Cb 0.48 -1.18 -0.05 0.00 0.00 0.00 0.00 32.46 31.71 2d8m n ARG 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2d8m s ARG 11 N -1.28 3.47 0.31 5.56 0.52 -1.26 -5.01 118.95 121.26 2d8m s ARG 11 Ca 0.60 -0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.70 2d8m s ARG 11 Cb -0.49 -3.12 0.49 0.00 0.52 0.00 0.00 34.95 32.34 2d8m s ARG 11 CO 0.63 0.70 1.70 -1.00 0.02 0.00 0.00 175.30 177.35 2d8m h PRO 12 N 4.21 0.09 -7.27 3.54 0.13 -2.06 -3.45 132.00 127.18 2d8m h PRO 12 Ca -0.51 -0.05 -0.51 0.00 -0.87 0.00 0.00 66.00 64.06 2d8m h PRO 12 Cb 1.20 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.45 2d8m h PRO 12 CO 0.65 0.55 0.34 0.50 -0.23 0.00 0.00 178.00 179.82 2d8m s ARG 13 N -3.96 2.54 0.34 0.86 6.06 -1.26 -4.94 118.95 118.60 2d8m s ARG 13 Ca -0.03 1.22 -0.25 0.00 -2.50 0.00 0.00 55.73 54.17 2d8m s ARG 13 Cb 0.13 -1.93 -0.14 0.00 0.06 0.00 0.00 34.95 33.08 2d8m s ARG 13 CO 0.76 -1.43 0.68 0.00 -2.50 0.00 0.00 175.30 172.81 2d8m n ALA 14 N -3.06 -1.39 -0.91 6.12 0.00 -1.26 -4.87 120.51 115.13 2d8m n ALA 14 Ca 0.09 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 2d8m n ALA 14 Cb 0.53 -1.81 0.12 0.00 0.00 0.00 0.00 19.45 18.28 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 1.66 -1.54 0.00 0.00 0.00 -1.26 -4.84 105.19 99.21 2d8m n GLY 15 Ca 0.12 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.92 0.30 -0.06 1.61 -0.04 -1.26 -2.94 135.00 130.69 2d8m n PRO 16 Ca 0.09 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.50 2d8m n PRO 16 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.68 -0.19 0.54 4.11 -1.90 -0.52 114.58 117.30 2d8m h GLU 17 Ca 0.00 -0.44 0.05 0.00 0.07 0.00 0.00 59.36 59.04 2d8m h GLU 17 Cb 0.09 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 2d8m h GLU 17 CO 0.00 1.06 -0.42 0.93 0.07 0.00 0.00 179.01 180.65 2d8m h GLU 18 N 0.39 -0.43 -0.18 1.06 3.07 -1.89 -1.49 114.58 115.11 2d8m h GLU 18 Ca 0.01 0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 2d8m h GLU 18 Cb 1.04 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2d8m h GLU 18 CO 0.10 -0.29 -0.60 -0.07 -1.40 0.00 0.00 179.01 176.74 2d8m h LEU 19 N -0.45 0.67 0.00 1.33 4.07 -1.76 -2.92 115.31 116.26 2d8m h LEU 19 Ca 0.09 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2d8m h LEU 19 Cb 0.61 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2d8m h LEU 19 CO -0.43 1.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.65 2d8m n GLY 20 N 0.37 -0.45 1.01 0.83 0.00 0.15 -0.06 105.19 107.04 2d8m n GLY 20 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.45 2.32 -0.08 1.61 4.76 -0.63 -3.87 118.16 120.83 2d8m n LYS 21 Ca 0.00 -2.13 -0.08 0.00 -2.87 0.00 0.00 58.31 53.24 2d8m n LYS 21 Cb 0.00 -1.45 -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 0.82 -1.37 0.00 0.00 177.40 176.85 2d8m h ILE 22 N 3.98 0.20 -0.99 -0.18 2.04 -0.51 -3.40 117.51 118.64 2d8m h ILE 22 Ca 0.00 -1.24 -0.62 0.00 1.00 0.00 0.00 64.86 64.00 2d8m h ILE 22 Cb 0.90 0.46 -0.36 0.00 -0.74 0.00 0.00 36.82 37.09 2d8m h ILE 22 CO 0.00 0.07 -0.02 0.18 0.00 0.00 0.00 178.15 178.38 2d8m n LEU 23 N -4.60 6.18 -4.72 1.44 4.77 0.15 -4.76 117.00 115.47 2d8m n LEU 23 Ca -0.11 -4.61 -0.42 0.00 -0.03 0.00 0.00 56.01 50.84 2d8m n LEU 23 Cb 0.32 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2d8m n LEU 23 CO 0.12 1.84 1.23 -1.58 -1.33 0.00 0.00 177.39 177.68 2d8m s GLN 24 N -3.72 4.21 -0.41 3.23 2.00 -1.22 -2.19 119.66 121.56 2d8m s GLN 24 Ca 0.56 2.36 0.00 0.00 -2.00 0.00 0.00 55.36 56.28 2d8m s GLN 24 Cb 0.45 -3.18 0.00 0.00 0.80 0.00 0.00 33.01 31.08 2d8m s GLN 24 CO -0.03 -0.61 0.00 0.41 -0.50 0.00 0.00 175.29 174.56 2d8m n GLY 25 N 3.77 0.43 3.48 2.59 0.00 -1.26 -5.04 105.19 109.16 2d8m n GLY 25 Ca 0.14 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.19 2.71 0.00 1.61 1.01 -0.93 -5.06 120.40 117.55 2d8m s VAL 26 Ca 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 61.98 60.22 2d8m s VAL 26 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2d8m s VAL 26 CO 0.00 -0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 174.16 2d8m s VAL 27 N -1.58 1.37 0.00 2.92 1.01 -1.26 -0.77 120.40 122.09 2d8m s VAL 27 Ca 0.21 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2d8m s VAL 27 Cb -0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2d8m s VAL 27 CO 0.12 0.32 -0.08 0.68 0.00 0.00 0.00 175.10 176.13 2d8m s VAL 28 N -0.50 0.66 -0.15 2.92 -7.23 0.07 -2.08 120.40 114.09 2d8m s VAL 28 Ca 0.06 -0.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.78 2d8m s VAL 28 Cb -0.07 -0.58 -0.00 0.00 0.56 0.00 0.00 36.38 36.29 2d8m s VAL 28 CO -0.00 0.12 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.05 2d8m s VAL 29 N -0.34 2.62 -0.00 1.32 1.01 -1.13 -2.72 120.40 121.14 2d8m s VAL 29 Ca 0.02 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2d8m s VAL 29 Cb -0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2d8m s VAL 29 CO -0.00 0.52 0.76 -0.76 0.00 0.00 0.00 175.10 175.62 2d8m s LEU 30 N 0.74 4.39 -0.16 3.92 1.43 -1.25 -0.66 118.68 127.09 2d8m s LEU 30 Ca -0.07 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 2d8m s LEU 30 Cb -0.16 -3.21 0.05 0.00 0.03 0.00 0.00 46.19 42.90 2d8m s LEU 30 CO 0.01 -0.07 0.41 -0.44 0.23 0.00 0.00 176.35 176.49 2d8m s SER 31 N 0.41 -0.48 -0.82 2.29 0.01 -1.12 -4.88 113.70 109.10 2d8m s SER 31 Ca 0.40 0.87 -0.01 0.00 1.31 0.00 0.00 55.95 58.51 2d8m s SER 31 Cb -0.19 0.80 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2d8m s SER 31 CO 0.22 -0.17 0.69 0.61 0.41 0.00 0.00 173.24 174.99 2d8m n GLY 32 N 3.72 -0.09 3.28 3.44 0.00 -1.26 -3.62 105.19 110.66 2d8m n GLY 32 Ca -0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.24 1.57 -0.00 1.61 0.08 -1.26 -4.47 117.98 112.28 2d8m s PHE 33 Ca 0.06 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.59 2d8m s PHE 33 Cb -0.03 -0.80 -0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2d8m s PHE 33 CO 0.49 0.22 -0.04 -0.65 -0.10 0.00 0.00 175.22 175.15 2d8m s GLN 34 N -2.81 0.30 0.86 0.44 -1.52 -1.26 -4.86 119.66 110.81 2d8m s GLN 34 Ca 0.13 -0.16 -0.10 0.00 -1.95 0.00 0.00 55.36 53.27 2d8m s GLN 34 Cb -0.05 -0.28 0.11 0.00 -0.22 0.00 0.00 33.01 32.58 2d8m s GLN 34 CO 0.04 0.07 1.11 -0.80 -0.25 0.00 0.00 175.29 175.47 2d8m s ASN 35 N -0.16 3.55 0.34 5.90 0.01 -1.26 -1.35 114.94 121.97 2d8m s ASN 35 Ca 0.01 1.93 0.13 0.00 -0.71 0.00 0.00 52.86 54.23 2d8m s ASN 35 Cb -0.02 -2.50 0.62 0.00 0.41 0.00 0.00 41.25 39.76 2d8m s ASN 35 CO -0.00 -2.66 1.75 1.55 -1.51 0.00 0.00 177.10 176.23 2d8m h PRO 36 N -1.56 0.00 -0.77 -0.60 0.13 -2.03 -3.43 132.00 123.74 2d8m h PRO 36 Ca -0.45 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 2d8m h PRO 36 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2d8m h PRO 36 CO 0.47 0.45 -0.26 0.34 -0.23 0.00 0.00 178.00 178.77 2d8m n PHE 37 N -3.89 0.11 -0.28 1.56 7.35 -1.13 0.51 117.46 121.69 2d8m n PHE 37 Ca -0.01 0.94 0.03 0.00 -0.76 0.00 0.00 57.45 57.65 2d8m n PHE 37 Cb 0.49 -0.84 0.09 0.00 0.35 0.00 0.00 39.48 39.56 2d8m n PHE 37 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2d8m n ARG 38 N -5.17 -0.09 0.19 -4.13 3.00 -0.46 -0.17 116.66 109.82 2d8m n ARG 38 Ca 0.09 1.20 -0.13 0.00 -0.00 0.00 0.00 57.85 59.01 2d8m n ARG 38 Cb 0.34 -1.79 -0.08 0.00 0.00 0.00 0.00 32.46 30.93 2d8m n ARG 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2d8m h SER 39 N 0.00 -0.42 -0.93 6.15 0.87 -0.25 -3.15 113.55 115.82 2d8m h SER 39 Ca 0.35 -0.14 0.27 0.00 -1.23 0.00 0.00 61.79 61.04 2d8m h SER 39 Cb 0.54 0.11 -0.16 0.00 -0.44 0.00 0.00 62.40 62.45 2d8m h SER 39 CO -0.79 -0.04 0.23 -0.08 -0.53 0.00 0.00 176.83 175.62 2d8m h GLU 40 N -0.85 0.13 -0.01 2.24 4.81 -0.33 0.15 114.58 120.71 2d8m h GLU 40 Ca -0.05 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2d8m h GLU 40 Cb 0.54 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2d8m h GLU 40 CO 0.08 0.09 -0.26 1.25 -0.73 0.00 0.00 179.01 179.44 2d8m h LEU 41 N 0.14 -0.79 0.85 1.64 7.12 -0.79 -1.12 115.31 122.37 2d8m h LEU 41 Ca 0.61 0.11 -0.04 0.00 0.13 0.00 0.00 57.88 58.69 2d8m h LEU 41 Cb 1.31 0.32 0.01 0.00 -0.53 0.00 0.00 40.66 41.77 2d8m h LEU 41 CO -0.74 -0.33 -0.41 -0.09 -0.13 0.00 0.00 178.44 176.74 2d8m h ARG 42 N -0.40 -1.11 -0.93 1.25 2.43 -0.75 0.24 114.38 115.12 2d8m h ARG 42 Ca 0.07 0.08 0.17 0.00 -0.81 0.00 0.00 59.98 59.48 2d8m h ARG 42 Cb 0.49 0.25 -0.17 0.00 -0.42 0.00 0.00 29.97 30.12 2d8m h ARG 42 CO -0.24 -0.73 -0.28 -0.44 -1.51 0.00 0.00 179.97 176.76 2d8m h ASP 43 N -1.17 -1.04 -0.60 -3.80 5.19 -1.02 0.66 116.42 114.64 2d8m h ASP 43 Ca -0.12 0.29 -0.10 0.00 -0.62 0.00 0.00 57.03 56.48 2d8m h ASP 43 Cb 0.88 0.63 -0.02 0.00 0.18 0.00 0.00 39.33 41.00 2d8m h ASP 43 CO 0.19 -0.30 -0.00 0.11 -3.12 0.00 0.00 179.24 176.12 2d8m h LYS 44 N -0.01 1.07 -0.27 3.56 1.57 -1.08 -2.63 116.57 118.77 2d8m h LYS 44 Ca 0.41 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2d8m h LYS 44 Cb 0.65 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2d8m h LYS 44 CO -0.95 1.04 0.02 0.00 -0.57 0.00 0.00 179.45 178.99 2d8m h ALA 45 N 1.01 1.53 -0.04 3.86 0.00 0.22 -2.88 119.26 122.97 2d8m h ALA 45 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2d8m h ALA 45 Cb 0.56 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2d8m h ALA 45 CO 0.03 0.34 -0.02 -0.07 0.00 0.00 0.00 179.25 179.54 2d8m h LEU 46 N 0.39 0.08 -0.52 0.00 3.38 0.08 -1.45 115.31 117.27 2d8m h LEU 46 Ca 0.09 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 57.74 2d8m h LEU 46 Cb 0.23 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 2d8m h LEU 46 CO 0.00 0.49 -0.12 -0.33 0.09 0.00 0.00 178.44 178.57 2d8m h GLU 47 N -0.33 0.01 0.00 1.13 4.39 -1.27 0.61 114.58 119.12 2d8m h GLU 47 Ca 0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2d8m h GLU 47 Cb 0.46 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2d8m h GLU 47 CO 0.01 0.01 0.11 -0.07 -1.16 0.00 0.00 179.01 177.90 2d8m h LEU 48 N 0.01 0.00 0.00 1.33 3.38 -1.53 0.42 115.31 118.92 2d8m h LEU 48 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2d8m h LEU 48 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2d8m h LEU 48 CO -0.53 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.61 2d8m n GLY 49 N -1.18 0.95 3.81 0.83 0.00 0.21 0.32 105.19 110.14 2d8m n GLY 49 Ca -0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 3.55 -0.08 4.61 0.00 -0.55 -4.08 121.76 123.20 2d8m s ALA 50 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 2d8m s ALA 50 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2d8m s ALA 50 CO 0.00 0.39 0.76 0.15 0.00 0.00 0.00 175.76 177.07 2d8m s LYS 51 N -1.42 4.42 -0.18 0.00 3.01 0.05 -4.07 119.74 121.55 2d8m s LYS 51 Ca 0.33 0.97 -0.14 0.00 -1.01 0.00 0.00 55.97 56.13 2d8m s LYS 51 Cb -0.18 -3.48 -0.04 0.00 -1.01 0.00 0.00 37.83 33.11 2d8m s LYS 51 CO 0.20 -0.05 0.32 -0.47 0.51 0.00 0.00 175.35 175.86 2d8m s TYR 52 N 1.15 3.42 0.04 3.18 5.04 -1.26 -0.75 117.35 128.17 2d8m s TYR 52 Ca 0.39 0.57 0.08 0.00 -2.44 0.00 0.00 57.07 55.67 2d8m s TYR 52 Cb -0.18 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.71 2d8m s TYR 52 CO 0.18 0.13 -0.22 1.03 -1.34 0.00 0.00 175.55 175.34 2d8m s ARG 53 N 0.82 1.48 0.46 4.97 1.81 -1.10 -5.02 118.95 122.37 2d8m s ARG 53 Ca 0.17 -0.97 0.24 0.00 -1.72 0.00 0.00 55.73 53.45 2d8m s ARG 53 Cb -0.14 -1.60 1.04 0.00 -0.45 0.00 0.00 34.95 33.80 2d8m s ARG 53 CO 0.05 0.41 1.88 -1.00 -0.68 0.00 0.00 175.30 175.97 2d8m h PRO 54 N 4.87 0.00 -3.99 3.54 0.13 -1.92 -3.32 132.00 131.31 2d8m h PRO 54 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 2d8m h PRO 54 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2d8m h PRO 54 CO 0.44 0.21 -0.29 0.16 -0.23 0.00 0.00 178.00 178.29 2d8m s ASP 55 N -6.20 0.06 0.36 1.44 1.47 -1.26 -4.88 116.67 107.66 2d8m s ASP 55 Ca -0.00 -1.12 -0.28 0.00 1.18 0.00 0.00 52.55 52.32 2d8m s ASP 55 Cb 0.11 0.52 -0.11 0.00 -0.34 0.00 0.00 42.92 43.10 2d8m s ASP 55 CO 0.63 -1.05 1.49 1.87 0.68 0.00 0.00 175.17 178.78 2d8m n TRP 56 N -0.36 2.89 -4.17 2.11 -0.00 -1.26 -4.97 117.44 111.68 2d8m n TRP 56 Ca -0.00 0.42 -0.13 0.00 -0.00 0.00 0.00 57.50 57.79 2d8m n TRP 56 Cb 0.63 -2.53 -0.11 0.00 -0.00 0.00 0.00 31.31 29.31 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 -0.91 0.86 0.54 5.87 -4.23 -1.26 -5.01 115.64 111.49 2d8m s THR 57 Ca 0.55 -1.71 0.22 0.00 -1.18 0.00 0.00 61.69 59.57 2d8m s THR 57 Cb -0.49 -1.43 0.33 0.00 1.34 0.00 0.00 72.50 72.25 2d8m s THR 57 CO 0.61 -0.65 2.10 -0.09 -0.54 0.00 0.00 174.62 176.05 2d8m h ARG 58 N 3.40 0.00 0.00 3.99 1.12 -2.07 0.25 114.38 121.08 2d8m h ARG 58 Ca -0.37 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 2d8m h ARG 58 Cb 1.18 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 2d8m h ARG 58 CO 0.56 0.00 -0.27 -0.25 -3.11 0.00 0.00 179.97 176.90 2d8m n ASP 59 N -4.33 0.38 -4.68 -3.80 9.92 -1.26 -4.87 116.55 107.90 2d8m n ASP 59 Ca 0.02 0.19 -0.46 0.00 -0.53 0.00 0.00 54.79 54.01 2d8m n ASP 59 Cb 0.29 -0.18 -0.04 0.00 -0.64 0.00 0.00 41.12 40.55 2d8m n ASP 59 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2d8m n SER 60 N -1.68 3.62 -0.09 -2.24 7.64 0.88 -4.70 113.62 117.04 2d8m n SER 60 Ca 0.06 0.99 -0.14 0.00 1.01 0.00 0.00 58.87 60.79 2d8m n SER 60 Cb 0.36 -1.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.04 2d8m n SER 60 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2d8m n THR 61 N 4.77 1.05 -4.24 0.44 -2.24 -1.25 -4.90 114.28 107.91 2d8m n THR 61 Ca 0.20 -0.38 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 2d8m n THR 61 Cb 0.33 -1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 67.21 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 -2.36 1.48 -0.10 4.78 3.76 -0.89 -2.38 115.29 119.58 2d8m s HIS 62 Ca -0.25 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.21 2d8m s HIS 62 Cb 0.07 -0.79 0.01 0.00 1.11 0.00 0.00 32.58 32.97 2d8m s HIS 62 CO 0.41 0.15 -0.20 -1.17 -0.85 0.00 0.00 174.74 173.07 2d8m s LEU 63 N -2.11 1.97 -0.69 0.89 2.96 -0.54 -2.86 118.68 118.30 2d8m s LEU 63 Ca 0.05 -0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 2d8m s LEU 63 Cb -0.08 -1.28 0.10 0.00 0.50 0.00 0.00 46.19 45.43 2d8m s LEU 63 CO 0.03 0.10 0.90 -0.63 -1.32 0.00 0.00 176.35 175.44 2d8m s ILE 64 N 0.58 4.59 -0.04 6.68 -1.09 0.17 -2.44 121.20 129.64 2d8m s ILE 64 Ca -0.14 -0.84 -0.04 0.00 -2.23 0.00 0.00 60.65 57.41 2d8m s ILE 64 Cb -0.17 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 2d8m s ILE 64 CO 0.05 -1.35 0.16 0.00 -1.23 0.00 0.00 174.94 172.57 2d8m n ALA 66 N 1.23 1.45 -3.50 0.00 0.00 -1.24 -3.22 120.51 115.23 2d8m n ALA 66 Ca -0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2d8m n ALA 66 Cb 0.53 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.59 -0.45 0.64 0.00 -0.12 -1.26 -4.94 117.98 109.25 2d8m s PHE 67 Ca -0.07 0.49 -0.11 0.00 -0.05 0.00 0.00 56.93 57.20 2d8m s PHE 67 Cb 0.08 0.50 0.15 0.00 -0.63 0.00 0.00 43.02 43.12 2d8m s PHE 67 CO 0.82 -0.59 0.65 0.00 -0.05 0.00 0.00 175.22 176.06 2d8m n ALA 68 N 0.13 -1.55 -2.64 1.99 0.00 -1.26 -4.27 120.51 112.90 2d8m n ALA 68 Ca -0.13 -0.93 -0.20 0.00 0.00 0.00 0.00 53.44 52.18 2d8m n ALA 68 Cb 0.61 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.85 -5.73 -4.71 0.00 3.02 -1.26 -4.99 115.26 97.74 2d8m n ASN 69 Ca 0.09 -0.13 -0.25 0.00 -0.03 0.00 0.00 54.58 54.26 2d8m n ASN 69 Cb 0.33 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 34.76 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 -3.05 3.89 0.12 3.41 -4.23 -1.26 -5.02 115.64 109.50 2d8m s THR 70 Ca 0.13 -1.51 0.34 0.00 -1.18 0.00 0.00 61.69 59.47 2d8m s THR 70 Cb -0.06 -3.02 0.39 0.00 1.34 0.00 0.00 72.50 71.16 2d8m s THR 70 CO 0.16 -0.23 2.00 1.55 -0.54 0.00 0.00 174.62 177.56 2d8m h PRO 71 N 2.22 0.00 -0.00 3.99 0.13 -1.95 -2.49 132.00 133.89 2d8m h PRO 71 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2d8m h PRO 71 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2d8m h PRO 71 CO 0.60 0.00 -0.75 1.17 -0.23 0.00 0.00 178.00 178.79 2d8m n LYS 72 N -3.08 0.16 0.02 0.86 3.00 -1.26 -3.47 118.16 114.39 2d8m n LYS 72 Ca 0.00 -0.12 -0.18 0.00 -0.00 0.00 0.00 58.31 58.01 2d8m n LYS 72 Cb 0.29 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.69 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 0.30 0.43 0.09 5.64 3.20 -1.81 -3.17 116.97 121.66 2d8m h TYR 73 Ca 0.00 -0.30 -0.26 0.00 3.14 0.00 0.00 58.73 61.30 2d8m h TYR 73 Cb 0.52 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.78 2d8m h TYR 73 CO 0.00 1.22 -1.15 1.03 -1.64 0.00 0.00 178.16 177.61 2d8m h SER 74 N -0.47 0.55 -0.10 -2.11 0.87 -1.73 -2.39 113.55 108.16 2d8m h SER 74 Ca -0.10 -0.52 0.04 0.00 -1.23 0.00 0.00 61.79 59.97 2d8m h SER 74 Cb 1.46 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.20 2d8m h SER 74 CO 0.12 1.37 -0.13 -0.61 -0.53 0.00 0.00 176.83 177.04 2d8m h GLN 75 N 0.16 -0.16 0.00 2.24 5.75 -1.70 -1.32 115.11 120.09 2d8m h GLN 75 Ca -0.13 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2d8m h GLN 75 Cb 1.84 0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.43 2d8m h GLN 75 CO 0.20 -0.10 0.00 0.28 -2.65 0.00 0.00 178.83 176.55 2d8m n VAL 76 N -5.27 0.64 -0.09 2.39 0.31 -1.20 -3.24 118.33 111.88 2d8m n VAL 76 Ca -0.04 -0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 2d8m n VAL 76 Cb 0.19 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.61 -0.20 7.52 5.85 -0.72 -2.46 115.31 125.92 2d8m h LEU 77 Ca 0.00 -0.44 -0.22 0.00 0.84 0.00 0.00 57.88 58.06 2d8m h LEU 77 Cb 0.71 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.57 2d8m h LEU 77 CO 0.00 0.92 -0.89 1.23 -0.34 0.00 0.00 178.44 179.36 2d8m h GLY 78 N 0.30 0.57 0.50 3.75 0.00 -1.43 -3.25 103.07 103.52 2d8m h GLY 78 Ca 0.05 -0.92 0.10 0.00 0.00 0.00 0.00 47.33 46.56 2d8m h GLY 78 CO 0.05 0.82 0.51 1.41 0.00 0.00 0.00 176.54 179.32 2d8m h LEU 79 N 0.32 0.73 0.00 3.11 3.38 -1.57 -3.46 115.31 117.81 2d8m h LEU 79 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2d8m h LEU 79 Cb 1.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2d8m h LEU 79 CO 0.16 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2d8m n GLY 80 N -1.33 1.83 3.92 0.83 0.00 -1.14 -5.12 105.19 104.18 2d8m n GLY 80 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 1.64 -0.68 -0.02 0.00 -0.94 -4.99 107.32 100.33 2d8m s GLY 81 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 44.72 43.75 2d8m s GLY 81 CO 0.00 -0.42 0.88 -1.60 0.00 0.00 0.00 173.10 171.96 2d8m s ARG 82 N -5.15 3.17 -0.35 2.90 3.52 -1.00 -4.81 118.95 117.23 2d8m s ARG 82 Ca 0.57 -1.22 -0.25 0.00 -0.13 0.00 0.00 55.73 54.70 2d8m s ARG 82 Cb -0.11 -4.35 0.01 0.00 -1.56 0.00 0.00 34.95 28.94 2d8m s ARG 82 CO 0.46 -1.69 0.88 0.42 -0.81 0.00 0.00 175.30 174.56 2d8m s ILE 83 N 3.19 4.65 0.11 4.11 1.01 -1.26 -1.47 121.20 131.54 2d8m s ILE 83 Ca 0.19 1.16 0.02 0.00 0.00 0.00 0.00 60.65 62.03 2d8m s ILE 83 Cb -0.18 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2d8m s ILE 83 CO 0.05 -0.45 -0.07 0.68 0.00 0.00 0.00 174.94 175.15 2d8m s VAL 84 N 3.30 0.82 0.77 2.92 -7.23 -1.02 -1.37 120.40 118.58 2d8m s VAL 84 Ca 0.36 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.44 2d8m s VAL 84 Cb -0.13 -1.74 0.05 0.00 0.56 0.00 0.00 36.38 35.12 2d8m s VAL 84 CO 0.17 -0.83 1.13 -0.13 -0.31 0.00 0.00 175.10 175.13 2d8m s ARG 85 N -3.81 2.30 0.37 4.82 0.52 -1.20 -2.38 118.95 119.57 2d8m s ARG 85 Ca 0.14 0.34 0.09 0.00 -0.52 0.00 0.00 55.73 55.78 2d8m s ARG 85 Cb 0.05 -1.97 0.74 0.00 0.52 0.00 0.00 34.95 34.28 2d8m s ARG 85 CO -0.03 -1.40 1.88 1.57 0.02 0.00 0.00 175.30 177.34 2d8m h LYS 86 N -0.92 0.23 -1.70 3.54 2.10 -1.90 -2.84 116.57 115.06 2d8m h LYS 86 Ca -0.46 -0.06 0.49 0.00 -2.00 0.00 0.00 60.65 58.62 2d8m h LYS 86 Cb 1.29 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 32.52 2d8m h LYS 86 CO 0.64 0.41 1.32 1.49 -2.00 0.00 0.00 179.45 181.31 2d8m h GLU 87 N 0.21 0.00 -0.07 0.07 4.57 -1.93 0.75 114.58 118.19 2d8m h GLU 87 Ca 0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2d8m h GLU 87 Cb 0.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2d8m h GLU 87 CO 0.03 0.00 0.03 2.35 -1.18 0.00 0.00 179.01 180.24 2d8m h TRP 88 N 0.00 0.10 -0.04 0.92 7.01 -1.88 -2.06 115.95 119.99 2d8m h TRP 88 Ca 0.81 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.79 2d8m h TRP 88 Cb 3.45 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 30.48 2d8m h TRP 88 CO 0.00 0.20 -0.05 0.28 -2.79 0.00 0.00 178.44 176.09 2d8m h VAL 89 N -0.03 1.39 -0.28 2.65 2.07 0.28 -1.61 116.25 120.72 2d8m h VAL 89 Ca 0.02 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.35 2d8m h VAL 89 Cb 0.14 2.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 2d8m h VAL 89 CO -0.00 0.33 -0.52 -0.07 0.02 0.00 0.00 177.57 177.33 2d8m h LEU 90 N -0.37 -1.71 -0.33 2.57 3.38 -1.38 0.20 115.31 117.67 2d8m h LEU 90 Ca 0.01 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2d8m h LEU 90 Cb 0.56 0.69 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2d8m h LEU 90 CO 0.01 -0.43 0.20 0.44 0.09 0.00 0.00 178.44 178.74 2d8m h ASP 91 N -0.47 0.40 -0.94 -0.43 3.32 -1.46 0.21 116.42 117.06 2d8m h ASP 91 Ca 0.07 -0.06 0.18 0.00 0.02 0.00 0.00 57.03 57.24 2d8m h ASP 91 Cb 0.63 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 2d8m h ASP 91 CO -0.52 0.34 0.60 0.00 -1.72 0.00 0.00 179.24 177.95 2d8m h HIS 93 N 0.61 0.00 -1.05 0.00 -0.00 -0.11 0.63 115.15 115.23 2d8m h HIS 93 Ca 0.50 0.00 0.33 0.00 -0.00 0.00 0.00 60.37 61.20 2d8m h HIS 93 Cb 0.95 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.22 2d8m h HIS 93 CO -0.00 0.24 0.62 -0.09 -0.00 0.00 0.00 177.93 178.69 2d8m h ARG 94 N -1.00 0.29 0.00 5.26 9.65 -0.25 0.57 114.38 128.91 2d8m h ARG 94 Ca -0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2d8m h ARG 94 Cb 0.25 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2d8m h ARG 94 CO -0.00 0.19 -0.95 -1.33 2.80 0.00 0.00 179.97 180.68 2d8m n MET 95 N -4.97 0.70 -4.10 0.20 2.81 0.79 -4.98 117.12 107.56 2d8m n MET 95 Ca 0.32 -0.01 -0.32 0.00 -1.81 0.00 0.00 57.70 55.88 2d8m n MET 95 Cb 1.04 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 32.13 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 -1.49 -3.61 -4.05 0.03 1.74 0.21 -4.95 116.66 104.55 2d8m n ARG 96 Ca 0.03 0.42 -0.09 0.00 -0.77 0.00 0.00 57.85 57.45 2d8m n ARG 96 Cb 0.31 -5.01 -0.11 0.00 -1.02 0.00 0.00 32.46 26.63 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 -6.77 0.49 -0.07 5.56 1.70 -0.61 -4.85 118.95 114.39 2d8m s ARG 97 Ca 0.52 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 2d8m s ARG 97 Cb -0.28 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 2d8m s ARG 97 CO 0.90 -0.06 1.52 0.50 -1.08 0.00 0.00 175.30 177.07 2d8m s ARG 98 N -2.65 4.21 0.00 3.89 3.52 -1.26 -4.52 118.95 122.14 2d8m s ARG 98 Ca -0.04 2.03 0.04 0.00 -0.13 0.00 0.00 55.73 57.63 2d8m s ARG 98 Cb -0.01 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 2d8m s ARG 98 CO -0.05 -0.76 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.08 2d8m s LEU 99 N 3.58 3.09 -0.37 -0.88 1.43 -1.26 -5.07 118.68 119.19 2d8m s LEU 99 Ca 0.67 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 53.31 2d8m s LEU 99 Cb -0.30 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 2d8m s LEU 99 CO 0.25 0.28 1.71 -2.16 0.23 0.00 0.00 176.35 176.67 2d8m s PRO 100 N -1.38 3.35 0.20 1.29 0.04 -1.26 -4.85 135.00 132.38 2d8m s PRO 100 Ca 0.16 1.25 0.17 0.00 0.04 0.00 0.00 61.00 62.63 2d8m s PRO 100 Cb -0.11 -4.17 0.82 0.00 0.04 0.00 0.00 34.50 31.08 2d8m s PRO 100 CO 0.07 -1.85 1.53 -1.13 0.04 0.00 0.00 177.00 175.66 2d8m n SER 101 N 10.09 0.41 0.28 6.66 3.41 -1.26 -2.06 113.62 131.16 2d8m n SER 101 Ca 0.21 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.60 2d8m n SER 101 Cb 0.47 -0.72 0.82 0.00 -0.26 0.00 0.00 64.21 64.53 2d8m n SER 101 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2d8m h GLN 102 N 0.00 0.00 0.00 4.33 4.15 -1.99 -1.14 115.11 120.46 2d8m h GLN 102 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 2d8m h GLN 102 Cb 0.16 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2d8m h GLN 102 CO 0.00 0.05 -1.06 0.00 -1.93 0.00 0.00 178.83 175.89 2d8m h ARG 103 N 0.00 0.00 -0.77 1.69 3.08 -1.82 -3.31 114.38 113.25 2d8m h ARG 103 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 2d8m h ARG 103 Cb 0.12 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.95 2d8m h ARG 103 CO 0.01 0.31 0.38 0.66 -1.07 0.00 0.00 179.97 180.26 2d8m n TYR 104 N -2.97 2.39 -2.61 3.04 4.02 -0.49 -4.98 117.16 115.56 2d8m n TYR 104 Ca -0.05 -1.67 -0.42 0.00 -0.01 0.00 0.00 57.90 55.75 2d8m n TYR 104 Cb 0.77 -0.77 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 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 -3.23 4.33 -0.13 7.72 1.43 -0.83 -3.26 118.68 124.70 2d8m s LEU 105 Ca 0.53 1.73 -0.08 0.00 -1.03 0.00 0.00 54.13 55.28 2d8m s LEU 105 Cb 0.45 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2d8m s LEU 105 CO 0.08 -0.39 -0.09 0.24 0.23 0.00 0.00 176.35 176.42 2d8m h MET 106 N 6.96 0.00 -6.11 1.70 2.86 -1.57 -3.49 114.93 115.28 2d8m h MET 106 Ca -0.38 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.66 2d8m h MET 106 Cb 1.19 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.73 2d8m h MET 106 CO 0.81 0.08 -0.70 0.00 1.06 0.00 0.00 176.91 178.15 2d8m s ALA 107 N -2.65 2.92 0.00 6.32 0.00 -1.25 -5.07 121.76 122.03 2d8m s ALA 107 Ca -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2d8m s ALA 107 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2d8m s ALA 107 CO 0.19 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2d8m n GLY 108 N -0.75 -1.99 0.16 0.00 0.00 -1.26 -4.78 105.19 96.57 2d8m n GLY 108 Ca -0.05 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 0.47 0.00 1.61 0.13 -2.01 -3.50 132.00 128.70 2d8m h PRO 109 Ca 0.00 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2d8m h PRO 109 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2d8m h PRO 109 CO 0.00 0.82 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 2d8m n GLY 110 N 0.19 -0.56 3.55 1.56 0.00 -1.26 -5.07 105.19 103.59 2d8m n GLY 110 Ca -0.05 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 111 N -4.00 4.69 -0.45 1.61 1.04 -1.26 -4.80 113.70 110.52 2d8m s SER 111 Ca 0.00 0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 2d8m s SER 111 Cb 0.00 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.93 2d8m s SER 111 CO 0.00 -2.87 1.99 -1.20 0.98 0.00 0.00 173.24 172.14 2d8m n SER 112 N 15.14 6.64 -3.76 7.02 7.64 -1.26 -4.83 113.62 140.21 2d8m n SER 112 Ca 0.34 -3.35 -0.23 0.00 1.01 0.00 0.00 58.87 56.63 2d8m n SER 112 Cb 0.51 -0.99 0.02 0.00 -1.01 0.00 0.00 64.21 62.74 2d8m n SER 112 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8m n SER 113 N -0.25 -1.51 -1.11 6.43 2.88 -1.26 -4.87 113.62 113.92 2d8m n SER 113 Ca 0.44 -0.84 0.11 0.00 -1.33 0.00 0.00 58.87 57.25 2d8m n SER 113 Cb 0.69 -3.91 0.23 0.00 -0.75 0.00 0.00 64.21 60.47 2d8m n SER 113 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2d8m n GLU 114 N -4.34 2.50 -0.87 -1.46 0.00 -1.26 -4.99 120.64 110.22 2d8m n GLU 114 Ca -0.26 -2.31 -0.28 0.00 0.00 0.00 0.00 57.16 54.31 2d8m n GLU 114 Cb 0.66 -1.48 0.22 0.00 0.00 0.00 0.00 31.44 30.83 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2d8m s GLU 115 N -1.26 -0.38 0.98 3.44 0.41 -1.26 -4.97 118.70 115.66 2d8m s GLU 115 Ca 0.38 0.60 -0.14 0.00 -0.41 0.00 0.00 54.97 55.41 2d8m s GLU 115 Cb 0.22 -1.63 0.06 0.00 -1.78 0.00 0.00 34.13 30.99 2d8m s GLU 115 CO 0.29 -3.30 0.37 -0.40 -0.49 0.00 0.00 175.26 171.73 2d8m n ASP 116 N -4.59 -2.04 -0.06 -0.19 5.75 -1.26 -4.97 116.55 109.19 2d8m n ASP 116 Ca 0.04 0.24 -0.22 0.00 -0.01 0.00 0.00 54.79 54.84 2d8m n ASP 116 Cb 0.56 -1.17 -0.12 0.00 -1.03 0.00 0.00 41.12 39.35 2d8m n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2d8m n GLU 117 N -1.93 0.66 -3.45 0.11 -0.58 -1.26 -4.96 120.64 109.24 2d8m n GLU 117 Ca 0.06 0.36 0.01 0.00 -0.42 0.00 0.00 57.16 57.17 2d8m n GLU 117 Cb 0.55 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.71 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8m s ALA 118 N -2.48 -2.25 0.38 0.62 0.00 -1.26 -5.17 121.76 111.60 2d8m s ALA 118 Ca -0.28 2.12 0.05 0.00 0.00 0.00 0.00 51.96 53.85 2d8m s ALA 118 Cb 0.08 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 2d8m s ALA 118 CO 0.66 -1.08 0.04 -1.12 0.00 0.00 0.00 175.76 174.26 2d8m s SER 119 N 2.84 3.13 0.04 0.00 0.01 -1.26 -5.16 113.70 113.29 2d8m s SER 119 Ca 0.03 -1.43 -0.20 0.00 1.31 0.00 0.00 55.95 55.66 2d8m s SER 119 Cb -0.12 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.06 2d8m s SER 119 CO -0.19 -0.60 0.47 -1.38 0.41 0.00 0.00 173.24 171.95 2d8m s HIS 120 N -3.03 -0.35 -0.04 2.43 -3.43 -1.26 -5.18 115.29 104.43 2d8m s HIS 120 Ca 0.32 0.39 -0.23 0.00 -0.80 0.00 0.00 55.06 54.74 2d8m s HIS 120 Cb 0.08 0.27 0.05 0.00 -1.43 0.00 0.00 32.58 31.55 2d8m s HIS 120 CO 0.15 -0.59 0.51 0.45 -2.00 0.00 0.00 174.74 173.26 2d8m s SER 121 N -1.89 -0.45 0.00 7.38 0.15 -1.26 -5.11 113.70 112.52 2d8m s SER 121 Ca -0.06 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2d8m s SER 121 Cb -0.01 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2d8m s SER 121 CO -0.01 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2d8m n GLY 122 N 1.20 0.04 3.01 9.45 0.00 -1.26 -5.10 105.19 112.52 2d8m n GLY 122 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 2d8m n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 123 N -3.17 0.62 -0.08 -0.02 0.00 -1.26 -5.13 107.32 98.28 2d8m s GLY 123 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.39 2d8m s GLY 123 CO 0.00 0.01 -0.11 -1.35 0.00 0.00 0.00 173.10 171.64 2d8m s SER 124 N 0.38 1.88 0.00 1.64 1.04 -1.26 -4.77 113.70 112.61 2d8m s SER 124 Ca -0.07 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2d8m s SER 124 Cb -0.11 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.17 2d8m s SER 124 CO 0.01 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2d8m n GLY 125 N 4.06 1.48 0.25 7.32 0.00 -1.26 -4.81 105.19 112.23 2d8m n GLY 125 Ca -0.21 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2d8m n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m h PRO 126 N 0.00 0.83 -6.42 1.61 0.13 -2.03 -3.44 132.00 122.69 2d8m h PRO 126 Ca 0.00 -0.44 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 2d8m h PRO 126 Cb 0.00 0.02 0.03 0.00 0.13 0.00 0.00 31.00 31.18 2d8m h PRO 126 CO 0.00 1.08 1.06 0.43 -0.23 0.00 0.00 178.00 180.34 2d8m n SER 127 N -4.05 3.69 -0.32 1.44 7.64 -1.26 -4.84 113.62 115.92 2d8m n SER 127 Ca -0.02 0.99 0.18 0.00 1.01 0.00 0.00 58.87 61.03 2d8m n SER 127 Cb 0.54 -1.47 0.38 0.00 -1.01 0.00 0.00 64.21 62.65 2d8m n SER 127 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d8m h SER 128 N 8.51 0.20 0.00 6.43 0.87 -1.95 -3.47 113.55 124.15 2d8m h SER 128 Ca -0.47 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2d8m h SER 128 Cb 1.25 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2d8m h SER 128 CO 0.94 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.68