#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 5.90 0.80 0.00 0.01 -1.26 -5.01 113.70 114.14 2or3 s SER 3 Ca 0.00 2.66 -0.11 0.00 1.31 0.00 0.00 55.95 59.81 2or3 s SER 3 Cb 0.00 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.67 2or3 s SER 3 CO 0.00 -1.13 1.09 -0.54 0.41 0.00 0.00 173.24 173.07 2or3 s LYS 4 N -2.56 2.06 -0.02 12.44 -0.14 -1.26 -4.84 119.74 125.42 2or3 s LYS 4 Ca 0.63 0.96 0.03 0.00 -1.36 0.00 0.00 55.97 56.23 2or3 s LYS 4 Cb -0.38 -1.89 -0.00 0.00 -1.68 0.00 0.00 37.83 33.88 2or3 s LYS 4 CO 0.47 -1.72 -0.11 1.03 -0.76 0.00 0.00 175.35 174.26 2or3 s ARG 5 N -4.97 1.06 -0.01 1.68 0.52 -1.26 -0.88 118.95 115.07 2or3 s ARG 5 Ca 0.61 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.50 2or3 s ARG 5 Cb -0.16 -0.98 -0.01 0.00 0.52 0.00 0.00 34.95 34.31 2or3 s ARG 5 CO 0.56 0.17 -0.17 0.00 0.02 0.00 0.00 175.30 175.87 2or3 s ALA 6 N 0.04 1.45 -0.19 2.13 0.00 -0.14 -0.44 121.76 124.61 2or3 s ALA 6 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 2or3 s ALA 6 Cb -0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2or3 s ALA 6 CO 0.00 0.35 -0.01 -1.17 0.00 0.00 0.00 175.76 174.94 2or3 s LEU 7 N -0.39 3.25 -0.23 0.00 2.96 -0.35 -0.35 118.68 123.57 2or3 s LEU 7 Ca 0.06 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2or3 s LEU 7 Cb -0.07 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.82 2or3 s LEU 7 CO -0.01 0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.33 2or3 s VAL 8 N 0.89 2.87 -0.25 1.68 1.01 -0.12 -0.12 120.40 126.36 2or3 s VAL 8 Ca 0.01 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2or3 s VAL 8 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2or3 s VAL 8 CO 0.02 0.33 0.49 -0.63 0.00 0.00 0.00 175.10 175.31 2or3 s ILE 9 N 1.36 5.10 -0.35 2.22 1.01 -0.97 -1.03 121.20 128.55 2or3 s ILE 9 Ca 0.03 0.84 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 2or3 s ILE 9 Cb -0.15 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.58 2or3 s ILE 9 CO -0.06 0.12 0.10 -0.22 0.00 0.00 0.00 174.94 174.88 2or3 s LEU 10 N 2.08 4.48 0.16 2.97 2.96 0.34 -4.43 118.68 127.25 2or3 s LEU 10 Ca 0.21 -1.51 0.05 0.00 -0.22 0.00 0.00 54.13 52.66 2or3 s LEU 10 Cb -0.16 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2or3 s LEU 10 CO 0.09 -0.38 0.13 0.00 -1.32 0.00 0.00 176.35 174.87 2or3 s ALA 11 N 1.25 3.55 0.17 5.97 0.00 -1.26 -1.70 121.76 129.74 2or3 s ALA 11 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 51.96 50.41 2or3 s ALA 11 Cb -0.21 -1.35 -0.15 0.00 0.00 0.00 0.00 23.12 21.42 2or3 s ALA 11 CO -0.01 0.51 1.39 1.17 0.00 0.00 0.00 175.76 178.81 2or3 n LYS 12 N -0.32 1.70 -0.71 0.00 4.81 -1.26 -1.33 118.16 121.05 2or3 n LYS 12 Ca -0.08 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 2or3 n LYS 12 Cb 0.55 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.34 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 2.53 0.78 3.74 3.14 0.00 -0.44 -2.96 105.19 111.98 2or3 n GLY 13 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.91 2.38 -0.31 4.61 0.00 -0.44 -2.31 121.76 122.77 2or3 s ALA 14 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2or3 s ALA 14 Cb 0.00 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 2or3 s ALA 14 CO 0.00 -1.53 1.45 -2.00 0.00 0.00 0.00 175.76 173.68 2or3 s GLU 15 N -3.46 3.74 0.32 0.00 -6.30 -0.07 -0.45 118.70 112.48 2or3 s GLU 15 Ca 0.80 1.28 0.06 0.00 -2.50 0.00 0.00 54.97 54.61 2or3 s GLU 15 Cb -0.34 -3.98 0.54 0.00 0.00 0.00 0.00 34.13 30.34 2or3 s GLU 15 CO 0.39 -1.35 1.78 1.05 0.02 0.00 0.00 175.26 177.15 2or3 h GLU 16 N 10.33 0.33 -0.46 4.30 9.09 -1.91 -1.76 114.58 134.50 2or3 h GLU 16 Ca -0.29 -0.12 -0.08 0.00 0.05 0.00 0.00 59.36 58.92 2or3 h GLU 16 Cb 1.12 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 2or3 h GLU 16 CO 1.04 0.57 -0.04 0.52 0.05 0.00 0.00 179.01 181.15 2or3 h MET 17 N 0.30 0.84 0.00 1.06 2.86 -1.99 -0.50 114.93 117.50 2or3 h MET 17 Ca 0.05 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2or3 h MET 17 Cb 0.62 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2or3 h MET 17 CO 0.04 0.91 0.00 0.39 1.06 0.00 0.00 176.91 179.32 2or3 n GLU 18 N -4.33 0.11 -0.07 1.72 1.02 -0.98 -1.34 120.64 116.78 2or3 n GLU 18 Ca 0.00 0.29 -0.06 0.00 -0.02 0.00 0.00 57.16 57.37 2or3 n GLU 18 Cb 0.34 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 2or3 n GLU 18 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2or3 h THR 19 N 0.00 0.37 -0.31 2.62 2.02 -1.14 -3.39 112.91 113.07 2or3 h THR 19 Ca 0.00 -1.34 -0.16 0.00 0.77 0.00 0.00 66.41 65.68 2or3 h THR 19 Cb 0.38 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2or3 h THR 19 CO 0.00 0.12 -0.43 0.58 0.37 0.00 0.00 175.52 176.16 2or3 h VAL 20 N -1.00 1.29 0.12 3.16 2.07 -1.01 -2.64 116.25 118.24 2or3 h VAL 20 Ca -0.05 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2or3 h VAL 20 Cb 0.48 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2or3 h VAL 20 CO -0.03 0.53 -0.06 0.40 0.02 0.00 0.00 177.57 178.43 2or3 h ILE 21 N 0.63 0.91 -0.74 4.57 2.04 -1.44 -0.17 117.51 123.31 2or3 h ILE 21 Ca 0.04 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 2or3 h ILE 21 Cb 1.00 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2or3 h ILE 21 CO 0.10 0.03 0.28 -0.65 0.00 0.00 0.00 178.15 177.91 2or3 h PRO 22 N -0.22 1.10 -0.16 2.37 0.11 -1.76 -0.95 132.00 132.50 2or3 h PRO 22 Ca -0.02 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 65.91 2or3 h PRO 22 Cb 0.18 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2or3 h PRO 22 CO 0.03 0.90 0.05 0.28 -0.21 0.00 0.00 178.00 179.05 2or3 h VAL 23 N 1.08 0.95 0.01 3.15 2.07 -1.22 -0.27 116.25 122.02 2or3 h VAL 23 Ca 0.25 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2or3 h VAL 23 Cb 0.22 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2or3 h VAL 23 CO -0.02 0.02 -0.00 -0.78 0.02 0.00 0.00 177.57 176.81 2or3 h ASP 24 N 0.12 -0.01 -0.64 0.57 1.82 -0.85 -1.23 116.42 116.20 2or3 h ASP 24 Ca 0.07 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 2or3 h ASP 24 Cb 0.05 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 2or3 h ASP 24 CO -0.08 0.34 0.42 0.58 -1.61 0.00 0.00 179.24 178.89 2or3 h VAL 25 N -0.36 1.17 -0.67 2.25 2.07 -1.15 0.32 116.25 119.87 2or3 h VAL 25 Ca -0.00 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2or3 h VAL 25 Cb 0.35 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2or3 h VAL 25 CO 0.00 0.17 0.23 0.24 0.02 0.00 0.00 177.57 178.23 2or3 h MET 26 N 0.87 1.03 -0.34 1.57 2.86 -0.99 -2.22 114.93 117.72 2or3 h MET 26 Ca 0.23 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2or3 h MET 26 Cb -0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 2or3 h MET 26 CO -0.05 0.89 -0.05 0.00 1.06 0.00 0.00 176.91 178.76 2or3 h ARG 27 N 0.97 0.55 -0.12 1.72 3.08 -0.61 -1.53 114.38 118.44 2or3 h ARG 27 Ca 0.22 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2or3 h ARG 27 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2or3 h ARG 27 CO -0.01 0.62 0.08 0.00 -1.07 0.00 0.00 179.97 179.59 2or3 h ARG 28 N 0.52 0.15 -0.02 0.04 3.08 -0.47 -1.26 114.38 116.43 2or3 h ARG 28 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2or3 h ARG 28 Cb 0.41 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2or3 h ARG 28 CO 0.02 0.10 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 2or3 n ALA 29 N -2.52 2.63 -0.74 0.04 0.00 -0.63 -4.91 120.51 114.37 2or3 n ALA 29 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2or3 n ALA 29 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.00 0.63 3.75 0.00 0.00 -0.47 -5.05 105.19 105.04 2or3 n GLY 30 Ca 0.20 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 3.95 -0.36 -0.61 1.01 -0.87 -4.53 121.20 117.79 2or3 s ILE 31 Ca 0.00 1.86 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 2or3 s ILE 31 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.29 2or3 s ILE 31 CO 0.00 0.40 0.85 -0.54 0.00 0.00 0.00 174.94 175.65 2or3 s LYS 32 N -0.96 3.81 -0.18 2.79 -0.14 -0.06 -4.16 119.74 120.83 2or3 s LYS 32 Ca 0.44 0.46 -0.05 0.00 -1.36 0.00 0.00 55.97 55.46 2or3 s LYS 32 Cb -0.28 -3.80 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 2or3 s LYS 32 CO 0.34 -0.87 0.01 0.08 -0.76 0.00 0.00 175.35 174.15 2or3 s VAL 33 N 3.25 4.19 -0.29 3.17 1.01 -1.26 -0.96 120.40 129.50 2or3 s VAL 33 Ca 0.34 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2or3 s VAL 33 Cb -0.13 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2or3 s VAL 33 CO 0.17 0.46 0.13 -0.89 0.00 0.00 0.00 175.10 174.97 2or3 s THR 34 N 0.62 4.65 -0.51 3.92 2.01 0.53 -4.97 115.64 121.88 2or3 s THR 34 Ca -0.00 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 2or3 s THR 34 Cb -0.14 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.13 2or3 s THR 34 CO 0.02 0.18 0.81 -0.69 -0.69 0.00 0.00 174.62 174.25 2or3 s VAL 35 N 1.64 4.60 -0.19 3.82 1.01 -1.26 -0.95 120.40 129.08 2or3 s VAL 35 Ca 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2or3 s VAL 35 Cb -0.16 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2or3 s VAL 35 CO 0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 175.10 174.23 2or3 s ALA 36 N 3.39 2.95 -0.14 5.51 0.00 -0.19 -0.27 121.76 133.01 2or3 s ALA 36 Ca 0.26 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 2or3 s ALA 36 Cb -0.14 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2or3 s ALA 36 CO 0.18 -0.09 0.88 0.20 0.00 0.00 0.00 175.76 176.93 2or3 s GLY 37 N 0.90 2.24 0.24 0.00 0.00 -0.01 -0.51 107.32 110.18 2or3 s GLY 37 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 2or3 s GLY 37 CO 0.01 1.72 1.86 -2.00 0.00 0.00 0.00 173.10 174.69 2or3 h LEU 38 N 8.08 0.86 -2.36 0.66 5.85 -1.67 -0.62 115.31 126.12 2or3 h LEU 38 Ca -0.31 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2or3 h LEU 38 Cb 1.14 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2or3 h LEU 38 CO 0.84 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 179.49 2or3 n ALA 39 N -2.35 2.58 0.00 1.25 0.00 -1.26 -4.60 120.51 116.12 2or3 n ALA 39 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2or3 n ALA 39 Cb 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.33 0.52 0.67 0.00 0.00 -0.97 -4.77 105.19 101.98 2or3 n GLY 40 Ca 0.21 -2.22 0.09 0.00 0.00 0.00 0.00 46.02 44.09 2or3 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2or3 n LYS 41 N 0.00 1.86 -1.86 1.61 4.81 -1.26 -3.91 118.16 119.40 2or3 n LYS 41 Ca 0.00 -1.32 -0.33 0.00 -0.87 0.00 0.00 58.31 55.79 2or3 n LYS 41 Cb 0.00 -1.36 0.04 0.00 0.02 0.00 0.00 35.03 33.73 2or3 n LYS 41 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2or3 s ASP 42 N -1.28 5.25 0.51 3.14 1.01 -1.26 -4.53 116.67 119.50 2or3 s ASP 42 Ca 0.30 2.03 -0.21 0.00 0.71 0.00 0.00 52.55 55.37 2or3 s ASP 42 Cb 0.16 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.45 2or3 s ASP 42 CO 0.22 -1.54 0.97 -2.65 0.21 0.00 0.00 175.17 172.38 2or3 n PRO 43 N -2.19 1.13 -4.27 8.23 -0.02 -1.26 -4.48 135.00 132.14 2or3 n PRO 43 Ca 0.11 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 2or3 n PRO 43 Cb 0.52 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.41 2.66 -0.34 -1.45 1.01 -0.07 -4.94 120.40 115.86 2or3 s VAL 44 Ca 0.69 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2or3 s VAL 44 Cb -0.48 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2or3 s VAL 44 CO 0.53 0.50 0.85 -1.58 0.00 0.00 0.00 175.10 175.40 2or3 s GLN 45 N 1.10 3.89 0.85 2.72 0.74 -1.26 -1.63 119.66 126.06 2or3 s GLN 45 Ca 0.00 0.57 -0.08 0.00 0.05 0.00 0.00 55.36 55.90 2or3 s GLN 45 Cb -0.14 -3.77 0.17 0.00 1.10 0.00 0.00 33.01 30.37 2or3 s GLN 45 CO -0.04 -0.81 1.16 0.00 -0.55 0.00 0.00 175.29 175.05 2or3 h SER 47 N -1.10 0.70 -0.49 0.00 4.64 -0.86 -0.53 113.55 115.91 2or3 h SER 47 Ca -0.39 0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 60.64 2or3 h SER 47 Cb 1.25 -0.14 -0.18 0.00 -0.31 0.00 0.00 62.40 63.01 2or3 h SER 47 CO 0.37 0.44 -0.08 0.54 -0.87 0.00 0.00 176.83 177.22 2or3 n ARG 48 N -4.49 2.18 -0.98 4.77 3.00 -1.26 -4.97 116.66 114.92 2or3 n ARG 48 Ca 0.12 -3.35 0.00 0.00 -0.01 0.00 0.00 57.85 54.61 2or3 n ARG 48 Cb 0.25 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 30.77 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 -1.05 -4.07 -4.74 0.55 8.00 -0.21 -4.99 116.55 110.04 2or3 n ASP 49 Ca 0.39 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.47 2or3 n ASP 49 Cb 1.02 -1.92 -0.02 0.00 -0.02 0.00 0.00 41.12 40.18 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 -1.60 2.66 -0.21 2.53 1.01 -1.26 -4.69 120.40 118.84 2or3 s VAL 50 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 2or3 s VAL 50 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2or3 s VAL 50 CO 0.00 0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 174.45 2or3 s VAL 51 N 0.06 3.35 -0.10 2.92 1.01 -1.26 -0.57 120.40 125.82 2or3 s VAL 51 Ca 0.60 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2or3 s VAL 51 Cb -0.42 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2or3 s VAL 51 CO 0.43 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 175.15 2or3 s ILE 52 N 1.40 2.66 -0.32 2.22 1.01 -0.65 -4.91 121.20 122.62 2or3 s ILE 52 Ca 0.05 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 2or3 s ILE 52 Cb -0.14 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 2or3 s ILE 52 CO -0.03 0.55 0.66 0.00 0.00 0.00 0.00 174.94 176.12 2or3 s PRO 54 N 2.70 2.96 0.24 0.00 0.04 -1.26 -4.94 135.00 134.73 2or3 s PRO 54 Ca 0.27 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.38 2or3 s PRO 54 Cb -0.15 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.66 2or3 s PRO 54 CO 0.13 -1.09 1.56 -0.44 0.04 0.00 0.00 177.00 177.20 2or3 h ASP 55 N -0.52 0.21 -5.02 6.66 3.32 -1.01 -3.47 116.42 116.58 2or3 h ASP 55 Ca -0.44 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 2or3 h ASP 55 Cb 1.21 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 2or3 h ASP 55 CO 0.56 0.78 0.12 0.00 -1.72 0.00 0.00 179.24 178.99 2or3 s ALA 56 N -3.70 -1.41 0.59 3.45 0.00 -1.07 -5.00 121.76 114.63 2or3 s ALA 56 Ca -0.03 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 2or3 s ALA 56 Cb 0.12 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 2or3 s ALA 56 CO 0.79 -0.71 1.09 -1.54 0.00 0.00 0.00 175.76 175.40 2or3 s SER 57 N -2.67 5.60 0.37 0.00 1.04 -1.26 -0.83 113.70 115.95 2or3 s SER 57 Ca 0.01 1.99 0.06 0.00 0.48 0.00 0.00 55.95 58.48 2or3 s SER 57 Cb -0.00 -2.56 0.72 0.00 0.10 0.00 0.00 66.02 64.28 2or3 s SER 57 CO -0.11 -1.29 1.96 0.25 0.98 0.00 0.00 173.24 175.03 2or3 h LEU 58 N 0.64 0.49 -0.45 2.42 5.85 -1.37 0.11 115.31 123.00 2or3 h LEU 58 Ca -0.48 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.21 2or3 h LEU 58 Cb 1.24 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2or3 h LEU 58 CO 0.56 0.46 0.26 -0.08 -0.34 0.00 0.00 178.44 179.30 2or3 h GLU 59 N 0.54 0.50 -0.35 1.25 4.81 -1.88 0.43 114.58 119.88 2or3 h GLU 59 Ca 0.13 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2or3 h GLU 59 Cb 0.14 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2or3 h GLU 59 CO -0.01 0.33 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.93 2or3 h ASP 60 N 0.52 0.80 -0.58 1.04 3.32 -1.88 -3.12 116.42 116.51 2or3 h ASP 60 Ca 0.18 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2or3 h ASP 60 Cb 0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2or3 h ASP 60 CO -0.09 1.06 0.35 0.00 -1.72 0.00 0.00 179.24 178.84 2or3 h ALA 61 N 0.77 1.50 -0.52 3.45 0.00 -0.55 -0.98 119.26 122.92 2or3 h ALA 61 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2or3 h ALA 61 Cb 0.79 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2or3 h ALA 61 CO 0.06 0.43 0.23 -0.22 0.00 0.00 0.00 179.25 179.75 2or3 h LYS 62 N 0.82 0.42 -0.04 0.00 1.63 -0.87 -2.26 116.57 116.27 2or3 h LYS 62 Ca 0.21 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 2or3 h LYS 62 Cb -0.02 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2or3 h LYS 62 CO -0.04 0.28 -0.40 0.87 -3.45 0.00 0.00 179.45 176.71 2or3 h LYS 63 N 0.43 0.09 -0.01 1.90 1.57 -1.18 -2.69 116.57 116.69 2or3 h LYS 63 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2or3 h LYS 63 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2or3 h LYS 63 CO -0.21 0.48 -0.08 0.39 -0.57 0.00 0.00 179.45 179.45 2or3 n GLU 64 N -4.05 1.03 -0.20 3.15 1.02 -0.56 -4.90 120.64 116.14 2or3 n GLU 64 Ca -0.02 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 2or3 n GLU 64 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2or3 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2or3 n GLY 65 N 1.21 -0.17 3.57 0.62 0.00 -0.93 -4.93 105.19 104.56 2or3 n GLY 65 Ca 0.17 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 2or3 n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2or3 n PRO 66 N -0.71 -1.04 -4.30 1.61 -0.04 -1.26 -5.09 135.00 124.18 2or3 n PRO 66 Ca 0.00 -1.99 -0.22 0.00 -0.04 0.00 0.00 63.50 61.25 2or3 n PRO 66 Cb 0.00 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 2or3 n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2or3 s TYR 67 N -3.57 1.76 0.20 0.54 1.51 -1.26 -5.00 117.35 111.52 2or3 s TYR 67 Ca 0.69 -0.45 0.22 0.00 -1.01 0.00 0.00 57.07 56.52 2or3 s TYR 67 Cb -0.02 -0.93 0.89 0.00 -0.11 0.00 0.00 41.96 41.80 2or3 s TYR 67 CO 0.48 0.25 1.83 -0.44 -1.11 0.00 0.00 175.55 176.55 2or3 h ASP 68 N 3.72 0.00 -4.11 2.29 3.32 -1.13 -3.44 116.42 117.08 2or3 h ASP 68 Ca -0.44 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 2or3 h ASP 68 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 2or3 h ASP 68 CO 0.45 0.27 -0.40 0.54 -1.72 0.00 0.00 179.24 178.38 2or3 s VAL 69 N -3.74 0.02 -0.18 -1.35 0.11 -1.10 -3.18 120.40 110.98 2or3 s VAL 69 Ca -0.00 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2or3 s VAL 69 Cb 0.11 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2or3 s VAL 69 CO 0.65 -0.08 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.59 2or3 s VAL 70 N -0.22 3.42 -0.15 2.04 1.01 -0.81 -1.21 120.40 124.48 2or3 s VAL 70 Ca -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2or3 s VAL 70 Cb -0.03 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2or3 s VAL 70 CO 0.01 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 2or3 s VAL 71 N 0.90 3.26 -0.37 2.92 1.01 0.83 -0.88 120.40 128.07 2or3 s VAL 71 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2or3 s VAL 71 Cb -0.15 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 33.91 2or3 s VAL 71 CO 0.01 0.50 0.15 -0.76 0.00 0.00 0.00 175.10 175.00 2or3 s LEU 72 N 0.55 4.75 1.08 3.92 1.43 0.40 -2.28 118.68 128.53 2or3 s LEU 72 Ca -0.07 -1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 51.32 2or3 s LEU 72 Cb -0.15 -1.84 0.23 0.00 0.03 0.00 0.00 46.19 44.46 2or3 s LEU 72 CO 0.03 -0.44 1.06 -2.84 0.23 0.00 0.00 176.35 174.40 2or3 s PRO 73 N 1.27 -0.20 0.00 1.29 0.02 -1.26 -1.83 135.00 134.29 2or3 s PRO 73 Ca 0.02 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.76 2or3 s PRO 73 Cb -0.22 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2or3 s PRO 73 CO -0.01 -3.21 0.00 0.41 -0.33 0.00 0.00 177.00 173.86 2or3 n GLY 74 N -0.13 1.67 0.00 0.52 0.00 -1.01 -3.91 105.19 102.33 2or3 n GLY 74 Ca 0.04 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.41 0.43 -0.02 0.00 -1.26 -0.89 105.19 108.03 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 -1.54 -0.24 1.61 -1.24 -1.96 0.11 115.58 112.32 2or3 h ASN 76 Ca 0.00 0.18 -0.15 0.00 0.71 0.00 0.00 56.30 57.04 2or3 h ASN 76 Cb 0.00 0.59 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 2or3 h ASN 76 CO 0.00 -0.45 -0.41 0.25 -1.29 0.00 0.00 177.43 175.53 2or3 h LEU 77 N -0.56 0.84 -0.22 0.34 5.85 -1.87 -2.33 115.31 117.36 2or3 h LEU 77 Ca 0.02 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.37 2or3 h LEU 77 Cb 0.63 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2or3 h LEU 77 CO -0.37 1.14 0.08 1.23 -0.34 0.00 0.00 178.44 180.19 2or3 h GLY 78 N 0.89 0.27 1.11 3.75 0.00 -1.16 -0.43 103.07 107.51 2or3 h GLY 78 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2or3 h GLY 78 CO 0.09 0.04 0.40 0.00 0.00 0.00 0.00 176.54 177.07 2or3 h ALA 79 N 1.13 1.18 -0.52 3.60 0.00 -0.66 -0.77 119.26 123.21 2or3 h ALA 79 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2or3 h ALA 79 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2or3 h ALA 79 CO -0.09 0.63 0.25 0.37 0.00 0.00 0.00 179.25 180.41 2or3 h GLN 80 N 1.14 0.75 -0.59 0.00 4.15 -1.06 0.21 115.11 119.71 2or3 h GLN 80 Ca 0.28 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 2or3 h GLN 80 Cb 0.10 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2or3 h GLN 80 CO -0.04 0.62 0.13 -0.91 -1.93 0.00 0.00 178.83 176.71 2or3 h ASN 81 N 0.70 0.91 -1.00 -0.69 2.35 -0.56 -2.07 115.58 115.22 2or3 h ASN 81 Ca 0.18 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2or3 h ASN 81 Cb 0.12 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 2or3 h ASN 81 CO -0.02 0.92 0.66 -0.07 -1.65 0.00 0.00 177.43 177.27 2or3 h LEU 82 N 0.87 1.14 -1.77 1.61 3.38 -0.88 -2.69 115.31 116.96 2or3 h LEU 82 Ca 0.18 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2or3 h LEU 82 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2or3 h LEU 82 CO 0.00 0.82 -0.16 0.28 0.09 0.00 0.00 178.44 179.47 2or3 h SER 83 N 1.34 0.00 -0.57 -0.43 0.02 -0.38 -2.93 113.55 110.60 2or3 h SER 83 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2or3 h SER 83 Cb -0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2or3 h SER 83 CO -0.09 0.16 0.00 -0.62 -1.14 0.00 0.00 176.83 175.14 2or3 n GLU 84 N -3.79 2.63 -3.62 3.45 1.02 -0.83 -4.76 120.64 114.73 2or3 n GLU 84 Ca -0.02 -2.50 -0.38 0.00 -0.02 0.00 0.00 57.16 54.25 2or3 n GLU 84 Cb 0.26 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.23 5.81 0.35 1.62 0.15 -1.11 -4.96 113.70 114.33 2or3 s SER 85 Ca 0.44 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 57.02 2or3 s SER 85 Cb 0.24 -2.07 0.64 0.00 -1.71 0.00 0.00 66.02 63.12 2or3 s SER 85 CO 0.33 -0.08 1.87 0.00 1.20 0.00 0.00 173.24 176.56 2or3 h ALA 86 N 8.36 1.39 -0.63 5.45 0.00 -1.91 -1.65 119.26 130.25 2or3 h ALA 86 Ca -0.35 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2or3 h ALA 86 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2or3 h ALA 86 CO 0.57 0.42 0.10 0.00 0.00 0.00 0.00 179.25 180.34 2or3 h ALA 87 N 1.53 0.84 -0.68 0.00 0.00 -1.95 -0.24 119.26 118.75 2or3 h ALA 87 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2or3 h ALA 87 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2or3 h ALA 87 CO 0.02 0.60 0.30 0.28 0.00 0.00 0.00 179.25 180.44 2or3 h VAL 88 N 0.96 1.24 -0.46 0.00 2.07 -1.76 -1.72 116.25 116.58 2or3 h VAL 88 Ca 0.19 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 67.08 2or3 h VAL 88 Cb 0.43 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2or3 h VAL 88 CO 0.01 0.29 0.06 0.50 0.02 0.00 0.00 177.57 178.45 2or3 h LYS 89 N 0.96 0.18 -0.27 1.57 3.64 -0.84 -0.33 116.57 121.48 2or3 h LYS 89 Ca 0.23 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2or3 h LYS 89 Cb 0.17 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2or3 h LYS 89 CO -0.02 0.12 0.11 1.49 -2.27 0.00 0.00 179.45 178.87 2or3 h GLU 90 N 0.19 0.23 -0.45 1.90 4.81 -0.65 0.20 114.58 120.80 2or3 h GLU 90 Ca 0.23 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2or3 h GLU 90 Cb 0.31 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2or3 h GLU 90 CO -0.32 0.15 0.16 0.82 -0.73 0.00 0.00 179.01 179.09 2or3 h ILE 91 N 0.24 1.21 -0.43 2.32 2.04 -0.98 -1.34 117.51 120.57 2or3 h ILE 91 Ca 0.12 -0.68 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 2or3 h ILE 91 Cb 0.07 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2or3 h ILE 91 CO -0.11 0.25 -0.20 -0.07 0.00 0.00 0.00 178.15 178.02 2or3 h LEU 92 N 0.59 0.92 -0.72 1.44 3.38 -0.71 -1.51 115.31 118.70 2or3 h LEU 92 Ca 0.15 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2or3 h LEU 92 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2or3 h LEU 92 CO -0.01 1.11 0.31 0.11 0.09 0.00 0.00 178.44 180.06 2or3 h LYS 93 N 0.72 1.06 -0.75 1.13 1.79 -0.48 -1.02 116.57 119.03 2or3 h LYS 93 Ca 0.10 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 2or3 h LYS 93 Cb 0.76 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 2or3 h LYS 93 CO 0.06 0.86 0.35 1.49 -1.08 0.00 0.00 179.45 181.13 2or3 h GLU 94 N 1.02 1.09 -0.38 3.15 4.81 -1.15 -0.50 114.58 122.62 2or3 h GLU 94 Ca 0.24 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2or3 h GLU 94 Cb 0.17 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2or3 h GLU 94 CO -0.02 0.86 0.10 0.37 -0.73 0.00 0.00 179.01 179.58 2or3 h GLN 95 N 1.06 0.61 -0.41 1.92 5.75 -0.94 -1.55 115.11 121.56 2or3 h GLN 95 Ca 0.26 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2or3 h GLN 95 Cb 0.13 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2or3 h GLN 95 CO -0.03 0.64 0.25 1.49 -2.65 0.00 0.00 178.83 178.52 2or3 h GLU 96 N 0.48 0.48 -0.05 1.69 4.81 -1.07 -0.16 114.58 120.76 2or3 h GLU 96 Ca 0.12 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2or3 h GLU 96 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2or3 h GLU 96 CO 0.00 0.32 -0.34 -0.91 -0.73 0.00 0.00 179.01 177.35 2or3 h ASN 97 N 0.50 0.10 -0.26 1.04 2.35 -0.80 -2.45 115.58 116.06 2or3 h ASN 97 Ca 0.16 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2or3 h ASN 97 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2or3 h ASN 97 CO -0.07 0.44 0.00 -2.11 -1.65 0.00 0.00 177.43 174.03 2or3 n ARG 98 N -4.11 1.97 -3.30 0.81 1.85 -0.61 -4.93 116.66 108.34 2or3 n ARG 98 Ca -0.02 -1.47 -0.17 0.00 -1.00 0.00 0.00 57.85 55.19 2or3 n ARG 98 Cb 0.40 -1.41 0.07 0.00 -1.05 0.00 0.00 32.46 30.46 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 0.69 -6.03 -4.03 2.89 5.02 -0.91 -5.02 118.16 110.77 2or3 n LYS 99 Ca 0.17 0.67 -0.25 0.00 -2.02 0.00 0.00 58.31 56.88 2or3 n LYS 99 Cb 0.40 -5.21 -0.04 0.00 -0.02 0.00 0.00 35.03 30.17 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 -3.54 1.62 0.29 0.72 0.00 -0.12 -5.04 107.32 101.25 2or3 s GLY 100 Ca 0.31 -1.18 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 2or3 s GLY 100 CO 0.58 -1.20 1.36 -2.27 0.00 0.00 0.00 173.10 171.58 2or3 s LEU 101 N -3.34 4.41 -0.11 0.66 2.96 -1.19 -4.50 118.68 117.57 2or3 s LEU 101 Ca 0.33 2.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.92 2or3 s LEU 101 Cb -0.10 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.97 2or3 s LEU 101 CO 0.26 -0.61 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.88 2or3 s ILE 102 N -0.58 1.59 -0.10 6.68 1.01 -0.73 -1.92 121.20 127.15 2or3 s ILE 102 Ca 0.54 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2or3 s ILE 102 Cb -0.40 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2or3 s ILE 102 CO 0.48 0.46 -0.14 0.00 0.00 0.00 0.00 174.94 175.74 2or3 s ALA 103 N 0.87 1.58 -0.01 9.38 0.00 -0.06 -1.12 121.76 132.41 2or3 s ALA 103 Ca -0.09 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2or3 s ALA 103 Cb -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2or3 s ALA 103 CO -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 175.76 175.68 2or3 s ALA 104 N 0.98 0.19 0.03 0.00 0.00 -0.15 -0.45 121.76 122.36 2or3 s ALA 104 Ca -0.07 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.91 2or3 s ALA 104 Cb -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2or3 s ALA 104 CO -0.01 0.02 -0.18 -1.50 0.00 0.00 0.00 175.76 174.09 2or3 s ILE 105 N 0.13 1.45 0.00 0.00 2.07 -0.76 -2.07 121.20 122.01 2or3 s ILE 105 Ca -0.01 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2or3 s ILE 105 Cb -0.03 -1.26 0.00 0.00 0.13 0.00 0.00 42.46 41.30 2or3 s ILE 105 CO -0.00 0.18 0.00 0.00 -1.91 0.00 0.00 174.94 173.20 2or3 h ALA 107 N -0.40 0.69 -0.93 0.00 0.00 -1.87 -1.48 119.26 115.27 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 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 2or3 h ALA 107 CO 0.00 0.00 0.43 0.78 0.00 0.00 0.00 179.25 180.46 2or3 h GLY 108 N 4.41 1.67 2.00 0.00 0.00 -0.88 -0.89 103.07 109.38 2or3 h GLY 108 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2or3 h GLY 108 CO 0.00 -0.33 -0.00 -2.55 0.00 0.00 0.00 176.54 173.66 2or3 h PRO 109 N 0.38 0.00 0.00 4.80 0.11 -1.76 -1.46 132.00 134.06 2or3 h PRO 109 Ca 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.71 2or3 h PRO 109 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2or3 h PRO 109 CO -0.56 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 179.01 2or3 h THR 110 N 0.00 0.08 0.00 -1.15 1.35 -1.47 -0.24 112.91 111.48 2or3 h THR 110 Ca -0.00 -0.20 -0.08 0.00 -0.55 0.00 0.00 66.41 65.58 2or3 h THR 110 Cb 0.08 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2or3 h THR 110 CO 0.00 0.01 -0.40 0.00 -0.25 0.00 0.00 175.52 174.88 2or3 h ALA 111 N 1.99 1.07 -0.64 6.62 0.00 -1.43 -1.55 119.26 125.32 2or3 h ALA 111 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2or3 h ALA 111 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2or3 h ALA 111 CO 0.00 0.50 0.27 -0.07 0.00 0.00 0.00 179.25 179.95 2or3 h LEU 112 N 0.00 0.87 -0.07 0.00 3.38 -1.17 -2.17 115.31 116.14 2or3 h LEU 112 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2or3 h LEU 112 Cb 0.86 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2or3 h LEU 112 CO 0.05 0.79 0.04 0.25 0.09 0.00 0.00 178.44 179.65 2or3 h LEU 113 N 0.89 0.09 -1.54 1.67 5.85 -1.32 0.56 115.31 121.51 2or3 h LEU 113 Ca 0.22 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2or3 h LEU 113 Cb 0.18 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2or3 h LEU 113 CO -0.02 0.18 0.37 0.00 -0.34 0.00 0.00 178.44 178.63 2or3 h ALA 114 N 0.92 1.79 -0.70 1.25 0.00 -1.15 -2.07 119.26 119.31 2or3 h ALA 114 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2or3 h ALA 114 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2or3 h ALA 114 CO -0.00 0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.10 2or3 n HIS 115 N -4.47 0.93 -3.57 0.00 8.25 -0.83 -4.96 115.22 110.57 2or3 n HIS 115 Ca 0.07 -0.49 -0.22 0.00 -0.26 0.00 0.00 57.72 56.83 2or3 n HIS 115 Cb 0.19 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.38 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 1.58 -7.09 -3.65 -0.41 1.02 -0.43 -4.96 120.64 106.70 2or3 n GLU 116 Ca 0.24 0.81 -0.36 0.00 -0.02 0.00 0.00 57.16 57.83 2or3 n GLU 116 Cb 0.61 -5.80 -0.08 0.00 -0.02 0.00 0.00 31.44 26.15 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 -3.36 5.37 -1.48 -3.67 -1.09 0.06 -4.57 121.20 112.45 2or3 s ILE 117 Ca 0.33 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 2or3 s ILE 117 Cb -0.15 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2or3 s ILE 117 CO 0.74 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 175.48 2or3 n GLY 118 N 3.47 0.33 3.65 6.18 0.00 -1.26 -4.62 105.19 112.93 2or3 n GLY 118 Ca -0.14 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.53 1.91 -0.09 1.61 0.99 -1.26 -1.33 117.46 115.75 2or3 n PHE 119 Ca -0.18 0.52 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 2or3 n PHE 119 Cb 0.61 -2.40 0.00 0.00 -1.00 0.00 0.00 39.48 36.69 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 1.94 0.74 3.79 1.37 0.00 0.82 -5.01 105.19 108.83 2or3 n GLY 120 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.69 5.81 0.02 1.61 0.01 -0.44 -4.58 113.70 113.43 2or3 s SER 121 Ca 0.00 1.98 -0.30 0.00 1.31 0.00 0.00 55.95 58.94 2or3 s SER 121 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2or3 s SER 121 CO 0.00 -1.15 1.07 -0.54 0.41 0.00 0.00 173.24 173.03 2or3 s LYS 122 N -3.62 4.50 0.03 12.44 1.02 -1.26 -1.40 119.74 131.46 2or3 s LYS 122 Ca 0.68 1.56 -0.02 0.00 0.02 0.00 0.00 55.97 58.21 2or3 s LYS 122 Cb -0.19 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 2or3 s LYS 122 CO 0.30 -0.15 -0.00 0.14 -0.92 0.00 0.00 175.35 174.72 2or3 s VAL 123 N 1.10 0.15 0.33 3.17 -7.23 -0.37 -4.42 120.40 113.14 2or3 s VAL 123 Ca 0.54 -1.23 0.10 0.00 -1.81 0.00 0.00 61.98 59.58 2or3 s VAL 123 Cb -0.24 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 2or3 s VAL 123 CO 0.28 -0.68 -0.10 0.28 -0.31 0.00 0.00 175.10 174.57 2or3 s THR 124 N -2.48 2.22 0.34 5.32 -1.32 -1.26 -0.09 115.64 118.37 2or3 s THR 124 Ca -0.06 -2.22 -0.00 0.00 -1.21 0.00 0.00 61.69 58.20 2or3 s THR 124 Cb -0.02 -2.60 -0.00 0.00 -1.51 0.00 0.00 72.50 68.36 2or3 s THR 124 CO -0.05 -0.23 0.43 0.42 -2.21 0.00 0.00 174.62 172.99 2or3 s THR 125 N -2.63 0.00 0.46 5.08 -4.23 -1.26 -4.25 115.64 108.81 2or3 s THR 125 Ca 0.32 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.89 2or3 s THR 125 Cb 0.02 -2.62 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 2or3 s THR 125 CO 0.16 0.00 1.29 1.57 -0.54 0.00 0.00 174.62 177.10 2or3 n HIS 126 N -0.58 2.16 -0.34 3.99 -0.00 -0.56 -4.55 115.22 115.34 2or3 n HIS 126 Ca 0.02 0.47 0.21 0.00 0.46 0.00 0.00 57.72 58.89 2or3 n HIS 126 Cb 0.62 -2.37 0.45 0.00 -0.12 0.00 0.00 29.99 28.57 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 1.90 0.44 0.00 1.57 0.11 -1.93 0.09 132.00 134.19 2or3 h PRO 127 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2or3 h PRO 127 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2or3 h PRO 127 CO 0.59 0.29 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 2or3 n LEU 128 N -4.83 0.00 -0.65 2.35 4.77 -1.26 -2.54 117.00 114.85 2or3 n LEU 128 Ca 0.28 0.45 0.10 0.00 -0.03 0.00 0.00 56.01 56.81 2or3 n LEU 128 Cb 0.86 -0.45 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2or3 n LEU 128 CO 0.18 -0.07 0.44 0.00 -1.33 0.00 0.00 177.39 176.60 2or3 n ALA 129 N -1.45 2.95 -0.09 -1.18 0.00 -0.00 -4.59 120.51 116.15 2or3 n ALA 129 Ca 0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 2or3 n ALA 129 Cb 0.27 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 3.19 0.37 -0.32 0.00 3.64 -1.25 -1.68 116.57 120.51 2or3 h LYS 130 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2or3 h LYS 130 Cb 0.78 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2or3 h LYS 130 CO 0.00 0.24 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.91 2or3 h ASP 131 N 0.38 0.50 -0.27 4.20 3.32 -1.81 -0.67 116.42 122.07 2or3 h ASP 131 Ca 0.12 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 2or3 h ASP 131 Cb -0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2or3 h ASP 131 CO -0.05 0.62 -0.50 0.50 -1.72 0.00 0.00 179.24 178.08 2or3 h LYS 132 N 0.49 0.81 -0.38 3.56 1.63 -1.82 -2.59 116.57 118.27 2or3 h LYS 132 Ca 0.10 -0.52 -0.07 0.00 -0.85 0.00 0.00 60.65 59.31 2or3 h LYS 132 Cb 0.43 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 2or3 h LYS 132 CO 0.02 1.15 -0.04 1.98 -3.45 0.00 0.00 179.45 179.10 2or3 h MET 133 N 0.57 0.62 -0.01 1.90 4.05 -0.82 -3.14 114.93 118.09 2or3 h MET 133 Ca 0.01 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2or3 h MET 133 Cb 1.11 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 2or3 h MET 133 CO 0.11 0.67 -0.17 -1.33 0.23 0.00 0.00 176.91 176.42 2or3 n MET 134 N -4.23 1.17 -1.61 0.39 2.81 -0.30 -4.72 117.12 110.64 2or3 n MET 134 Ca 0.02 -0.71 -0.48 0.00 -1.81 0.00 0.00 57.70 54.72 2or3 n MET 134 Cb 0.29 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.27 2or3 n MET 134 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2or3 n ASN 135 N -0.29 3.09 0.00 7.83 5.15 -0.98 -0.42 115.26 129.64 2or3 n ASN 135 Ca 0.14 0.68 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 2or3 n ASN 135 Cb 0.36 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 2or3 n ASN 135 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2or3 n GLY 136 N 5.22 0.76 2.37 8.20 0.00 -1.26 -4.47 105.19 116.01 2or3 n GLY 136 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.02 0.40 -0.02 0.00 0.44 -4.90 105.19 99.10 2or3 n GLY 137 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.96 0.00 -4.21 1.61 8.25 -1.26 -4.87 115.22 110.78 2or3 n HIS 138 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.25 2or3 n HIS 138 Cb 0.58 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.10 1.18 -0.12 4.41 1.51 -1.26 -0.13 117.35 120.84 2or3 s TYR 139 Ca 0.36 -1.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.02 2or3 s TYR 139 Cb 0.21 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 2or3 s TYR 139 CO 0.37 -0.63 -0.01 0.99 -1.11 0.00 0.00 175.55 175.16 2or3 s THR 140 N -4.14 4.14 0.15 -0.71 2.01 -0.49 -4.95 115.64 111.66 2or3 s THR 140 Ca 0.39 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 2or3 s THR 140 Cb 0.07 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.75 2or3 s THR 140 CO 0.12 0.55 0.46 -0.47 -0.69 0.00 0.00 174.62 174.59 2or3 s TYR 141 N -0.32 3.51 0.03 4.92 5.04 -1.26 -1.23 117.35 128.04 2or3 s TYR 141 Ca 0.06 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.53 2or3 s TYR 141 Cb -0.12 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 2or3 s TYR 141 CO 0.02 0.41 -0.13 0.45 -1.34 0.00 0.00 175.55 174.96 2or3 s SER 142 N -2.09 1.58 -0.03 4.32 0.15 0.87 -4.83 113.70 113.67 2or3 s SER 142 Ca 0.40 -0.40 0.21 0.00 0.70 0.00 0.00 55.95 56.86 2or3 s SER 142 Cb -0.13 -0.12 0.64 0.00 -1.71 0.00 0.00 66.02 64.70 2or3 s SER 142 CO 0.21 0.06 1.54 -0.62 1.20 0.00 0.00 173.24 175.62 2or3 n GLU 143 N 2.12 2.98 -2.16 5.44 4.71 -1.26 -4.27 120.64 128.20 2or3 n GLU 143 Ca -0.17 -2.67 -0.37 0.00 -0.01 0.00 0.00 57.16 53.94 2or3 n GLU 143 Cb 0.55 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 2or3 n GLU 143 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2or3 s ASN 144 N -0.99 5.94 0.28 1.62 0.01 -1.26 -4.93 114.94 115.61 2or3 s ASN 144 Ca 0.47 2.39 -0.02 0.00 -0.71 0.00 0.00 52.86 54.99 2or3 s ASN 144 Cb 0.26 -2.61 0.40 0.00 0.41 0.00 0.00 41.25 39.71 2or3 s ASN 144 CO 0.30 -1.08 1.86 0.03 -1.51 0.00 0.00 177.10 176.70 2or3 h ARG 145 N 1.84 0.92 -4.53 -0.60 3.08 -1.94 -3.40 114.38 109.76 2or3 h ARG 145 Ca -0.50 -0.15 -0.49 0.00 0.07 0.00 0.00 59.98 58.91 2or3 h ARG 145 Cb 1.26 -0.16 -0.33 0.00 0.08 0.00 0.00 29.97 30.82 2or3 h ARG 145 CO 0.59 0.75 -0.81 0.08 -1.07 0.00 0.00 179.97 179.52 2or3 s VAL 146 N -5.42 1.03 -0.02 2.04 1.01 -1.26 -2.99 120.40 114.79 2or3 s VAL 146 Ca -0.10 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2or3 s VAL 146 Cb 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2or3 s VAL 146 CO 0.80 0.33 -0.22 -0.70 0.00 0.00 0.00 175.10 175.30 2or3 s GLU 147 N 0.60 1.89 -0.08 2.72 2.56 -0.11 -4.99 118.70 121.29 2or3 s GLU 147 Ca -0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 54.97 54.02 2or3 s GLU 147 Cb -0.15 -1.79 0.04 0.00 2.00 0.00 0.00 34.13 34.23 2or3 s GLU 147 CO 0.03 0.46 0.05 0.21 -0.56 0.00 0.00 175.26 175.45 2or3 s LYS 148 N -0.47 0.20 -0.36 4.30 2.20 -1.26 -0.53 119.74 123.82 2or3 s LYS 148 Ca 0.07 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 2or3 s LYS 148 Cb -0.09 -1.00 0.11 0.00 -1.51 0.00 0.00 37.83 35.34 2or3 s LYS 148 CO -0.00 -0.40 0.10 0.34 -0.36 0.00 0.00 175.35 175.03 2or3 s ASP 149 N 2.08 4.40 1.90 1.43 -1.08 -0.34 -5.00 116.67 120.06 2or3 s ASP 149 Ca 0.04 -2.14 0.00 0.00 -0.52 0.00 0.00 52.55 49.93 2or3 s ASP 149 Cb -0.13 -1.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.98 2or3 s ASP 149 CO -0.05 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 175.89 2or3 n GLY 150 N 4.24 4.14 1.39 2.66 0.00 -1.26 -1.81 105.19 114.56 2or3 n GLY 150 Ca 0.03 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 4.11 -4.09 0.99 4.32 -1.26 -4.72 117.00 116.35 2or3 n LEU 151 Ca 0.00 -2.07 -0.33 0.00 -0.02 0.00 0.00 56.01 53.59 2or3 n LEU 151 Cb 0.00 -0.53 -0.14 0.00 -1.62 0.00 0.00 43.42 41.12 2or3 n LEU 151 CO 0.00 0.69 -0.39 -0.63 -1.22 0.00 0.00 177.39 175.84 2or3 s ILE 152 N -1.83 2.50 -0.22 -0.08 -1.09 -0.75 -1.77 121.20 117.97 2or3 s ILE 152 Ca 0.43 -1.73 -0.04 0.00 -2.23 0.00 0.00 60.65 57.07 2or3 s ILE 152 Cb 0.28 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 2or3 s ILE 152 CO 0.20 -0.21 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.46 2or3 s LEU 153 N 1.11 3.01 0.20 2.97 0.20 -0.28 -1.20 118.68 124.69 2or3 s LEU 153 Ca -0.03 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.52 2or3 s LEU 153 Cb -0.20 -1.77 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 2or3 s LEU 153 CO -0.04 -0.00 -0.11 0.42 -0.29 0.00 0.00 176.35 176.33 2or3 s THR 154 N 1.38 1.47 0.31 3.68 -4.23 0.31 -0.97 115.64 117.58 2or3 s THR 154 Ca 0.05 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.30 2or3 s THR 154 Cb -0.14 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2or3 s THR 154 CO -0.01 -0.59 0.58 -0.55 -0.54 0.00 0.00 174.62 173.51 2or3 s SER 155 N -3.28 0.16 -0.14 3.99 0.15 -0.88 -0.93 113.70 112.77 2or3 s SER 155 Ca 0.22 -1.08 0.14 0.00 0.70 0.00 0.00 55.95 55.94 2or3 s SER 155 Cb 0.01 0.69 -0.20 0.00 -1.71 0.00 0.00 66.02 64.81 2or3 s SER 155 CO 0.05 -1.34 0.08 0.54 1.20 0.00 0.00 173.24 173.78 2or3 n ARG 156 N -0.47 1.34 -3.70 5.44 1.74 -1.16 -1.16 116.66 118.69 2or3 n ARG 156 Ca -0.03 -0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 2or3 n ARG 156 Cb 0.61 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.66 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 1.98 0.35 0.33 -0.13 0.00 -1.26 -2.47 105.19 103.99 2or3 n GLY 157 Ca -0.24 -1.04 0.09 0.00 0.00 0.00 0.00 46.02 44.83 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 0.68 0.00 1.61 0.11 -1.98 -1.10 132.00 131.32 2or3 h PRO 158 Ca -0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2or3 h PRO 158 Cb 1.04 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2or3 h PRO 158 CO 0.28 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 2or3 n GLY 159 N -1.33 -1.01 1.03 -0.55 0.00 -1.26 -1.76 105.19 100.31 2or3 n GLY 159 Ca 0.19 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.18 0.66 -0.10 2.61 -2.24 -0.43 -4.72 114.28 108.87 2or3 n THR 160 Ca 0.15 -0.83 -0.06 0.00 -2.27 0.00 0.00 64.05 61.03 2or3 n THR 160 Cb 0.16 0.81 0.12 0.00 -2.10 0.00 0.00 70.33 69.32 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 3.72 0.78 -0.31 3.42 0.02 -1.18 0.38 113.55 120.37 2or3 h SER 161 Ca 0.00 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 2or3 h SER 161 Cb 0.89 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2or3 h SER 161 CO 0.00 0.92 0.03 -0.26 -1.14 0.00 0.00 176.83 176.38 2or3 h PHE 162 N 0.71 0.58 -0.78 3.45 -1.00 -1.85 -0.56 116.94 117.49 2or3 h PHE 162 Ca 0.12 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 2or3 h PHE 162 Cb 0.62 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.98 2or3 h PHE 162 CO 0.03 0.64 0.45 0.93 -1.61 0.00 0.00 178.31 178.75 2or3 h GLU 163 N 0.35 1.07 -0.01 1.51 5.08 -1.80 -0.47 114.58 120.30 2or3 h GLU 163 Ca 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2or3 h GLU 163 Cb 0.39 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2or3 h GLU 163 CO 0.01 0.78 0.01 0.35 -1.00 0.00 0.00 179.01 179.15 2or3 h PHE 164 N 1.07 0.01 -0.60 4.33 3.57 -0.81 -0.68 116.94 123.83 2or3 h PHE 164 Ca 0.28 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2or3 h PHE 164 Cb 0.00 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2or3 h PHE 164 CO -0.00 0.02 0.24 0.00 -2.23 0.00 0.00 178.31 176.33 2or3 h ALA 165 N 0.99 0.78 -0.04 2.41 0.00 -0.89 -1.92 119.26 120.59 2or3 h ALA 165 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2or3 h ALA 165 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2or3 h ALA 165 CO -0.00 0.39 -0.45 -0.07 0.00 0.00 0.00 179.25 179.12 2or3 h LEU 166 N 0.83 0.09 -0.94 0.00 3.38 -0.98 -1.01 115.31 116.67 2or3 h LEU 166 Ca 0.20 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2or3 h LEU 166 Cb 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2or3 h LEU 166 CO -0.02 0.53 0.06 0.00 0.09 0.00 0.00 178.44 179.10 2or3 h ALA 167 N 1.48 1.13 -0.10 1.53 0.00 -0.63 0.18 119.26 122.84 2or3 h ALA 167 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2or3 h ALA 167 Cb 0.82 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2or3 h ALA 167 CO 0.06 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.73 2or3 h ILE 168 N 0.79 1.18 -0.51 0.00 2.04 -0.84 -0.90 117.51 119.27 2or3 h ILE 168 Ca 0.16 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2or3 h ILE 168 Cb 0.39 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2or3 h ILE 168 CO 0.01 0.16 0.23 0.58 0.00 0.00 0.00 178.15 179.13 2or3 h VAL 169 N -0.03 0.89 -0.68 1.67 2.07 -0.93 -1.56 116.25 117.68 2or3 h VAL 169 Ca 0.03 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2or3 h VAL 169 Cb 0.22 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2or3 h VAL 169 CO -0.00 0.08 0.32 -0.08 0.02 0.00 0.00 177.57 177.91 2or3 h GLU 170 N 0.44 0.99 -0.99 1.57 4.81 -0.50 0.21 114.58 121.11 2or3 h GLU 170 Ca 0.24 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2or3 h GLU 170 Cb 0.20 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2or3 h GLU 170 CO -0.20 0.78 0.64 0.00 -0.73 0.00 0.00 179.01 179.50 2or3 h ALA 171 N 1.15 1.25 0.11 2.92 0.00 -0.57 -0.29 119.26 123.83 2or3 h ALA 171 Ca 0.23 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 2or3 h ALA 171 Cb 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2or3 h ALA 171 CO -0.03 0.66 -1.35 -0.07 0.00 0.00 0.00 179.25 178.47 2or3 h LEU 172 N 1.35 0.38 -0.65 0.00 4.07 -0.94 -3.41 115.31 116.11 2or3 h LEU 172 Ca 0.36 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2or3 h LEU 172 Cb -0.13 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.48 2or3 h LEU 172 CO -0.08 1.59 -0.08 0.59 -1.08 0.00 0.00 178.44 179.38 2or3 n ASN 173 N -3.95 0.84 0.00 -0.43 3.02 0.72 -5.03 115.26 110.43 2or3 n ASN 173 Ca -0.24 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 2or3 n ASN 173 Cb 0.89 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.63 0.15 0.21 7.41 0.00 -0.12 -4.42 105.19 109.04 2or3 n GLY 174 Ca 0.02 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 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 0.68 -0.44 1.61 3.64 -1.90 -2.46 116.57 117.69 2or3 h LYS 175 Ca 0.00 -0.39 -0.13 0.00 -1.27 0.00 0.00 60.65 58.86 2or3 h LYS 175 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2or3 h LYS 175 CO 0.00 1.00 -0.24 1.49 -2.27 0.00 0.00 179.45 179.44 2or3 h GLU 176 N 0.40 0.91 -0.17 1.90 4.57 -1.97 -0.86 114.58 119.36 2or3 h GLU 176 Ca 0.03 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2or3 h GLU 176 Cb 0.92 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2or3 h GLU 176 CO 0.08 1.05 0.08 0.28 -1.18 0.00 0.00 179.01 179.31 2or3 h VAL 177 N 0.79 1.14 -0.98 0.32 2.07 -1.77 -0.60 116.25 117.23 2or3 h VAL 177 Ca 0.10 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2or3 h VAL 177 Cb 0.80 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2or3 h VAL 177 CO 0.07 0.14 0.63 0.00 0.02 0.00 0.00 177.57 178.43 2or3 h ALA 178 N 0.93 1.35 -0.61 1.67 0.00 -1.26 -0.36 119.26 120.98 2or3 h ALA 178 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2or3 h ALA 178 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2or3 h ALA 178 CO -0.01 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.71 2or3 h ALA 179 N 1.44 0.89 -0.54 0.00 0.00 -0.89 -0.44 119.26 119.72 2or3 h ALA 179 Ca 0.42 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2or3 h ALA 179 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2or3 h ALA 179 CO -0.16 0.66 -0.11 1.96 0.00 0.00 0.00 179.25 181.60 2or3 h GLN 180 N 0.96 1.03 -0.43 0.00 4.20 -0.54 -2.28 115.11 118.04 2or3 h GLN 180 Ca 0.18 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 2or3 h GLN 180 Cb 0.52 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2or3 h GLN 180 CO 0.03 1.07 -0.12 0.28 -0.67 0.00 0.00 178.83 179.42 2or3 h VAL 181 N 0.90 1.26 -0.40 -0.54 2.07 -0.91 -3.25 116.25 115.38 2or3 h VAL 181 Ca 0.14 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 2or3 h VAL 181 Cb 0.68 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2or3 h VAL 181 CO 0.05 0.40 0.09 0.50 0.02 0.00 0.00 177.57 178.63 2or3 h LYS 182 N 0.71 0.65 -0.43 1.57 3.64 -0.76 -3.34 116.57 118.59 2or3 h LYS 182 Ca 0.12 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2or3 h LYS 182 Cb 0.60 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2or3 h LYS 182 CO 0.04 0.68 0.20 0.00 -2.27 0.00 0.00 179.45 178.10 2or3 h ALA 183 N 0.94 0.54 0.00 5.00 0.00 -1.45 -1.08 119.26 123.21 2or3 h ALA 183 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2or3 h ALA 183 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2or3 h ALA 183 CO 0.00 -0.17 0.00 -2.30 0.00 0.00 0.00 179.25 176.79 2or3 n PRO 184 N -4.94 0.08 0.25 0.00 -0.02 -1.25 -3.10 135.00 126.01 2or3 n PRO 184 Ca 0.03 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 2or3 n PRO 184 Cb 0.13 -1.50 0.41 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.43 2.45 3.38 -1.35 -3.47 115.31 114.88 2or3 h LEU 185 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2or3 h LEU 185 Cb 0.19 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.08 2or3 h LEU 185 CO 0.00 0.00 -0.65 0.52 0.09 0.00 0.00 178.44 178.40 2or3 n VAL 186 N -3.09 -4.43 -1.66 1.22 0.31 -1.18 -5.02 118.33 104.49 2or3 n VAL 186 Ca 0.02 -0.30 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 2or3 n VAL 186 Cb 0.43 -4.37 0.06 0.00 -0.91 0.00 0.00 33.84 29.04 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 -6.04 2.92 0.00 7.52 1.43 -1.26 -5.19 118.68 118.05 2or3 s LEU 187 Ca 0.16 1.40 0.30 0.00 -1.03 0.00 0.00 54.13 54.96 2or3 s LEU 187 Cb -0.07 -4.19 1.41 0.00 0.03 0.00 0.00 46.19 43.37 2or3 s LEU 187 CO 0.64 -1.54 1.95 1.17 0.23 0.00 0.00 176.35 178.80