#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or3 s SER 3 N 0.00 6.60 0.59 0.00 0.01 -1.26 -5.01 113.70 114.63 2or3 s SER 3 Ca 0.00 2.78 -0.13 0.00 1.31 0.00 0.00 55.95 59.91 2or3 s SER 3 Cb 0.00 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2or3 s SER 3 CO 0.00 -0.71 1.02 -0.54 0.41 0.00 0.00 173.24 173.42 2or3 s LYS 4 N -1.16 3.70 -0.02 12.44 -0.14 -1.26 -4.89 119.74 128.41 2or3 s LYS 4 Ca 0.55 0.81 0.04 0.00 -1.36 0.00 0.00 55.97 56.01 2or3 s LYS 4 Cb -0.43 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 33.62 2or3 s LYS 4 CO 0.51 -0.48 -0.14 1.03 -0.76 0.00 0.00 175.35 175.50 2or3 s ARG 5 N -4.86 1.23 -0.02 1.68 1.81 -1.26 -0.95 118.95 116.59 2or3 s ARG 5 Ca 0.56 -0.49 0.05 0.00 -1.72 0.00 0.00 55.73 54.13 2or3 s ARG 5 Cb -0.11 -1.16 -0.01 0.00 -0.45 0.00 0.00 34.95 33.22 2or3 s ARG 5 CO 0.47 0.26 -0.16 0.00 -0.68 0.00 0.00 175.30 175.20 2or3 s ALA 6 N -0.18 1.35 -0.23 2.13 0.00 -0.28 -0.29 121.76 124.27 2or3 s ALA 6 Ca 0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 2or3 s ALA 6 Cb -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2or3 s ALA 6 CO 0.00 0.32 -0.00 -1.17 0.00 0.00 0.00 175.76 174.91 2or3 s LEU 7 N -0.31 3.12 -0.23 0.00 2.96 -0.50 -0.43 118.68 123.29 2or3 s LEU 7 Ca 0.05 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2or3 s LEU 7 Cb -0.07 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2or3 s LEU 7 CO -0.00 -0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.32 2or3 s VAL 8 N 1.46 3.68 -0.33 1.68 1.01 -0.14 -0.42 120.40 127.34 2or3 s VAL 8 Ca 0.05 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2or3 s VAL 8 Cb -0.15 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2or3 s VAL 8 CO -0.00 0.40 0.45 -0.63 0.00 0.00 0.00 175.10 175.31 2or3 s ILE 9 N 1.46 5.09 -0.35 2.22 1.01 -0.91 -0.92 121.20 128.80 2or3 s ILE 9 Ca 0.05 0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 2or3 s ILE 9 Cb -0.14 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.49 2or3 s ILE 9 CO -0.01 -0.12 0.13 -0.22 0.00 0.00 0.00 174.94 174.73 2or3 s LEU 10 N 2.22 4.44 0.13 2.97 2.96 0.20 -4.45 118.68 127.17 2or3 s LEU 10 Ca 0.16 -1.16 0.06 0.00 -0.22 0.00 0.00 54.13 52.97 2or3 s LEU 10 Cb -0.16 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2or3 s LEU 10 CO 0.12 -0.35 0.01 0.00 -1.32 0.00 0.00 176.35 174.81 2or3 s ALA 11 N 1.42 3.28 0.20 5.97 0.00 -1.26 -1.54 121.76 129.82 2or3 s ALA 11 Ca -0.01 -1.24 -0.32 0.00 0.00 0.00 0.00 51.96 50.39 2or3 s ALA 11 Cb -0.20 -1.12 -0.14 0.00 0.00 0.00 0.00 23.12 21.66 2or3 s ALA 11 CO 0.03 0.58 1.33 1.17 0.00 0.00 0.00 175.76 178.88 2or3 n LYS 12 N 0.17 1.68 -0.73 0.00 4.81 -1.26 -1.39 118.16 121.44 2or3 n LYS 12 Ca -0.10 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 2or3 n LYS 12 Cb 0.54 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.38 2or3 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2or3 n GLY 13 N 2.24 0.74 3.73 3.14 0.00 -0.37 -2.94 105.19 111.72 2or3 n GLY 13 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2or3 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2or3 s ALA 14 N -2.68 2.45 -0.30 4.61 0.00 -0.48 -2.34 121.76 123.02 2or3 s ALA 14 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 2or3 s ALA 14 Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 2or3 s ALA 14 CO 0.00 -1.58 1.33 -2.00 0.00 0.00 0.00 175.76 173.51 2or3 s GLU 15 N -3.30 3.89 0.30 0.00 -6.30 -0.00 -0.46 118.70 112.83 2or3 s GLU 15 Ca 0.81 1.27 0.03 0.00 -2.50 0.00 0.00 54.97 54.58 2or3 s GLU 15 Cb -0.38 -3.90 0.49 0.00 0.00 0.00 0.00 34.13 30.33 2or3 s GLU 15 CO 0.41 -1.16 1.78 1.05 0.02 0.00 0.00 175.26 177.37 2or3 h GLU 16 N 9.49 0.51 -0.60 4.30 9.09 -1.91 -1.61 114.58 133.84 2or3 h GLU 16 Ca -0.27 -0.15 -0.08 0.00 0.05 0.00 0.00 59.36 58.91 2or3 h GLU 16 Cb 1.10 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.13 2or3 h GLU 16 CO 1.03 0.64 0.08 0.52 0.05 0.00 0.00 179.01 181.34 2or3 h MET 17 N 0.47 1.01 0.00 1.06 2.86 -1.99 -0.38 114.93 117.96 2or3 h MET 17 Ca 0.08 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2or3 h MET 17 Cb 0.52 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2or3 h MET 17 CO 0.03 0.95 0.00 0.93 1.06 0.00 0.00 176.91 179.89 2or3 h GLU 18 N 0.91 0.00 0.00 1.72 5.08 -1.78 -1.02 114.58 119.49 2or3 h GLU 18 Ca 0.18 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2or3 h GLU 18 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2or3 h GLU 18 CO 0.01 0.00 -0.73 1.15 -1.00 0.00 0.00 179.01 178.45 2or3 h THR 19 N 0.00 0.50 -0.26 1.13 2.02 -1.10 -3.39 112.91 111.81 2or3 h THR 19 Ca 0.00 -1.57 -0.18 0.00 0.77 0.00 0.00 66.41 65.43 2or3 h THR 19 Cb 0.42 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2or3 h THR 19 CO 0.00 0.17 -0.54 0.58 0.37 0.00 0.00 175.52 176.10 2or3 h VAL 20 N -1.00 1.29 0.16 3.16 2.07 -1.01 -2.63 116.25 118.28 2or3 h VAL 20 Ca -0.14 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 2or3 h VAL 20 Cb 0.82 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2or3 h VAL 20 CO -0.09 0.56 -0.07 0.40 0.02 0.00 0.00 177.57 178.39 2or3 h ILE 21 N 0.59 0.88 -0.71 4.57 2.04 -1.41 -0.41 117.51 123.06 2or3 h ILE 21 Ca 0.01 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2or3 h ILE 21 Cb 1.13 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2or3 h ILE 21 CO 0.12 0.03 0.36 -0.65 0.00 0.00 0.00 178.15 178.00 2or3 h PRO 22 N -0.27 1.02 -0.09 2.37 0.11 -1.76 -1.17 132.00 132.21 2or3 h PRO 22 Ca -0.02 -0.14 0.02 0.00 0.11 0.00 0.00 66.00 65.97 2or3 h PRO 22 Cb 0.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 2or3 h PRO 22 CO 0.04 0.79 -0.02 0.28 -0.21 0.00 0.00 178.00 178.87 2or3 h VAL 23 N 0.99 0.91 0.12 3.15 2.07 -1.24 -0.53 116.25 121.72 2or3 h VAL 23 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2or3 h VAL 23 Cb 0.09 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2or3 h VAL 23 CO -0.03 0.00 -0.06 -0.78 0.02 0.00 0.00 177.57 176.72 2or3 h ASP 24 N -0.00 -0.13 -0.58 0.57 1.82 -0.94 -1.06 116.42 116.09 2or3 h ASP 24 Ca 0.04 -0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2or3 h ASP 24 Cb 0.07 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2or3 h ASP 24 CO -0.10 0.08 0.35 0.58 -1.61 0.00 0.00 179.24 178.54 2or3 h VAL 25 N -0.34 1.18 -0.71 2.25 2.07 -1.19 0.16 116.25 119.67 2or3 h VAL 25 Ca -0.02 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2or3 h VAL 25 Cb 0.28 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2or3 h VAL 25 CO 0.03 0.18 0.39 0.24 0.02 0.00 0.00 177.57 178.44 2or3 h MET 26 N 0.79 0.98 -0.48 1.57 2.86 -1.04 -2.31 114.93 117.29 2or3 h MET 26 Ca 0.21 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2or3 h MET 26 Cb -0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 2or3 h MET 26 CO -0.04 0.72 0.05 0.00 1.06 0.00 0.00 176.91 178.71 2or3 h ARG 27 N 0.97 0.76 -0.16 1.72 3.08 -0.64 -1.30 114.38 118.81 2or3 h ARG 27 Ca 0.25 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.16 2or3 h ARG 27 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2or3 h ARG 27 CO -0.04 0.74 0.11 0.00 -1.07 0.00 0.00 179.97 179.71 2or3 h ARG 28 N 0.72 0.01 -0.00 0.04 3.08 -0.56 -1.38 114.38 116.29 2or3 h ARG 28 Ca 0.15 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2or3 h ARG 28 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2or3 h ARG 28 CO 0.01 0.01 -0.01 0.00 -1.07 0.00 0.00 179.97 178.90 2or3 n ALA 29 N -2.57 2.66 -0.79 0.04 0.00 -0.55 -4.90 120.51 114.39 2or3 n ALA 29 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2or3 n ALA 29 Cb 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2or3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2or3 n GLY 30 N 1.09 0.57 3.75 0.00 0.00 -0.52 -5.04 105.19 105.04 2or3 n GLY 30 Ca 0.21 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2or3 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2or3 s ILE 31 N -2.00 4.42 -0.45 -0.61 1.01 -0.83 -4.51 121.20 118.24 2or3 s ILE 31 Ca 0.00 1.89 -0.24 0.00 0.00 0.00 0.00 60.65 62.30 2or3 s ILE 31 Cb 0.00 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.26 2or3 s ILE 31 CO 0.00 0.42 0.82 -0.54 0.00 0.00 0.00 174.94 175.64 2or3 s LYS 32 N -0.57 3.47 -0.17 2.79 1.02 -0.12 -4.09 119.74 122.07 2or3 s LYS 32 Ca 0.41 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.35 2or3 s LYS 32 Cb -0.23 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 2or3 s LYS 32 CO 0.28 -1.12 0.02 0.08 -0.92 0.00 0.00 175.35 173.69 2or3 s VAL 33 N 3.40 4.43 -0.29 3.17 1.01 -1.26 -1.13 120.40 129.73 2or3 s VAL 33 Ca 0.32 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 2or3 s VAL 33 Cb -0.12 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2or3 s VAL 33 CO 0.23 0.48 0.08 -0.89 0.00 0.00 0.00 175.10 175.00 2or3 s THR 34 N 0.27 4.00 -0.54 3.92 2.01 0.43 -4.97 115.64 120.76 2or3 s THR 34 Ca 0.01 -0.64 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 2or3 s THR 34 Cb -0.13 -3.04 0.04 0.00 0.01 0.00 0.00 72.50 69.38 2or3 s THR 34 CO 0.01 0.11 0.99 -0.69 -0.69 0.00 0.00 174.62 174.35 2or3 s VAL 35 N 1.51 4.33 -0.21 3.82 1.01 -1.26 -0.96 120.40 128.64 2or3 s VAL 35 Ca 0.03 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 2or3 s VAL 35 Cb -0.17 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.63 2or3 s VAL 35 CO 0.03 -1.12 0.01 0.00 0.00 0.00 0.00 175.10 174.02 2or3 s ALA 36 N 4.11 3.06 -0.23 5.51 0.00 -0.09 0.03 121.76 134.14 2or3 s ALA 36 Ca 0.34 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2or3 s ALA 36 Cb -0.11 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.20 2or3 s ALA 36 CO 0.21 -0.20 1.04 0.20 0.00 0.00 0.00 175.76 177.01 2or3 s GLY 37 N 1.09 1.71 0.21 0.00 0.00 0.07 -0.63 107.32 109.77 2or3 s GLY 37 Ca 0.03 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 2or3 s GLY 37 CO 0.02 2.18 1.68 -2.00 0.00 0.00 0.00 173.10 174.99 2or3 h LEU 38 N 9.42 -0.15 -0.48 0.66 5.85 -1.62 0.22 115.31 129.21 2or3 h LEU 38 Ca -0.19 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2or3 h LEU 38 Cb 1.06 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2or3 h LEU 38 CO 0.98 -0.06 -0.07 0.00 -0.34 0.00 0.00 178.44 178.95 2or3 n ALA 39 N -2.69 2.72 0.00 1.25 0.00 -1.26 -4.61 120.51 115.91 2or3 n ALA 39 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2or3 n ALA 39 Cb 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2or3 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2or3 n GLY 40 N 1.19 0.71 0.54 0.00 0.00 -0.95 -4.87 105.19 101.82 2or3 n GLY 40 Ca 0.18 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.26 2or3 n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2or3 n LYS 41 N 0.00 1.74 -1.62 1.61 2.85 -1.26 -4.00 118.16 117.49 2or3 n LYS 41 Ca 0.00 -1.09 -0.33 0.00 -1.05 0.00 0.00 58.31 55.84 2or3 n LYS 41 Cb 0.00 -1.46 0.07 0.00 -0.65 0.00 0.00 35.03 32.99 2or3 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2or3 s ASP 42 N -1.89 4.74 0.59 -5.58 1.01 -1.26 -4.47 116.67 109.81 2or3 s ASP 42 Ca 0.36 2.12 -0.19 0.00 0.71 0.00 0.00 52.55 55.55 2or3 s ASP 42 Cb 0.20 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 2or3 s ASP 42 CO 0.32 -1.88 1.08 -2.65 0.21 0.00 0.00 175.17 172.25 2or3 n PRO 43 N -2.57 1.10 -4.50 8.23 -0.02 -1.26 -4.48 135.00 131.50 2or3 n PRO 43 Ca 0.11 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 2or3 n PRO 43 Cb 0.51 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 2or3 n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2or3 s VAL 44 N -1.44 2.65 -0.36 -1.45 1.01 0.40 -4.94 120.40 116.28 2or3 s VAL 44 Ca 0.75 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 2or3 s VAL 44 Cb -0.42 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2or3 s VAL 44 CO 0.47 0.51 0.94 -1.58 0.00 0.00 0.00 175.10 175.44 2or3 s GLN 45 N 0.84 3.88 0.88 2.72 0.74 -1.26 -1.52 119.66 125.94 2or3 s GLN 45 Ca -0.05 0.64 -0.09 0.00 0.05 0.00 0.00 55.36 55.91 2or3 s GLN 45 Cb -0.15 -3.79 0.19 0.00 1.10 0.00 0.00 33.01 30.36 2or3 s GLN 45 CO -0.01 -0.92 1.20 0.00 -0.55 0.00 0.00 175.29 175.01 2or3 h SER 47 N -1.23 0.68 -0.55 0.00 4.64 -0.87 -0.70 113.55 115.53 2or3 h SER 47 Ca -0.39 -0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 60.58 2or3 h SER 47 Cb 1.23 -0.17 -0.20 0.00 -0.31 0.00 0.00 62.40 62.96 2or3 h SER 47 CO 0.34 0.49 -0.03 0.54 -0.87 0.00 0.00 176.83 177.30 2or3 n ARG 48 N -4.45 2.25 -0.99 4.77 3.00 -1.26 -4.96 116.66 115.03 2or3 n ARG 48 Ca 0.06 -3.36 0.00 0.00 -0.01 0.00 0.00 57.85 54.55 2or3 n ARG 48 Cb 0.06 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 30.54 2or3 n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2or3 n ASP 49 N -1.04 -4.15 -4.76 0.55 8.00 -0.27 -4.99 116.55 109.89 2or3 n ASP 49 Ca 0.41 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 2or3 n ASP 49 Cb 1.04 -1.88 -0.02 0.00 -0.02 0.00 0.00 41.12 40.23 2or3 n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2or3 s VAL 50 N -1.59 2.80 -0.23 2.53 1.01 -1.26 -4.69 120.40 118.97 2or3 s VAL 50 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 2or3 s VAL 50 Cb 0.00 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2or3 s VAL 50 CO 0.00 0.14 -0.04 -0.69 0.00 0.00 0.00 175.10 174.52 2or3 s VAL 51 N -0.55 3.35 -0.11 2.92 1.01 -1.26 -0.40 120.40 125.37 2or3 s VAL 51 Ca 0.54 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2or3 s VAL 51 Cb -0.40 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2or3 s VAL 51 CO 0.47 0.38 -0.15 -0.63 0.00 0.00 0.00 175.10 175.17 2or3 s ILE 52 N 1.47 2.89 -0.26 2.22 1.01 -0.58 -4.90 121.20 123.05 2or3 s ILE 52 Ca 0.05 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 2or3 s ILE 52 Cb -0.15 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2or3 s ILE 52 CO -0.03 0.54 0.54 0.00 0.00 0.00 0.00 174.94 175.99 2or3 s PRO 54 N 2.35 2.25 0.29 0.00 0.04 -1.26 -4.94 135.00 133.72 2or3 s PRO 54 Ca 0.22 1.22 0.13 0.00 0.04 0.00 0.00 61.00 62.61 2or3 s PRO 54 Cb -0.16 -1.89 0.38 0.00 0.04 0.00 0.00 34.50 32.87 2or3 s PRO 54 CO 0.09 -1.65 1.60 -0.44 0.04 0.00 0.00 177.00 176.64 2or3 h ASP 55 N -1.02 0.00 -4.83 6.66 3.32 -0.77 -3.48 116.42 116.30 2or3 h ASP 55 Ca -0.44 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.69 2or3 h ASP 55 Cb 1.24 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 2or3 h ASP 55 CO 0.51 0.58 0.40 0.00 -1.72 0.00 0.00 179.24 179.01 2or3 s ALA 56 N -3.48 -1.71 0.67 3.45 0.00 -1.14 -5.01 121.76 114.53 2or3 s ALA 56 Ca -0.00 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 2or3 s ALA 56 Cb 0.12 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2or3 s ALA 56 CO 0.75 -0.76 1.10 -1.54 0.00 0.00 0.00 175.76 175.30 2or3 s SER 57 N -2.63 5.13 0.30 0.00 1.04 -1.26 -0.75 113.70 115.53 2or3 s SER 57 Ca 0.05 1.94 -0.02 0.00 0.48 0.00 0.00 55.95 58.40 2or3 s SER 57 Cb -0.01 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 64.00 2or3 s SER 57 CO -0.08 -1.61 1.95 0.25 0.98 0.00 0.00 173.24 174.72 2or3 h LEU 58 N -0.09 0.93 -0.49 2.42 5.85 -1.22 -0.08 115.31 122.64 2or3 h LEU 58 Ca -0.46 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.25 2or3 h LEU 58 Cb 1.24 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2or3 h LEU 58 CO 0.54 0.70 0.27 -0.08 -0.34 0.00 0.00 178.44 179.53 2or3 h GLU 59 N 1.08 0.52 -0.28 1.25 4.81 -1.89 0.12 114.58 120.19 2or3 h GLU 59 Ca 0.29 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.31 2or3 h GLU 59 Cb -0.07 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2or3 h GLU 59 CO -0.06 0.34 -0.50 -0.44 -0.73 0.00 0.00 179.01 177.63 2or3 h ASP 60 N 0.54 0.93 -0.40 1.04 3.32 -1.86 -3.09 116.42 116.89 2or3 h ASP 60 Ca 0.20 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 2or3 h ASP 60 Cb 0.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2or3 h ASP 60 CO -0.11 1.28 0.13 0.00 -1.72 0.00 0.00 179.24 178.81 2or3 h ALA 61 N 0.67 1.34 -0.99 3.45 0.00 -0.67 -2.44 119.26 120.62 2or3 h ALA 61 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2or3 h ALA 61 Cb 1.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2or3 h ALA 61 CO 0.11 0.47 0.66 -0.22 0.00 0.00 0.00 179.25 180.27 2or3 h LYS 62 N 0.68 1.30 0.00 0.00 3.64 -0.90 -0.93 116.57 120.36 2or3 h LYS 62 Ca 0.16 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2or3 h LYS 62 Cb 0.24 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2or3 h LYS 62 CO -0.01 0.86 0.00 0.87 -2.27 0.00 0.00 179.45 178.91 2or3 h LYS 63 N 1.34 0.00 -0.58 1.90 1.57 -1.45 -2.05 116.57 117.30 2or3 h LYS 63 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2or3 h LYS 63 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2or3 h LYS 63 CO -0.08 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.19 2or3 n GLU 64 N -2.88 2.50 -0.15 3.15 -0.58 -0.37 -4.94 120.64 117.37 2or3 n GLU 64 Ca -0.00 -2.31 0.00 0.00 -0.42 0.00 0.00 57.16 54.42 2or3 n GLU 64 Cb 0.21 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2or3 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2or3 n GLY 65 N 1.53 0.32 3.82 0.62 0.00 -0.77 -4.87 105.19 105.83 2or3 n GLY 65 Ca 0.21 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2or3 n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2or3 s PRO 66 N -0.04 1.45 0.14 1.61 0.04 -1.26 -5.10 135.00 131.84 2or3 s PRO 66 Ca 0.00 0.26 0.08 0.00 0.04 0.00 0.00 61.00 61.38 2or3 s PRO 66 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2or3 s PRO 66 CO 0.00 -1.98 -0.08 0.71 0.04 0.00 0.00 177.00 175.69 2or3 s TYR 67 N -3.36 2.73 0.10 0.56 1.51 -1.26 -4.99 117.35 112.65 2or3 s TYR 67 Ca 0.63 -0.17 0.21 0.00 -1.01 0.00 0.00 57.07 56.73 2or3 s TYR 67 Cb -0.14 -1.38 0.70 0.00 -0.11 0.00 0.00 41.96 41.03 2or3 s TYR 67 CO 0.52 0.47 1.73 -0.44 -1.11 0.00 0.00 175.55 176.73 2or3 h ASP 68 N 3.20 0.00 -4.14 2.29 3.32 -1.02 -3.44 116.42 116.63 2or3 h ASP 68 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.40 2or3 h ASP 68 Cb 1.19 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 2or3 h ASP 68 CO 0.54 0.32 -0.52 0.54 -1.72 0.00 0.00 179.24 178.40 2or3 s VAL 69 N -3.54 0.02 -0.18 -1.35 0.11 -1.07 -2.93 120.40 111.47 2or3 s VAL 69 Ca 0.01 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 2or3 s VAL 69 Cb 0.10 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2or3 s VAL 69 CO 0.67 -0.11 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.59 2or3 s VAL 70 N -0.34 3.61 -0.13 2.04 1.01 -0.81 -1.40 120.40 124.37 2or3 s VAL 70 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2or3 s VAL 70 Cb -0.03 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2or3 s VAL 70 CO 0.01 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.74 2or3 s VAL 71 N 0.81 2.90 -0.40 2.92 1.01 0.44 -1.00 120.40 127.08 2or3 s VAL 71 Ca -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2or3 s VAL 71 Cb -0.15 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.11 2or3 s VAL 71 CO 0.02 0.52 0.20 -0.76 0.00 0.00 0.00 175.10 175.08 2or3 s LEU 72 N 0.47 5.07 1.05 3.92 1.43 0.39 -2.15 118.68 128.86 2or3 s LEU 72 Ca -0.10 -1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 51.12 2or3 s LEU 72 Cb -0.16 -1.87 0.22 0.00 0.03 0.00 0.00 46.19 44.41 2or3 s LEU 72 CO 0.05 -0.51 1.07 -2.84 0.23 0.00 0.00 176.35 174.34 2or3 s PRO 73 N 1.26 -0.04 0.00 1.29 0.02 -1.26 -1.88 135.00 134.38 2or3 s PRO 73 Ca 0.05 0.83 0.00 0.00 0.02 0.00 0.00 61.00 61.90 2or3 s PRO 73 Cb -0.23 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2or3 s PRO 73 CO -0.02 -3.13 0.00 0.41 -0.33 0.00 0.00 177.00 173.93 2or3 n GLY 74 N -0.05 1.74 0.00 0.52 0.00 -1.07 -3.95 105.19 102.38 2or3 n GLY 74 Ca 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2or3 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2or3 n GLY 75 N 5.00 -0.23 0.41 -0.02 0.00 -1.26 -0.82 105.19 108.27 2or3 n GLY 75 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 2or3 n GLY 75 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2or3 h ASN 76 N 0.00 -1.29 -0.15 1.61 -1.24 -1.96 -0.12 115.58 112.43 2or3 h ASN 76 Ca 0.00 0.15 -0.16 0.00 0.71 0.00 0.00 56.30 57.00 2or3 h ASN 76 Cb 0.00 0.50 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 2or3 h ASN 76 CO 0.00 -0.48 -0.49 0.25 -1.29 0.00 0.00 177.43 175.42 2or3 h LEU 77 N -0.62 0.78 -0.50 0.34 5.85 -1.87 -1.93 115.31 117.36 2or3 h LEU 77 Ca 0.03 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2or3 h LEU 77 Cb 0.67 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2or3 h LEU 77 CO -0.29 1.14 0.28 1.23 -0.34 0.00 0.00 178.44 180.45 2or3 h GLY 78 N 0.91 0.75 1.22 3.75 0.00 -1.18 -0.26 103.07 108.27 2or3 h GLY 78 Ca 0.03 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2or3 h GLY 78 CO 0.10 0.33 0.10 0.00 0.00 0.00 0.00 176.54 177.07 2or3 h ALA 79 N 1.12 1.04 -0.34 3.60 0.00 -0.94 0.58 119.26 124.31 2or3 h ALA 79 Ca 0.18 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2or3 h ALA 79 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2or3 h ALA 79 CO -0.03 0.62 0.20 0.37 0.00 0.00 0.00 179.25 180.41 2or3 h GLN 80 N 0.91 0.40 -0.66 0.00 5.75 -0.95 0.12 115.11 120.69 2or3 h GLN 80 Ca 0.19 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 2or3 h GLN 80 Cb 0.40 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2or3 h GLN 80 CO 0.01 0.27 0.36 -0.91 -2.65 0.00 0.00 178.83 175.91 2or3 h ASN 81 N 0.41 0.82 -0.78 -0.69 2.35 -0.59 -1.10 115.58 116.00 2or3 h ASN 81 Ca 0.13 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2or3 h ASN 81 Cb -0.01 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 2or3 h ASN 81 CO -0.05 0.67 0.51 -0.07 -1.65 0.00 0.00 177.43 176.84 2or3 h LEU 82 N 0.90 0.91 -1.53 1.61 3.38 -0.59 -2.79 115.31 117.19 2or3 h LEU 82 Ca 0.23 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2or3 h LEU 82 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2or3 h LEU 82 CO -0.04 0.67 -0.19 0.28 0.09 0.00 0.00 178.44 179.26 2or3 h SER 83 N 1.07 0.00 0.29 -0.43 0.02 0.07 -2.86 113.55 111.70 2or3 h SER 83 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2or3 h SER 83 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2or3 h SER 83 CO -0.06 0.19 -0.33 -0.62 -1.14 0.00 0.00 176.83 174.86 2or3 n GLU 84 N -3.55 0.63 -3.19 3.45 1.02 -0.49 -4.79 120.64 113.72 2or3 n GLU 84 Ca -0.01 -0.38 -0.41 0.00 -0.02 0.00 0.00 57.16 56.34 2or3 n GLU 84 Cb 0.33 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 2or3 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2or3 s SER 85 N -2.63 6.44 0.44 1.62 0.15 -1.08 -4.92 113.70 113.72 2or3 s SER 85 Ca 0.21 0.38 0.14 0.00 0.70 0.00 0.00 55.95 57.38 2or3 s SER 85 Cb 0.19 -2.30 0.98 0.00 -1.71 0.00 0.00 66.02 63.18 2or3 s SER 85 CO 0.57 -0.40 1.98 0.00 1.20 0.00 0.00 173.24 176.59 2or3 h ALA 86 N 8.17 1.66 -0.49 5.45 0.00 -1.90 -1.33 119.26 130.82 2or3 h ALA 86 Ca -0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2or3 h ALA 86 Cb 1.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2or3 h ALA 86 CO 0.76 0.25 -0.08 0.00 0.00 0.00 0.00 179.25 180.18 2or3 h ALA 87 N 1.80 0.67 -0.63 0.00 0.00 -1.95 -1.82 119.26 117.33 2or3 h ALA 87 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2or3 h ALA 87 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2or3 h ALA 87 CO 0.03 0.54 0.22 0.28 0.00 0.00 0.00 179.25 180.32 2or3 h VAL 88 N 0.77 1.24 -0.43 0.00 2.07 -1.70 -2.11 116.25 116.10 2or3 h VAL 88 Ca 0.13 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 66.93 2or3 h VAL 88 Cb 0.62 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 2or3 h VAL 88 CO 0.04 0.31 -0.13 0.50 0.02 0.00 0.00 177.57 178.31 2or3 h LYS 89 N 0.90 -0.04 -0.43 1.57 3.64 -0.89 -0.26 116.57 121.06 2or3 h LYS 89 Ca 0.21 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2or3 h LYS 89 Cb 0.26 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2or3 h LYS 89 CO -0.01 -0.02 -0.04 1.49 -2.27 0.00 0.00 179.45 178.60 2or3 h GLU 90 N -0.04 0.78 -0.31 1.90 4.81 -1.18 0.11 114.58 120.65 2or3 h GLU 90 Ca 0.21 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 2or3 h GLU 90 Cb 0.35 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 2or3 h GLU 90 CO -0.46 0.87 -0.25 0.82 -0.73 0.00 0.00 179.01 179.26 2or3 h ILE 91 N 0.61 0.36 -0.48 2.32 1.08 -0.96 -0.59 117.51 119.85 2or3 h ILE 91 Ca 0.12 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.45 2or3 h ILE 91 Cb 0.54 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2or3 h ILE 91 CO 0.03 0.00 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.19 2or3 h LEU 92 N -0.23 1.03 -0.84 1.44 3.38 -0.76 -1.07 115.31 118.26 2or3 h LEU 92 Ca 0.16 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2or3 h LEU 92 Cb 0.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2or3 h LEU 92 CO -0.44 1.20 0.32 0.11 0.09 0.00 0.00 178.44 179.73 2or3 h LYS 93 N 0.85 1.17 -0.40 1.13 1.79 -0.69 0.09 116.57 120.52 2or3 h LYS 93 Ca 0.11 -0.21 -0.14 0.00 -2.18 0.00 0.00 60.65 58.24 2or3 h LYS 93 Cb 0.81 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2or3 h LYS 93 CO 0.07 0.94 -0.29 0.93 -1.08 0.00 0.00 179.45 180.02 2or3 h GLU 94 N 1.15 0.86 -0.48 3.15 5.08 -0.94 -1.51 114.58 121.88 2or3 h GLU 94 Ca 0.26 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2or3 h GLU 94 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2or3 h GLU 94 CO -0.02 1.04 0.07 0.37 -1.00 0.00 0.00 179.01 179.47 2or3 h GLN 95 N 0.73 0.81 -0.69 2.33 5.75 -0.76 -1.04 115.11 122.23 2or3 h GLN 95 Ca 0.08 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 2or3 h GLN 95 Cb 0.85 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 2or3 h GLN 95 CO 0.07 0.81 0.33 1.49 -2.65 0.00 0.00 178.83 178.89 2or3 h GLU 96 N 0.68 1.00 0.00 1.69 4.81 -0.94 -0.87 114.58 120.96 2or3 h GLU 96 Ca 0.15 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2or3 h GLU 96 Cb 0.40 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2or3 h GLU 96 CO 0.01 0.79 -0.17 -0.91 -0.73 0.00 0.00 179.01 178.01 2or3 h ASN 97 N 0.97 0.00 -0.45 1.04 2.35 -0.93 -1.73 115.58 116.83 2or3 h ASN 97 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2or3 h ASN 97 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2or3 h ASN 97 CO -0.03 0.17 0.00 -2.11 -1.65 0.00 0.00 177.43 173.81 2or3 n ARG 98 N -3.66 2.52 -3.31 0.81 1.85 -0.42 -4.97 116.66 109.47 2or3 n ARG 98 Ca -0.01 -2.31 -0.17 0.00 -1.00 0.00 0.00 57.85 54.36 2or3 n ARG 98 Cb 0.29 -1.52 0.07 0.00 -1.05 0.00 0.00 32.46 30.25 2or3 n ARG 98 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2or3 n LYS 99 N 1.48 -6.15 -4.05 2.89 5.02 -0.65 -5.02 118.16 111.69 2or3 n LYS 99 Ca 0.20 0.73 -0.26 0.00 -2.02 0.00 0.00 58.31 56.96 2or3 n LYS 99 Cb 0.60 -5.42 -0.05 0.00 -0.02 0.00 0.00 35.03 30.14 2or3 n LYS 99 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2or3 s GLY 100 N -3.87 1.71 0.32 0.72 0.00 -0.37 -5.05 107.32 100.79 2or3 s GLY 100 Ca 0.18 -1.17 -0.29 0.00 0.00 0.00 0.00 44.72 43.44 2or3 s GLY 100 CO 0.63 -1.17 1.25 -2.27 0.00 0.00 0.00 173.10 171.53 2or3 s LEU 101 N -3.14 4.44 -0.08 0.66 2.96 -1.15 -4.52 118.68 117.85 2or3 s LEU 101 Ca 0.32 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.83 2or3 s LEU 101 Cb -0.10 -3.67 0.01 0.00 0.50 0.00 0.00 46.19 42.93 2or3 s LEU 101 CO 0.25 -0.45 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.02 2or3 s ILE 102 N -1.16 1.59 -0.07 6.68 1.01 -0.46 -1.92 121.20 126.87 2or3 s ILE 102 Ca 0.48 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2or3 s ILE 102 Cb -0.37 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2or3 s ILE 102 CO 0.49 0.46 -0.09 0.00 0.00 0.00 0.00 174.94 175.79 2or3 s ALA 103 N 0.50 1.13 -0.00 9.38 0.00 -0.17 -1.16 121.76 131.43 2or3 s ALA 103 Ca -0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 2or3 s ALA 103 Cb -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2or3 s ALA 103 CO 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 175.76 175.81 2or3 s ALA 104 N 0.92 -0.01 0.03 0.00 0.00 -0.20 -0.46 121.76 122.04 2or3 s ALA 104 Ca -0.10 0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.94 2or3 s ALA 104 Cb -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2or3 s ALA 104 CO 0.01 -0.00 -0.18 -1.50 0.00 0.00 0.00 175.76 174.09 2or3 s ILE 105 N 0.02 1.41 0.00 0.00 2.07 -0.79 -2.06 121.20 121.85 2or3 s ILE 105 Ca -0.00 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.23 2or3 s ILE 105 Cb -0.00 -1.22 0.00 0.00 0.13 0.00 0.00 42.46 41.36 2or3 s ILE 105 CO -0.00 0.20 0.00 0.00 -1.91 0.00 0.00 174.94 173.23 2or3 h ALA 107 N -0.38 0.71 -1.01 0.00 0.00 -1.88 -1.22 119.26 115.48 2or3 h ALA 107 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2or3 h ALA 107 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2or3 h ALA 107 CO 0.00 0.00 0.61 0.78 0.00 0.00 0.00 179.25 180.64 2or3 h GLY 108 N 4.38 1.81 2.00 0.00 0.00 -1.01 -0.59 103.07 109.66 2or3 h GLY 108 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2or3 h GLY 108 CO 0.00 -0.22 -0.00 -2.55 0.00 0.00 0.00 176.54 173.77 2or3 h PRO 109 N 0.56 0.00 0.00 4.80 0.11 -1.76 -1.42 132.00 134.29 2or3 h PRO 109 Ca 0.64 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.74 2or3 h PRO 109 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2or3 h PRO 109 CO -0.45 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 179.10 2or3 h THR 110 N 0.00 0.20 0.00 -1.15 1.35 -1.41 -0.05 112.91 111.85 2or3 h THR 110 Ca -0.00 -0.29 -0.10 0.00 -0.55 0.00 0.00 66.41 65.47 2or3 h THR 110 Cb 0.04 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2or3 h THR 110 CO 0.00 0.03 -0.48 0.00 -0.25 0.00 0.00 175.52 174.82 2or3 h ALA 111 N 1.96 1.05 -0.60 6.62 0.00 -1.42 -1.67 119.26 125.20 2or3 h ALA 111 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2or3 h ALA 111 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2or3 h ALA 111 CO 0.00 0.60 0.35 -0.07 0.00 0.00 0.00 179.25 180.14 2or3 h LEU 112 N 0.00 0.74 -0.16 0.00 3.38 -1.14 -1.93 115.31 116.20 2or3 h LEU 112 Ca -0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2or3 h LEU 112 Cb 0.94 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2or3 h LEU 112 CO 0.06 0.60 0.09 0.25 0.09 0.00 0.00 178.44 179.53 2or3 h LEU 113 N 0.82 0.15 -1.36 1.67 5.85 -1.32 0.22 115.31 121.34 2or3 h LEU 113 Ca 0.21 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.03 2or3 h LEU 113 Cb 0.01 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2or3 h LEU 113 CO -0.04 0.11 0.51 0.00 -0.34 0.00 0.00 178.44 178.68 2or3 h ALA 114 N 1.07 1.76 -0.57 1.25 0.00 -1.12 -1.96 119.26 119.69 2or3 h ALA 114 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2or3 h ALA 114 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2or3 h ALA 114 CO -0.03 0.09 0.00 0.72 0.00 0.00 0.00 179.25 180.03 2or3 n HIS 115 N -4.50 0.75 -3.61 0.00 8.25 -0.74 -4.97 115.22 110.40 2or3 n HIS 115 Ca 0.13 -0.39 -0.20 0.00 -0.26 0.00 0.00 57.72 56.99 2or3 n HIS 115 Cb 0.31 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.47 2or3 n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2or3 n GLU 116 N 1.52 -5.70 -3.90 -0.41 1.02 -0.38 -4.94 120.64 107.86 2or3 n GLU 116 Ca 0.22 0.71 -0.35 0.00 -0.02 0.00 0.00 57.16 57.72 2or3 n GLU 116 Cb 0.60 -5.47 -0.09 0.00 -0.02 0.00 0.00 31.44 26.46 2or3 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2or3 s ILE 117 N -3.52 4.99 -0.86 -3.67 -1.09 -0.07 -4.54 121.20 112.43 2or3 s ILE 117 Ca 0.07 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2or3 s ILE 117 Cb -0.03 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2or3 s ILE 117 CO 0.78 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 175.54 2or3 n GLY 118 N 3.62 0.71 3.64 6.18 0.00 -1.26 -4.66 105.19 113.42 2or3 n GLY 118 Ca -0.16 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 2or3 n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2or3 n PHE 119 N -3.16 1.83 -0.05 1.61 0.99 -1.26 -1.54 117.46 115.88 2or3 n PHE 119 Ca -0.09 0.58 0.00 0.00 -0.00 0.00 0.00 57.45 57.93 2or3 n PHE 119 Cb 0.38 -2.36 0.00 0.00 -1.00 0.00 0.00 39.48 36.49 2or3 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2or3 n GLY 120 N 1.48 0.74 3.79 1.37 0.00 -0.10 -5.02 105.19 107.45 2or3 n GLY 120 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2or3 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2or3 s SER 121 N -2.60 5.60 -0.05 1.61 0.01 -0.59 -4.58 113.70 113.10 2or3 s SER 121 Ca 0.00 1.96 -0.30 0.00 1.31 0.00 0.00 55.95 58.92 2or3 s SER 121 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2or3 s SER 121 CO 0.00 -1.29 1.15 -0.54 0.41 0.00 0.00 173.24 172.96 2or3 s LYS 122 N -3.83 4.39 0.05 12.44 1.02 -1.26 -1.03 119.74 131.52 2or3 s LYS 122 Ca 0.67 1.61 -0.00 0.00 0.02 0.00 0.00 55.97 58.26 2or3 s LYS 122 Cb -0.19 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2or3 s LYS 122 CO 0.35 -0.37 -0.03 0.14 -0.92 0.00 0.00 175.35 174.51 2or3 s VAL 123 N 1.95 0.25 0.33 3.17 -7.23 -0.11 -4.45 120.40 114.30 2or3 s VAL 123 Ca 0.54 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.14 2or3 s VAL 123 Cb -0.24 -1.29 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 2or3 s VAL 123 CO 0.22 -0.88 -0.03 0.28 -0.31 0.00 0.00 175.10 174.38 2or3 s THR 124 N -3.39 1.79 0.33 5.32 -1.32 -1.26 -0.45 115.64 116.66 2or3 s THR 124 Ca 0.03 -2.10 -0.06 0.00 -1.21 0.00 0.00 61.69 58.35 2or3 s THR 124 Cb 0.04 -2.68 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 2or3 s THR 124 CO -0.08 -0.16 0.52 0.42 -2.21 0.00 0.00 174.62 173.11 2or3 s THR 125 N -2.90 0.00 0.47 5.08 -4.23 -1.26 -4.20 115.64 108.60 2or3 s THR 125 Ca 0.33 -1.48 -0.24 0.00 -1.18 0.00 0.00 61.69 59.11 2or3 s THR 125 Cb 0.06 -2.61 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 2or3 s THR 125 CO 0.15 0.00 1.32 1.57 -0.54 0.00 0.00 174.62 177.12 2or3 n HIS 126 N -0.53 2.27 -0.33 3.99 -0.00 -0.46 -4.56 115.22 115.61 2or3 n HIS 126 Ca -0.01 0.46 0.20 0.00 0.46 0.00 0.00 57.72 58.83 2or3 n HIS 126 Cb 0.61 -2.39 0.44 0.00 -0.12 0.00 0.00 29.99 28.54 2or3 n HIS 126 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2or3 h PRO 127 N 1.91 0.49 0.00 1.57 0.11 -1.92 -0.05 132.00 134.11 2or3 h PRO 127 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2or3 h PRO 127 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2or3 h PRO 127 CO 0.59 0.33 0.00 1.28 -0.21 0.00 0.00 178.00 179.99 2or3 n LEU 128 N -4.72 0.00 -0.75 2.35 4.77 -1.26 -2.64 117.00 114.74 2or3 n LEU 128 Ca 0.25 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.75 2or3 n LEU 128 Cb 0.78 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2or3 n LEU 128 CO 0.22 -0.08 0.52 0.00 -1.33 0.00 0.00 177.39 176.73 2or3 n ALA 129 N -1.41 2.63 -0.07 -1.18 0.00 -0.05 -4.61 120.51 115.82 2or3 n ALA 129 Ca 0.08 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 2or3 n ALA 129 Cb 0.24 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2or3 n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2or3 h LYS 130 N 3.69 0.34 -0.80 0.00 3.64 -1.35 -1.24 116.57 120.85 2or3 h LYS 130 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2or3 h LYS 130 Cb 0.82 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 2or3 h LYS 130 CO 0.00 0.26 0.48 -0.44 -2.27 0.00 0.00 179.45 177.48 2or3 h ASP 131 N 0.31 0.96 -0.35 4.20 5.19 -1.81 -0.37 116.42 124.55 2or3 h ASP 131 Ca 0.09 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2or3 h ASP 131 Cb 0.01 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 2or3 h ASP 131 CO -0.02 0.75 0.09 0.50 -3.12 0.00 0.00 179.24 177.44 2or3 h LYS 132 N 1.10 0.55 -0.47 3.56 3.64 -1.83 -2.74 116.57 120.37 2or3 h LYS 132 Ca 0.29 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2or3 h LYS 132 Cb -0.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2or3 h LYS 132 CO -0.05 0.59 0.17 1.98 -2.27 0.00 0.00 179.45 179.87 2or3 h MET 133 N 0.41 0.68 -0.02 1.90 4.05 -0.58 -2.80 114.93 118.57 2or3 h MET 133 Ca 0.11 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2or3 h MET 133 Cb 0.28 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2or3 h MET 133 CO -0.00 0.58 0.00 -1.33 0.23 0.00 0.00 176.91 176.39 2or3 n MET 134 N -4.34 1.50 -1.84 0.39 2.81 -0.21 -4.72 117.12 110.70 2or3 n MET 134 Ca 0.03 -0.72 -0.42 0.00 -1.81 0.00 0.00 57.70 54.78 2or3 n MET 134 Cb 0.17 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 2or3 n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2or3 s ASN 135 N -1.95 6.30 0.00 7.83 2.47 -1.05 -1.05 114.94 127.49 2or3 s ASN 135 Ca 0.40 2.18 0.00 0.00 0.42 0.00 0.00 52.86 55.85 2or3 s ASN 135 Cb 0.21 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 2or3 s ASN 135 CO 0.33 -1.24 0.00 0.61 -3.72 0.00 0.00 177.10 173.08 2or3 n GLY 136 N 4.70 0.67 2.61 1.21 0.00 -1.26 -4.51 105.19 108.61 2or3 n GLY 136 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 2or3 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2or3 n GLY 137 N -2.00 -0.11 0.71 -0.02 0.00 -0.22 -4.90 105.19 98.66 2or3 n GLY 137 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2or3 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2or3 n HIS 138 N -4.09 0.27 -4.10 1.61 8.25 -1.26 -4.86 115.22 111.03 2or3 n HIS 138 Ca -0.07 -0.13 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 2or3 n HIS 138 Cb 0.58 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 2or3 n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2or3 s TYR 139 N -1.73 0.77 0.17 4.41 1.51 -1.26 -0.93 117.35 120.30 2or3 s TYR 139 Ca 0.34 -1.08 0.07 0.00 -1.01 0.00 0.00 57.07 55.39 2or3 s TYR 139 Cb 0.19 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 2or3 s TYR 139 CO 0.28 -0.74 0.00 0.95 -1.11 0.00 0.00 175.55 174.94 2or3 s THR 140 N -4.07 3.75 -0.05 -0.71 -4.23 -0.19 -4.95 115.64 105.18 2or3 s THR 140 Ca 0.29 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 59.36 2or3 s THR 140 Cb 0.04 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 2or3 s THR 140 CO 0.08 -0.11 0.11 -0.47 -0.54 0.00 0.00 174.62 173.69 2or3 s TYR 141 N -1.73 3.42 0.04 3.99 5.04 -1.26 -0.94 117.35 125.90 2or3 s TYR 141 Ca 0.28 0.33 0.06 0.00 -2.44 0.00 0.00 57.07 55.30 2or3 s TYR 141 Cb -0.09 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 2or3 s TYR 141 CO 0.19 0.61 -0.19 0.45 -1.34 0.00 0.00 175.55 175.28 2or3 s SER 142 N -1.48 2.21 0.00 4.32 0.15 0.40 -4.85 113.70 114.44 2or3 s SER 142 Ca 0.21 -0.49 0.25 0.00 0.70 0.00 0.00 55.95 56.61 2or3 s SER 142 Cb -0.12 -0.18 0.67 0.00 -1.71 0.00 0.00 66.02 64.68 2or3 s SER 142 CO 0.11 0.13 1.52 -0.62 1.20 0.00 0.00 173.24 175.58 2or3 n GLU 143 N 1.91 1.98 -1.90 5.44 -0.58 -1.26 -4.29 120.64 121.94 2or3 n GLU 143 Ca -0.17 -1.44 -0.37 0.00 -0.42 0.00 0.00 57.16 54.76 2or3 n GLU 143 Cb 0.54 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 29.99 2or3 n GLU 143 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2or3 s ASN 144 N -1.82 5.15 0.29 1.62 0.01 -1.26 -4.92 114.94 114.01 2or3 s ASN 144 Ca 0.34 2.56 0.04 0.00 -0.71 0.00 0.00 52.86 55.09 2or3 s ASN 144 Cb 0.20 -2.62 0.45 0.00 0.41 0.00 0.00 41.25 39.70 2or3 s ASN 144 CO 0.31 -1.63 1.73 0.03 -1.51 0.00 0.00 177.10 176.03 2or3 h ARG 145 N 1.07 0.41 -4.48 -0.60 3.08 -1.94 -3.39 114.38 108.53 2or3 h ARG 145 Ca -0.51 -0.16 -0.49 0.00 0.07 0.00 0.00 59.98 58.90 2or3 h ARG 145 Cb 1.30 -0.02 -0.33 0.00 0.08 0.00 0.00 29.97 31.00 2or3 h ARG 145 CO 0.56 0.65 -0.81 0.08 -1.07 0.00 0.00 179.97 179.38 2or3 s VAL 146 N -4.45 1.01 0.02 2.04 1.01 -1.26 -3.08 120.40 115.70 2or3 s VAL 146 Ca -0.06 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2or3 s VAL 146 Cb 0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2or3 s VAL 146 CO 0.78 0.32 -0.18 -0.70 0.00 0.00 0.00 175.10 175.33 2or3 s GLU 147 N 0.65 2.13 -0.04 2.72 2.56 -0.02 -5.00 118.70 121.71 2or3 s GLU 147 Ca -0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 54.97 53.88 2or3 s GLU 147 Cb -0.15 -2.20 0.03 0.00 2.00 0.00 0.00 34.13 33.81 2or3 s GLU 147 CO 0.03 0.55 0.05 0.21 -0.56 0.00 0.00 175.26 175.54 2or3 s LYS 148 N -1.29 0.04 -0.36 4.30 2.20 -1.26 -0.84 119.74 122.52 2or3 s LYS 148 Ca 0.14 0.33 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 2or3 s LYS 148 Cb -0.10 -0.57 0.11 0.00 -1.51 0.00 0.00 37.83 35.75 2or3 s LYS 148 CO 0.04 -0.32 0.11 0.34 -0.36 0.00 0.00 175.35 175.16 2or3 s ASP 149 N 2.08 4.40 1.96 1.43 -1.08 -0.22 -5.01 116.67 120.23 2or3 s ASP 149 Ca 0.04 -2.16 0.00 0.00 -0.52 0.00 0.00 52.55 49.92 2or3 s ASP 149 Cb -0.12 -1.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.98 2or3 s ASP 149 CO -0.03 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 175.90 2or3 n GLY 150 N 4.22 4.04 1.44 2.66 0.00 -1.26 -2.02 105.19 114.27 2or3 n GLY 150 Ca 0.03 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.17 2or3 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2or3 n LEU 151 N 0.00 4.24 -4.24 0.99 4.77 -1.26 -4.74 117.00 116.75 2or3 n LEU 151 Ca 0.00 -2.14 -0.37 0.00 -0.03 0.00 0.00 56.01 53.47 2or3 n LEU 151 Cb 0.00 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.41 2or3 n LEU 151 CO 0.00 0.66 -0.29 -0.63 -1.33 0.00 0.00 177.39 175.80 2or3 s ILE 152 N -1.93 3.50 -0.19 -0.08 -1.09 -0.85 -1.36 121.20 119.19 2or3 s ILE 152 Ca 0.43 -1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 57.65 2or3 s ILE 152 Cb 0.29 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 2or3 s ILE 152 CO 0.19 -0.13 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.42 2or3 s LEU 153 N 1.35 2.51 0.20 2.97 0.20 -0.31 -1.06 118.68 124.54 2or3 s LEU 153 Ca -0.03 -0.50 0.04 0.00 0.69 0.00 0.00 54.13 54.33 2or3 s LEU 153 Cb -0.19 -1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 2or3 s LEU 153 CO 0.01 0.02 -0.04 0.42 -0.29 0.00 0.00 176.35 176.47 2or3 s THR 154 N 1.22 1.09 0.30 3.68 -4.23 -0.02 -1.03 115.64 116.66 2or3 s THR 154 Ca 0.02 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.32 2or3 s THR 154 Cb -0.14 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2or3 s THR 154 CO -0.06 -0.50 0.66 -0.55 -0.54 0.00 0.00 174.62 173.63 2or3 s SER 155 N -3.25 -0.07 -0.18 3.99 0.15 -0.87 -0.84 113.70 112.63 2or3 s SER 155 Ca 0.24 -0.87 0.10 0.00 0.70 0.00 0.00 55.95 56.11 2or3 s SER 155 Cb 0.04 0.72 -0.18 0.00 -1.71 0.00 0.00 66.02 64.89 2or3 s SER 155 CO 0.05 -1.38 -0.03 0.54 1.20 0.00 0.00 173.24 173.63 2or3 n ARG 156 N -0.47 1.02 -3.73 5.44 1.74 -1.18 -1.06 116.66 118.43 2or3 n ARG 156 Ca -0.04 0.04 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2or3 n ARG 156 Cb 0.60 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.63 2or3 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2or3 n GLY 157 N 2.15 0.45 0.35 -0.13 0.00 -1.26 -2.36 105.19 104.40 2or3 n GLY 157 Ca -0.31 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 44.74 2or3 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2or3 h PRO 158 N 0.00 0.80 0.00 1.61 0.11 -1.98 -0.77 132.00 131.77 2or3 h PRO 158 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2or3 h PRO 158 Cb 1.08 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2or3 h PRO 158 CO 0.31 0.53 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 2or3 n GLY 159 N -1.33 -1.06 0.86 -0.55 0.00 -1.26 -1.86 105.19 99.99 2or3 n GLY 159 Ca 0.21 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2or3 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2or3 n THR 160 N -1.22 0.71 -0.12 2.61 -2.24 -0.31 -4.74 114.28 108.97 2or3 n THR 160 Ca 0.14 -0.86 -0.07 0.00 -2.27 0.00 0.00 64.05 60.99 2or3 n THR 160 Cb 0.18 0.74 0.10 0.00 -2.10 0.00 0.00 70.33 69.25 2or3 n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2or3 h SER 161 N 3.06 0.84 -0.28 3.42 0.02 -1.18 0.21 113.55 119.63 2or3 h SER 161 Ca 0.00 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2or3 h SER 161 Cb 0.80 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2or3 h SER 161 CO 0.00 0.96 0.11 -0.26 -1.14 0.00 0.00 176.83 176.50 2or3 h PHE 162 N 0.77 0.43 -0.43 3.45 -1.00 -1.85 -0.13 116.94 118.18 2or3 h PHE 162 Ca 0.13 -0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.91 2or3 h PHE 162 Cb 0.60 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.00 2or3 h PHE 162 CO 0.03 0.43 0.23 0.93 -1.61 0.00 0.00 178.31 178.32 2or3 h GLU 163 N 0.31 0.44 -0.22 1.51 5.08 -1.82 0.18 114.58 120.07 2or3 h GLU 163 Ca 0.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2or3 h GLU 163 Cb 0.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2or3 h GLU 163 CO -0.01 0.29 0.13 0.35 -1.00 0.00 0.00 179.01 178.78 2or3 h PHE 164 N 0.46 0.28 -0.49 4.33 3.57 -0.87 -0.86 116.94 123.37 2or3 h PHE 164 Ca 0.18 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2or3 h PHE 164 Cb 0.07 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2or3 h PHE 164 CO -0.09 0.21 0.23 0.00 -2.23 0.00 0.00 178.31 176.42 2or3 h ALA 165 N 1.05 0.63 -0.24 2.41 0.00 -0.74 -1.70 119.26 120.67 2or3 h ALA 165 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2or3 h ALA 165 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2or3 h ALA 165 CO -0.02 0.20 -0.20 -0.07 0.00 0.00 0.00 179.25 179.16 2or3 h LEU 166 N 0.64 0.42 -0.82 0.00 3.38 -0.85 -1.08 115.31 117.01 2or3 h LEU 166 Ca 0.17 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2or3 h LEU 166 Cb 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2or3 h LEU 166 CO -0.02 0.64 0.28 0.00 0.09 0.00 0.00 178.44 179.43 2or3 h ALA 167 N 1.40 1.05 -0.15 1.53 0.00 -0.73 0.10 119.26 122.46 2or3 h ALA 167 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2or3 h ALA 167 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2or3 h ALA 167 CO 0.04 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.83 2or3 h ILE 168 N 1.12 1.16 -0.47 0.00 2.04 -0.83 -0.76 117.51 119.77 2or3 h ILE 168 Ca 0.25 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2or3 h ILE 168 Cb 0.25 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 2or3 h ILE 168 CO -0.02 0.15 0.18 0.58 0.00 0.00 0.00 178.15 179.04 2or3 h VAL 169 N 0.08 0.87 -0.25 1.67 2.07 -0.95 -1.32 116.25 118.42 2or3 h VAL 169 Ca 0.05 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2or3 h VAL 169 Cb 0.18 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2or3 h VAL 169 CO -0.00 0.07 0.01 -0.33 0.02 0.00 0.00 177.57 177.33 2or3 h GLU 170 N 0.36 0.09 -0.91 1.57 5.08 -0.67 0.23 114.58 120.34 2or3 h GLU 170 Ca 0.22 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2or3 h GLU 170 Cb 0.21 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2or3 h GLU 170 CO -0.21 0.06 0.60 0.00 -1.00 0.00 0.00 179.01 178.45 2or3 h ALA 171 N 1.21 1.41 0.08 3.43 0.00 -0.54 0.90 119.26 125.76 2or3 h ALA 171 Ca 0.12 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2or3 h ALA 171 Cb 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2or3 h ALA 171 CO -0.19 0.51 -1.00 -0.07 0.00 0.00 0.00 179.25 178.50 2or3 h LEU 172 N 1.16 0.28 -0.67 0.00 4.07 -0.92 -3.42 115.31 115.80 2or3 h LEU 172 Ca 0.36 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2or3 h LEU 172 Cb -0.01 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2or3 h LEU 172 CO -0.10 1.44 -0.03 0.59 -1.08 0.00 0.00 178.44 179.26 2or3 n ASN 173 N -4.17 0.75 0.00 -0.43 3.02 0.79 -5.01 115.26 110.22 2or3 n ASN 173 Ca -0.21 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2or3 n ASN 173 Cb 0.78 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 2or3 n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2or3 n GLY 174 N 0.45 0.24 0.21 7.41 0.00 0.31 -4.43 105.19 109.38 2or3 n GLY 174 Ca 0.01 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 2or3 n GLY 174 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2or3 h LYS 175 N 0.00 0.70 -0.43 1.61 3.64 -1.90 -2.77 116.57 117.42 2or3 h LYS 175 Ca 0.00 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 2or3 h LYS 175 Cb 0.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2or3 h LYS 175 CO 0.00 1.04 0.02 1.49 -2.27 0.00 0.00 179.45 179.73 2or3 h GLU 176 N 0.43 0.74 -0.59 1.90 4.57 -1.97 0.13 114.58 119.79 2or3 h GLU 176 Ca 0.02 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2or3 h GLU 176 Cb 0.97 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 2or3 h GLU 176 CO 0.09 0.81 0.35 0.28 -1.18 0.00 0.00 179.01 179.36 2or3 h VAL 177 N 0.59 1.18 -0.65 0.32 2.07 -1.77 0.85 116.25 118.83 2or3 h VAL 177 Ca 0.12 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2or3 h VAL 177 Cb 0.46 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2or3 h VAL 177 CO 0.02 0.18 0.38 0.00 0.02 0.00 0.00 177.57 178.17 2or3 h ALA 178 N 1.18 0.84 -0.70 1.67 0.00 -1.18 -0.72 119.26 120.35 2or3 h ALA 178 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2or3 h ALA 178 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2or3 h ALA 178 CO -0.04 0.33 0.23 0.00 0.00 0.00 0.00 179.25 179.77 2or3 h ALA 179 N 1.19 0.92 -0.31 0.00 0.00 -0.48 -0.33 119.26 120.24 2or3 h ALA 179 Ca 0.23 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2or3 h ALA 179 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2or3 h ALA 179 CO -0.04 0.59 -0.28 1.96 0.00 0.00 0.00 179.25 181.47 2or3 h GLN 180 N 1.02 0.64 -0.39 0.00 4.20 -0.40 -2.29 115.11 117.90 2or3 h GLN 180 Ca 0.23 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 2or3 h GLN 180 Cb 0.29 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2or3 h GLN 180 CO -0.01 0.86 -0.29 0.28 -0.67 0.00 0.00 178.83 178.99 2or3 h VAL 181 N 0.56 1.28 -0.61 -0.54 2.07 -0.97 -3.29 116.25 114.74 2or3 h VAL 181 Ca 0.07 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 2or3 h VAL 181 Cb 0.77 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2or3 h VAL 181 CO 0.06 0.48 0.28 0.50 0.02 0.00 0.00 177.57 178.92 2or3 h LYS 182 N 0.72 0.90 -0.40 1.57 3.64 -0.78 -3.33 116.57 118.88 2or3 h LYS 182 Ca 0.08 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2or3 h LYS 182 Cb 0.85 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2or3 h LYS 182 CO 0.07 0.73 0.21 0.00 -2.27 0.00 0.00 179.45 178.19 2or3 h ALA 183 N 1.12 0.52 0.00 5.00 0.00 -1.48 -1.39 119.26 123.02 2or3 h ALA 183 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2or3 h ALA 183 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2or3 h ALA 183 CO -0.02 0.06 0.00 -2.30 0.00 0.00 0.00 179.25 176.99 2or3 n PRO 184 N -4.71 0.16 0.23 0.00 -0.02 -1.25 -3.02 135.00 126.40 2or3 n PRO 184 Ca 0.00 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 2or3 n PRO 184 Cb 0.09 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.54 2or3 n PRO 184 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2or3 h LEU 185 N 0.00 0.00 -1.17 2.45 3.38 -1.39 -3.47 115.31 115.11 2or3 h LEU 185 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2or3 h LEU 185 Cb 0.17 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.06 2or3 h LEU 185 CO 0.00 0.15 -0.67 0.52 0.09 0.00 0.00 178.44 178.53 2or3 n VAL 186 N -3.26 -3.90 -1.54 1.22 0.31 -1.17 -5.01 118.33 104.98 2or3 n VAL 186 Ca 0.01 -0.18 -0.32 0.00 -0.01 0.00 0.00 64.34 63.84 2or3 n VAL 186 Cb 0.42 -4.23 0.06 0.00 -0.91 0.00 0.00 33.84 29.19 2or3 n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2or3 s LEU 187 N -6.61 3.22 0.00 7.52 1.43 -1.26 -5.19 118.68 117.80 2or3 s LEU 187 Ca 0.34 1.89 0.24 0.00 -1.03 0.00 0.00 54.13 55.57 2or3 s LEU 187 Cb -0.15 -4.53 0.27 0.00 0.03 0.00 0.00 46.19 41.81 2or3 s LEU 187 CO 0.69 -1.77 1.31 1.17 0.23 0.00 0.00 176.35 177.97