#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ine s VAL 2 N 0.00 4.94 -0.24 2.62 1.01 -1.26 -3.43 120.40 124.04 1ine s VAL 2 Ca 0.00 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1ine s VAL 2 Cb 0.00 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1ine s VAL 2 CO 0.00 -0.29 0.62 -0.89 0.00 0.00 0.00 175.10 174.53 1ine s THR 3 N -2.07 -0.00 -0.07 3.92 2.01 -0.07 -4.92 115.64 114.44 1ine s THR 3 Ca 0.47 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 1ine s THR 3 Cb -0.11 -0.88 0.03 0.00 0.01 0.00 0.00 72.50 71.55 1ine s THR 3 CO 0.28 0.01 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.43 1ine s LEU 4 N 0.95 0.94 -0.08 4.42 1.02 -1.26 -1.66 118.68 123.01 1ine s LEU 4 Ca -0.05 -0.13 -0.00 0.00 0.02 0.00 0.00 54.13 53.97 1ine s LEU 4 Cb -0.05 -0.49 0.02 0.00 0.02 0.00 0.00 46.19 45.69 1ine s LEU 4 CO -0.09 -0.13 -0.05 0.54 0.02 0.00 0.00 176.35 176.65 1ine s VAL 5 N 1.54 0.73 0.18 -1.59 0.11 -0.62 -3.67 120.40 117.07 1ine s VAL 5 Ca -0.01 -0.14 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1ine s VAL 5 Cb -0.13 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1ine s VAL 5 CO -0.04 0.31 0.45 -1.83 -3.33 0.00 0.00 175.10 170.66 1ine s GLU 6 N 1.57 3.71 0.28 1.54 1.03 -1.26 -1.34 118.70 124.23 1ine s GLU 6 Ca 0.00 0.08 -0.11 0.00 0.03 0.00 0.00 54.97 54.98 1ine s GLU 6 Cb -0.13 -2.77 0.00 0.00 -0.80 0.00 0.00 34.13 30.43 1ine s GLU 6 CO -0.05 0.41 0.51 -1.54 -1.33 0.00 0.00 175.26 173.26 1ine s SER 7 N -2.37 0.13 0.00 0.83 1.04 0.14 -4.76 113.70 108.71 1ine s SER 7 Ca 0.43 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1ine s SER 7 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ine s SER 7 CO 0.23 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1ine n GLY 8 N -0.43 1.29 3.67 7.32 0.00 -1.26 -1.58 105.19 114.20 1ine n GLY 8 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ine n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ine n GLY 9 N -0.06 0.28 3.67 -0.02 0.00 -1.26 -4.81 105.19 103.00 1ine n GLY 9 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1ine n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ine s ASP 10 N -0.68 -0.12 0.98 1.61 2.15 -1.03 -4.90 116.67 114.69 1ine s ASP 10 Ca 0.64 -0.24 -0.12 0.00 0.43 0.00 0.00 52.55 53.25 1ine s ASP 10 Cb -0.51 0.30 0.18 0.00 -0.30 0.00 0.00 42.92 42.59 1ine s ASP 10 CO 0.56 -0.56 1.08 -0.44 -0.17 0.00 0.00 175.17 175.65 1ine s SER 11 N -2.93 2.72 -0.21 -0.34 0.01 -1.26 -2.86 113.70 108.82 1ine s SER 11 Ca 0.13 1.50 -0.28 0.00 1.31 0.00 0.00 55.95 58.61 1ine s SER 11 Cb 0.02 -2.17 0.12 0.00 0.21 0.00 0.00 66.02 64.20 1ine s SER 11 CO -0.01 -3.12 1.01 0.54 0.41 0.00 0.00 173.24 172.07 1ine s VAL 12 N -2.81 0.00 0.38 3.43 0.11 -0.05 -4.83 120.40 116.62 1ine s VAL 12 Ca 0.65 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.48 1ine s VAL 12 Cb -0.20 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.55 1ine s VAL 12 CO 0.59 0.00 0.92 -0.54 -3.33 0.00 0.00 175.10 172.74 1ine s LYS 13 N -0.53 4.32 0.38 1.54 1.02 -1.26 0.09 119.74 125.31 1ine s LYS 13 Ca 0.00 1.13 -0.26 0.00 0.02 0.00 0.00 55.97 56.86 1ine s LYS 13 Cb -0.02 -2.42 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 1ine s LYS 13 CO -0.02 0.10 1.06 -2.30 -0.92 0.00 0.00 175.35 173.28 1ine n PRO 14 N -0.18 1.50 0.00 -1.68 -0.02 -1.26 -0.58 135.00 132.78 1ine n PRO 14 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ine n PRO 14 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1ine n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ine n GLY 15 N 1.11 2.79 3.73 -1.23 0.00 0.29 -4.95 105.19 106.93 1ine n GLY 15 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1ine n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ine s GLY 16 N -1.21 2.33 0.02 -0.02 0.00 0.26 -4.26 107.32 104.45 1ine s GLY 16 Ca 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 44.72 45.57 1ine s GLY 16 CO 0.00 1.26 0.14 -0.56 0.00 0.00 0.00 173.10 173.93 1ine s SER 17 N -2.07 5.98 0.00 1.64 0.01 -1.25 -3.09 113.70 114.93 1ine s SER 17 Ca 0.74 0.20 -0.16 0.00 1.31 0.00 0.00 55.95 58.04 1ine s SER 17 Cb -0.28 -1.77 0.03 0.00 0.21 0.00 0.00 66.02 64.20 1ine s SER 17 CO 0.45 0.23 0.34 -0.22 0.41 0.00 0.00 173.24 174.45 1ine s LEU 18 N -2.08 0.74 -0.16 2.44 0.20 0.20 -4.98 118.68 115.04 1ine s LEU 18 Ca 0.28 0.04 0.00 0.00 0.69 0.00 0.00 54.13 55.14 1ine s LEU 18 Cb -0.12 1.40 0.03 0.00 -0.43 0.00 0.00 46.19 47.07 1ine s LEU 18 CO 0.20 -0.52 -0.11 -0.75 -0.29 0.00 0.00 176.35 174.88 1ine s LYS 19 N -1.76 1.96 0.36 1.98 2.47 -1.26 0.18 119.74 123.66 1ine s LYS 19 Ca -0.10 -0.57 0.02 0.00 -1.56 0.00 0.00 55.97 53.76 1ine s LYS 19 Cb -0.03 -2.08 -0.02 0.00 -1.46 0.00 0.00 37.83 34.24 1ine s LYS 19 CO 0.02 -0.32 0.54 -0.51 0.16 0.00 0.00 175.35 175.23 1ine s LEU 20 N 1.53 3.95 -0.04 5.43 1.02 0.10 -4.72 118.68 125.95 1ine s LEU 20 Ca 0.03 0.20 -0.03 0.00 0.02 0.00 0.00 54.13 54.35 1ine s LEU 20 Cb -0.14 -3.07 0.02 0.00 0.02 0.00 0.00 46.19 43.01 1ine s LEU 20 CO -0.09 -0.41 0.10 -0.44 0.02 0.00 0.00 176.35 175.53 1ine s SER 21 N -4.11 -0.08 -0.23 2.29 0.01 -0.61 -1.87 113.70 109.09 1ine s SER 21 Ca 0.42 0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.86 1ine s SER 21 Cb -0.10 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1ine s SER 21 CO 0.34 -0.07 -0.07 0.00 0.41 0.00 0.00 173.24 173.86 1ine s ALA 23 N 1.39 3.60 0.41 0.00 0.00 -0.45 0.44 121.76 127.15 1ine s ALA 23 Ca 0.03 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1ine s ALA 23 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1ine s ALA 23 CO -0.05 0.32 0.52 0.00 0.00 0.00 0.00 175.76 176.56 1ine s ALA 24 N -0.11 4.41 -0.20 0.00 0.00 -0.89 -1.60 121.76 123.38 1ine s ALA 24 Ca 0.09 -1.70 -0.28 0.00 0.00 0.00 0.00 51.96 50.06 1ine s ALA 24 Cb -0.12 -1.50 0.11 0.00 0.00 0.00 0.00 23.12 21.61 1ine s ALA 24 CO 0.01 -0.25 0.92 -1.12 0.00 0.00 0.00 175.76 175.32 1ine s SER 25 N -4.29 -0.49 0.00 0.00 0.01 -0.66 -4.94 113.70 103.32 1ine s SER 25 Ca 0.53 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1ine s SER 25 Cb -0.09 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1ine s SER 25 CO 0.32 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1ine n GLY 26 N 1.51 0.73 3.69 3.44 0.00 -1.22 -0.90 105.19 112.44 1ine n GLY 26 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1ine n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ine s PHE 27 N -2.87 -0.17 -0.32 1.61 -0.71 -1.26 -4.68 117.98 109.58 1ine s PHE 27 Ca 0.00 -0.08 -0.13 0.00 -1.04 0.00 0.00 56.93 55.68 1ine s PHE 27 Cb 0.00 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1ine s PHE 27 CO 0.00 -0.72 0.25 0.99 -1.34 0.00 0.00 175.22 174.40 1ine s THR 28 N -3.18 5.27 0.26 -4.49 2.01 -1.26 -5.00 115.64 109.25 1ine s THR 28 Ca 0.11 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1ine s THR 28 Cb -0.01 -3.67 0.25 0.00 0.01 0.00 0.00 72.50 69.08 1ine s THR 28 CO -0.01 0.08 1.83 0.25 -0.69 0.00 0.00 174.62 176.08 1ine h LEU 29 N 8.50 0.82 -0.68 4.42 5.85 -1.93 -3.29 115.31 129.00 1ine h LEU 29 Ca -0.32 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.57 1ine h LEU 29 Cb 1.17 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.95 1ine h LEU 29 CO 0.62 0.46 -0.20 0.28 -0.34 0.00 0.00 178.44 179.26 1ine h SER 30 N 0.92 -0.72 -2.33 1.25 0.02 -1.94 -2.44 113.55 108.31 1ine h SER 30 Ca 0.44 0.21 -0.71 0.00 -0.84 0.00 0.00 61.79 60.89 1ine h SER 30 Cb 0.39 0.45 -0.34 0.00 0.14 0.00 0.00 62.40 63.04 1ine h SER 30 CO -0.25 -0.24 0.23 0.61 -1.14 0.00 0.00 176.83 176.04 1ine n GLY 31 N -1.46 5.73 3.62 -3.77 0.00 -1.24 -2.49 105.19 105.57 1ine n GLY 31 Ca 0.08 -2.69 -0.03 0.00 0.00 0.00 0.00 46.02 43.39 1ine n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ine s GLU 32 N -3.69 0.57 0.02 1.61 2.56 -0.92 -4.97 118.70 113.88 1ine s GLU 32 Ca 0.42 1.21 -0.22 0.00 0.00 0.00 0.00 54.97 56.38 1ine s GLU 32 Cb 0.21 0.49 -0.05 0.00 2.00 0.00 0.00 34.13 36.77 1ine s GLU 32 CO -0.10 -0.16 0.67 0.99 -0.56 0.00 0.00 175.26 176.10 1ine s THR 33 N 2.25 4.82 -0.00 -1.70 2.01 -1.26 -4.25 115.64 117.51 1ine s THR 33 Ca -0.07 1.41 0.07 0.00 0.31 0.00 0.00 61.69 63.40 1ine s THR 33 Cb -0.08 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1ine s THR 33 CO -0.19 0.40 -0.22 -0.04 -0.69 0.00 0.00 174.62 173.88 1ine s MET 34 N -0.17 1.69 0.07 4.92 -1.94 -0.87 -1.82 119.30 121.19 1ine s MET 34 Ca 0.34 -0.83 0.07 0.00 -1.71 0.00 0.00 55.69 53.56 1ine s MET 34 Cb -0.19 -1.68 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 1ine s MET 34 CO 0.20 0.45 -0.19 0.45 -0.01 0.00 0.00 175.02 175.92 1ine s SER 35 N -0.69 2.27 -0.17 3.03 0.15 0.01 -0.86 113.70 117.44 1ine s SER 35 Ca 0.08 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1ine s SER 35 Cb -0.09 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1ine s SER 35 CO -0.00 0.06 -0.16 0.26 1.20 0.00 0.00 173.24 174.60 1ine s TRP 36 N -1.05 2.79 0.32 3.44 0.52 0.10 -1.28 118.94 123.78 1ine s TRP 36 Ca 0.05 -1.23 0.08 0.00 0.02 0.00 0.00 56.10 55.01 1ine s TRP 36 Cb -0.09 -1.91 -0.06 0.00 -1.15 0.00 0.00 33.47 30.25 1ine s TRP 36 CO 0.03 -0.59 -0.07 0.08 0.02 0.00 0.00 176.95 176.42 1ine s VAL 37 N 1.03 1.95 -0.10 4.03 1.01 -0.56 -0.87 120.40 126.89 1ine s VAL 37 Ca -0.01 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 59.73 1ine s VAL 37 Cb -0.15 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1ine s VAL 37 CO -0.04 -0.22 0.25 0.00 0.00 0.00 0.00 175.10 175.09 1ine s ARG 38 N -3.67 0.27 -0.24 2.72 1.70 0.21 -1.99 118.95 117.94 1ine s ARG 38 Ca 0.32 0.40 -0.05 0.00 -0.47 0.00 0.00 55.73 55.93 1ine s ARG 38 Cb 0.04 0.08 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1ine s ARG 38 CO 0.15 -0.07 -0.01 -1.14 -1.08 0.00 0.00 175.30 173.15 1ine s GLN 39 N 0.41 3.28 0.71 3.89 0.74 -0.62 -0.09 119.66 127.99 1ine s GLN 39 Ca -0.02 -0.70 -0.10 0.00 0.05 0.00 0.00 55.36 54.59 1ine s GLN 39 Cb -0.04 -3.11 0.04 0.00 1.10 0.00 0.00 33.01 31.00 1ine s GLN 39 CO -0.02 -0.27 1.07 0.95 -0.55 0.00 0.00 175.29 176.47 1ine s THR 40 N 1.48 2.85 0.28 -0.34 -4.23 0.64 -0.58 115.64 115.74 1ine s THR 40 Ca 0.04 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1ine s THR 40 Cb -0.15 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.72 1ine s THR 40 CO -0.02 -0.30 1.80 -0.65 -0.54 0.00 0.00 174.62 174.92 1ine h PRO 41 N -0.67 0.79 0.00 3.99 0.11 -1.90 0.24 132.00 134.56 1ine h PRO 41 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ine h PRO 41 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ine h PRO 41 CO 0.63 0.52 0.10 -1.91 -0.21 0.00 0.00 178.00 177.13 1ine n GLU 42 N -4.74 0.00 -2.46 1.05 2.13 -1.26 -4.79 120.64 110.57 1ine n GLU 42 Ca 0.19 0.39 -0.11 0.00 0.66 0.00 0.00 57.16 58.29 1ine n GLU 42 Cb 0.44 -1.60 0.01 0.00 0.27 0.00 0.00 31.44 30.56 1ine n GLU 42 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ine n LYS 43 N -1.39 -1.85 -3.83 5.31 4.01 0.84 -5.05 118.16 116.21 1ine n LYS 43 Ca 0.00 0.50 -0.34 0.00 -0.51 0.00 0.00 58.31 57.96 1ine n LYS 43 Cb 0.10 -4.53 -0.05 0.00 -0.51 0.00 0.00 35.03 30.03 1ine n LYS 43 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1ine s ARG 44 N -4.88 3.51 -0.16 1.97 1.81 -1.25 -4.86 118.95 115.09 1ine s ARG 44 Ca 0.09 -0.19 -0.09 0.00 -1.72 0.00 0.00 55.73 53.82 1ine s ARG 44 Cb -0.04 -3.09 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 1ine s ARG 44 CO 0.11 0.66 0.16 -0.51 -0.68 0.00 0.00 175.30 175.05 1ine s LEU 45 N -1.81 4.29 0.00 2.53 1.43 -1.26 -0.26 118.68 123.60 1ine s LEU 45 Ca 0.27 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1ine s LEU 45 Cb -0.13 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1ine s LEU 45 CO 0.17 0.27 -0.05 -1.61 0.23 0.00 0.00 176.35 175.35 1ine s GLU 46 N -0.22 0.41 0.16 1.70 2.02 0.87 -5.00 118.70 118.63 1ine s GLU 46 Ca 0.12 -0.28 -0.24 0.00 0.02 0.00 0.00 54.97 54.59 1ine s GLU 46 Cb -0.12 -0.35 -0.08 0.00 0.10 0.00 0.00 34.13 33.69 1ine s GLU 46 CO 0.01 0.09 0.75 -0.46 0.02 0.00 0.00 175.26 175.67 1ine s TRP 47 N -0.36 3.89 0.00 1.61 -0.00 -1.26 -0.62 118.94 122.21 1ine s TRP 47 Ca -0.01 1.59 -0.06 0.00 -0.00 0.00 0.00 56.10 57.62 1ine s TRP 47 Cb -0.03 -2.73 -0.02 0.00 -0.00 0.00 0.00 33.47 30.68 1ine s TRP 47 CO -0.00 0.52 -0.11 0.28 -0.00 0.00 0.00 176.95 177.64 1ine n VAL 48 N 1.58 1.27 -3.59 5.86 0.31 -0.05 -4.62 118.33 119.10 1ine n VAL 48 Ca -0.06 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.43 1ine n VAL 48 Cb 0.49 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 1ine n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ine s ALA 49 N -2.29 -1.21 -0.02 3.52 0.00 -0.55 -0.14 121.76 121.07 1ine s ALA 49 Ca -0.10 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.26 1ine s ALA 49 Cb 0.02 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1ine s ALA 49 CO 0.14 -0.55 0.03 0.99 0.00 0.00 0.00 175.76 176.37 1ine s THR 50 N -2.86 -0.04 -0.15 0.00 2.01 0.16 0.02 115.64 114.78 1ine s THR 50 Ca -0.03 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1ine s THR 50 Cb -0.00 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.44 1ine s THR 50 CO -0.05 0.07 -0.16 0.28 -0.69 0.00 0.00 174.62 174.06 1ine s THR 51 N 0.82 2.58 0.62 -0.82 -1.32 -0.04 0.13 115.64 117.62 1ine s THR 51 Ca -0.07 -0.80 -0.09 0.00 -1.21 0.00 0.00 61.69 59.52 1ine s THR 51 Cb -0.10 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.80 1ine s THR 51 CO -0.02 0.52 0.99 -0.76 -2.21 0.00 0.00 174.62 173.13 1ine s LEU 52 N 0.79 3.18 0.00 9.08 1.43 0.23 -2.05 118.68 131.35 1ine s LEU 52 Ca -0.06 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1ine s LEU 52 Cb -0.15 -3.99 0.04 0.00 0.03 0.00 0.00 46.19 42.11 1ine s LEU 52 CO -0.00 -1.02 0.22 -1.54 0.23 0.00 0.00 176.35 174.23 1ine n SER 53 N -2.72 0.08 0.00 2.29 3.41 -1.26 -4.15 113.62 111.26 1ine n SER 53 Ca 0.05 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1ine n SER 53 Cb 0.56 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1ine n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ine n GLY 54 N 3.52 1.75 1.77 5.00 0.00 -1.04 -2.12 105.19 114.07 1ine n GLY 54 Ca 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1ine n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ine n GLY 55 N 0.00 1.20 1.18 -0.02 0.00 -1.26 -4.80 105.19 101.49 1ine n GLY 55 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1ine n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ine n GLY 56 N -0.61 -1.98 3.54 -0.02 0.00 -0.90 -5.05 105.19 100.17 1ine n GLY 56 Ca -0.21 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1ine n GLY 56 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ine n PHE 57 N -2.97 -0.31 -4.41 1.61 3.01 -1.26 -4.45 117.46 108.68 1ine n PHE 57 Ca 0.05 0.26 -0.28 0.00 1.01 0.00 0.00 57.45 58.49 1ine n PHE 57 Cb 0.19 -1.86 -0.17 0.00 -0.01 0.00 0.00 39.48 37.63 1ine n PHE 57 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1ine s THR 58 N -2.50 1.38 -0.09 4.37 -1.32 -1.26 -0.60 115.64 115.63 1ine s THR 58 Ca 0.63 -0.57 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 1ine s THR 58 Cb -0.22 -1.28 -0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1ine s THR 58 CO 0.63 0.42 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.97 1ine s PHE 59 N 1.02 2.80 0.04 9.09 0.08 0.35 -4.95 117.98 126.42 1ine s PHE 59 Ca -0.06 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 56.70 1ine s PHE 59 Cb -0.15 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1ine s PHE 59 CO -0.02 0.04 -0.08 0.71 -0.10 0.00 0.00 175.22 175.78 1ine s TYR 60 N -0.25 2.84 0.63 0.36 2.02 -1.26 0.36 117.35 122.05 1ine s TYR 60 Ca 0.02 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 1ine s TYR 60 Cb -0.13 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1ine s TYR 60 CO 0.03 0.39 1.04 0.45 -1.57 0.00 0.00 175.55 175.89 1ine s SER 61 N -1.75 6.11 0.38 2.29 0.15 0.80 -4.87 113.70 116.81 1ine s SER 61 Ca 0.19 1.42 0.09 0.00 0.70 0.00 0.00 55.95 58.36 1ine s SER 61 Cb -0.11 -2.44 0.75 0.00 -1.71 0.00 0.00 66.02 62.51 1ine s SER 61 CO 0.10 -0.95 1.89 0.00 1.20 0.00 0.00 173.24 175.49 1ine h ALA 62 N -0.37 1.47 0.00 5.45 0.00 -1.92 -1.92 119.26 121.97 1ine h ALA 62 Ca -0.44 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ine h ALA 62 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ine h ALA 62 CO 0.62 0.37 0.00 0.43 0.00 0.00 0.00 179.25 180.67 1ine n SER 63 N -4.25 0.24 0.00 0.00 7.64 -1.26 -3.58 113.62 112.41 1ine n SER 63 Ca -0.01 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1ine n SER 63 Cb 0.29 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1ine n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ine n VAL 64 N -1.77 0.00 -1.60 0.44 0.31 -1.10 -5.05 118.33 109.56 1ine n VAL 64 Ca 0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.90 1ine n VAL 64 Cb 0.16 -0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 1ine n VAL 64 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ine n LYS 65 N -1.77 1.42 0.00 5.55 3.00 -0.74 -2.39 118.16 123.23 1ine n LYS 65 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1ine n LYS 65 Cb 0.29 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.40 1ine n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ine n GLY 66 N 1.36 2.08 0.10 3.14 0.00 -1.26 -4.70 105.19 105.91 1ine n GLY 66 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ine n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ine n ARG 67 N 0.00 0.68 -4.81 1.61 1.74 -1.09 -4.94 116.66 109.86 1ine n ARG 67 Ca 0.00 0.25 -0.33 0.00 -0.77 0.00 0.00 57.85 57.00 1ine n ARG 67 Cb 0.00 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.59 1ine n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ine s PHE 68 N -2.57 2.78 0.04 -1.55 0.40 -1.00 -2.44 117.98 113.63 1ine s PHE 68 Ca -0.13 -0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1ine s PHE 68 Cb 0.07 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1ine s PHE 68 CO 0.80 0.21 -0.16 0.99 0.70 0.00 0.00 175.22 177.76 1ine s THR 69 N -0.71 1.24 0.24 0.64 2.01 -1.15 -4.84 115.64 113.09 1ine s THR 69 Ca 0.11 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.17 1ine s THR 69 Cb -0.11 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1ine s THR 69 CO 0.01 0.08 0.06 -0.51 -0.69 0.00 0.00 174.62 173.56 1ine s ILE 70 N -0.80 3.82 -0.14 1.82 2.07 -1.26 0.90 121.20 127.60 1ine s ILE 70 Ca 0.03 -1.66 -0.31 0.00 -1.41 0.00 0.00 60.65 57.30 1ine s ILE 70 Cb -0.08 -3.03 0.13 0.00 0.13 0.00 0.00 42.46 39.62 1ine s ILE 70 CO 0.01 -0.32 1.08 -0.44 -1.91 0.00 0.00 174.94 173.36 1ine s SER 71 N -3.60 -0.26 0.21 4.50 0.01 -1.00 -4.95 113.70 108.62 1ine s SER 71 Ca 0.31 0.13 0.11 0.00 1.31 0.00 0.00 55.95 57.81 1ine s SER 71 Cb -0.07 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 1ine s SER 71 CO 0.21 -0.34 -0.22 -0.13 0.41 0.00 0.00 173.24 173.16 1ine s ARG 72 N -2.03 1.53 -0.39 12.44 0.52 -1.26 0.65 118.95 130.42 1ine s ARG 72 Ca 0.05 -1.58 0.09 0.00 -0.52 0.00 0.00 55.73 53.77 1ine s ARG 72 Cb -0.01 -1.78 0.28 0.00 0.52 0.00 0.00 34.95 33.97 1ine s ARG 72 CO -0.04 0.37 0.58 -3.47 0.02 0.00 0.00 175.30 172.76 1ine n ASP 73 N 0.05 0.40 -0.31 0.23 -0.08 0.18 -4.89 116.55 112.12 1ine n ASP 73 Ca -0.11 -2.79 0.11 0.00 -1.51 0.00 0.00 54.79 50.49 1ine n ASP 73 Cb 0.57 -0.63 0.24 0.00 2.34 0.00 0.00 41.12 43.63 1ine n ASP 73 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1ine h ASN 74 N 3.70 -0.42 -0.67 1.67 2.35 -1.94 1.16 115.58 121.43 1ine h ASN 74 Ca 0.08 0.24 0.15 0.00 -0.55 0.00 0.00 56.30 56.22 1ine h ASN 74 Cb 0.90 0.43 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 1ine h ASN 74 CO 0.47 -0.27 0.46 0.00 -1.65 0.00 0.00 177.43 176.44 1ine h ALA 75 N 1.87 2.25 -0.24 -0.83 0.00 -1.93 0.31 119.26 120.69 1ine h ALA 75 Ca 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1ine h ALA 75 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ine h ALA 75 CO -0.82 -0.43 0.00 1.04 0.00 0.00 0.00 179.25 179.04 1ine n GLN 76 N -4.44 2.74 -3.97 0.00 6.02 0.35 -4.96 117.38 113.13 1ine n GLN 76 Ca 0.12 -2.48 -0.27 0.00 -0.01 0.00 0.00 57.00 54.37 1ine n GLN 76 Cb 0.55 -1.57 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 1ine n GLN 76 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ine n ASN 77 N -0.29 -0.58 -4.25 1.08 4.05 0.14 -4.87 115.26 110.54 1ine n ASN 77 Ca 0.16 -1.04 -0.20 0.00 0.45 0.00 0.00 54.58 53.95 1ine n ASN 77 Cb 0.68 -2.89 -0.12 0.00 1.23 0.00 0.00 39.78 38.68 1ine n ASN 77 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1ine s ASN 78 N -4.30 2.16 -0.16 1.20 0.01 -0.47 -2.10 114.94 111.29 1ine s ASN 78 Ca 0.04 -0.73 0.01 0.00 -0.71 0.00 0.00 52.86 51.48 1ine s ASN 78 Cb -0.02 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.56 1ine s ASN 78 CO 0.90 -0.05 -0.18 -0.22 -1.51 0.00 0.00 177.10 176.04 1ine s LEU 79 N -2.12 1.97 0.36 0.60 2.96 0.17 0.48 118.68 123.11 1ine s LEU 79 Ca 0.06 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1ine s LEU 79 Cb -0.08 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1ine s LEU 79 CO 0.04 0.00 0.24 -0.31 -1.32 0.00 0.00 176.35 175.00 1ine s TYR 80 N 1.22 2.76 -0.15 5.38 2.02 0.21 0.15 117.35 128.94 1ine s TYR 80 Ca 0.02 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1ine s TYR 80 Cb -0.14 -1.84 0.07 0.00 -0.40 0.00 0.00 41.96 39.66 1ine s TYR 80 CO -0.09 0.18 0.31 -1.17 -1.57 0.00 0.00 175.55 173.21 1ine s LEU 81 N -3.96 -0.41 -0.52 -1.29 2.96 -0.78 -2.38 118.68 112.30 1ine s LEU 81 Ca 0.41 0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 54.86 1ine s LEU 81 Cb -0.03 0.91 0.08 0.00 0.50 0.00 0.00 46.19 47.64 1ine s LEU 81 CO 0.25 -0.24 0.58 -1.58 -1.32 0.00 0.00 176.35 174.04 1ine s GLN 82 N 2.48 3.06 -0.19 1.98 2.00 0.26 0.01 119.66 129.26 1ine s GLN 82 Ca 0.00 -1.17 -0.29 0.00 -2.00 0.00 0.00 55.36 51.90 1ine s GLN 82 Cb -0.12 -4.16 0.00 0.00 0.80 0.00 0.00 33.01 29.53 1ine s GLN 82 CO -0.10 -1.26 1.08 -0.51 -0.50 0.00 0.00 175.29 174.00 1ine s LEU 83 N 2.31 4.14 0.00 3.68 2.01 0.48 -2.91 118.68 128.40 1ine s LEU 83 Ca 0.10 1.47 0.00 0.00 0.01 0.00 0.00 54.13 55.72 1ine s LEU 83 Cb -0.23 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.43 1ine s LEU 83 CO 0.09 -0.65 0.00 0.59 1.01 0.00 0.00 176.35 177.39 1ine n ASN 84 N 6.12 1.59 -3.99 2.29 3.02 -1.02 0.63 115.26 123.90 1ine n ASN 84 Ca 0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.35 1ine n ASN 84 Cb 0.46 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.52 1ine n ASN 84 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ine s SER 85 N -4.48 4.99 0.13 6.41 0.01 -1.26 -3.79 113.70 115.70 1ine s SER 85 Ca 0.00 -3.44 -0.31 0.00 1.31 0.00 0.00 55.95 53.51 1ine s SER 85 Cb 0.00 -1.73 -0.09 0.00 0.21 0.00 0.00 66.02 64.41 1ine s SER 85 CO 0.00 -0.19 1.51 -0.76 0.41 0.00 0.00 173.24 174.21 1ine s LEU 86 N -0.90 4.37 0.24 2.44 1.43 -1.18 -4.82 118.68 120.26 1ine s LEU 86 Ca 0.22 2.47 0.12 0.00 -1.03 0.00 0.00 54.13 55.91 1ine s LEU 86 Cb -0.13 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1ine s LEU 86 CO -0.09 -0.77 -0.22 -0.13 0.23 0.00 0.00 176.35 175.38 1ine s ARG 87 N 1.39 1.59 0.22 1.70 0.52 -1.26 0.11 118.95 123.21 1ine s ARG 87 Ca 0.68 -1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 1ine s ARG 87 Cb -0.40 -1.78 0.28 0.00 0.52 0.00 0.00 34.95 33.57 1ine s ARG 87 CO 0.31 0.36 1.64 0.77 0.02 0.00 0.00 175.30 178.39 1ine h SER 88 N 2.71 -0.45 -1.61 0.23 0.02 -1.95 -1.20 113.55 111.30 1ine h SER 88 Ca -0.43 0.18 0.47 0.00 -0.84 0.00 0.00 61.79 61.17 1ine h SER 88 Cb 1.24 0.34 -0.06 0.00 0.14 0.00 0.00 62.40 64.06 1ine h SER 88 CO 0.54 -0.18 1.19 -0.33 -1.14 0.00 0.00 176.83 176.92 1ine h GLU 89 N 0.05 0.00 0.00 3.45 5.08 -1.97 -1.91 114.58 119.28 1ine h GLU 89 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1ine h GLU 89 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ine h GLU 89 CO -0.61 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 176.96 1ine h ASP 90 N 0.00 0.00 -1.99 1.42 3.32 -1.63 -3.46 116.42 114.08 1ine h ASP 90 Ca 0.76 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 57.18 1ine h ASP 90 Cb 3.13 0.00 0.04 0.00 0.22 0.00 0.00 39.33 42.72 1ine h ASP 90 CO -0.01 0.00 0.86 0.41 -1.72 0.00 0.00 179.24 178.78 1ine n THR 91 N -2.68 0.24 -3.82 0.35 -1.04 -0.72 -4.90 114.28 101.72 1ine n THR 91 Ca 0.04 -0.04 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1ine n THR 91 Cb 0.43 -1.49 0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1ine n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ine s ALA 92 N 2.30 -2.34 -0.38 2.41 0.00 -0.72 -4.51 121.76 118.53 1ine s ALA 92 Ca 0.87 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1ine s ALA 92 Cb -0.78 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1ine s ALA 92 CO 0.48 -1.10 0.24 -1.17 0.00 0.00 0.00 175.76 174.20 1ine s LEU 93 N -3.43 4.82 -0.42 0.00 2.96 0.25 -2.43 118.68 120.44 1ine s LEU 93 Ca 0.22 -0.93 -0.26 0.00 -0.22 0.00 0.00 54.13 52.95 1ine s LEU 93 Cb 0.02 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1ine s LEU 93 CO -0.02 -0.40 0.93 -0.31 -1.32 0.00 0.00 176.35 175.23 1ine s TYR 94 N 1.60 3.00 0.33 5.38 1.51 -1.05 -1.58 117.35 126.53 1ine s TYR 94 Ca 0.03 0.58 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 1ine s TYR 94 Cb -0.19 -3.82 -0.05 0.00 -0.11 0.00 0.00 41.96 37.79 1ine s TYR 94 CO 0.08 -0.97 0.06 -0.06 -1.11 0.00 0.00 175.55 173.55 1ine s PHE 95 N 3.63 2.62 -0.04 2.71 0.40 -0.84 -2.06 117.98 124.39 1ine s PHE 95 Ca 0.38 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1ine s PHE 95 Cb -0.11 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.92 1ine s PHE 95 CO 0.23 0.44 -0.03 0.00 0.70 0.00 0.00 175.22 176.55 1ine s ALA 97 N 1.08 2.49 0.80 0.00 0.00 -0.40 -1.55 121.76 124.19 1ine s ALA 97 Ca -0.09 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1ine s ALA 97 Cb -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1ine s ALA 97 CO -0.01 0.47 0.00 -1.13 0.00 0.00 0.00 175.76 175.09 1ine n SER 98 N 0.50 0.00 -4.71 0.00 3.41 0.01 -0.81 113.62 112.01 1ine n SER 98 Ca -0.14 -0.35 -0.43 0.00 -0.26 0.00 0.00 58.87 57.68 1ine n SER 98 Cb 0.55 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1ine n SER 98 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ine n HIS 99 N -0.63 2.56 -4.26 7.33 -0.00 -0.76 -2.49 115.22 116.97 1ine n HIS 99 Ca 0.00 0.25 -0.35 0.00 -0.00 0.00 0.00 57.72 57.63 1ine n HIS 99 Cb 0.00 -2.57 -0.05 0.00 -0.00 0.00 0.00 29.99 27.37 1ine n HIS 99 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1ine n ARG 100 N 2.75 -2.28 -4.07 1.57 1.74 -1.26 -1.90 116.66 113.21 1ine n ARG 100 Ca 0.12 0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 57.14 1ine n ARG 100 Cb 0.34 -4.64 -0.07 0.00 -1.02 0.00 0.00 32.46 27.07 1ine n ARG 100 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ine n PHE 101 N -4.36 -1.00 0.23 -1.55 3.01 -1.04 -4.84 117.46 107.91 1ine n PHE 101 Ca -0.06 0.57 -0.09 0.00 1.01 0.00 0.00 57.45 58.87 1ine n PHE 101 Cb 0.56 -1.73 -0.04 0.00 -0.01 0.00 0.00 39.48 38.26 1ine n PHE 101 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ine h VAL 102 N -0.86 0.00 -2.75 -4.37 2.07 -1.56 -3.44 116.25 105.34 1ine h VAL 102 Ca -0.52 -0.26 -0.65 0.00 0.82 0.00 0.00 66.70 66.09 1ine h VAL 102 Cb 1.17 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1ine h VAL 102 CO 0.73 0.00 -0.42 -1.00 0.02 0.00 0.00 177.57 176.89 1ine s HIS 103 N -3.75 3.61 -0.01 1.57 3.76 -1.26 -4.97 115.29 114.24 1ine s HIS 103 Ca -0.09 0.60 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 1ine s HIS 103 Cb 0.01 -1.99 -0.00 0.00 1.11 0.00 0.00 32.58 31.70 1ine s HIS 103 CO 0.27 0.70 -0.07 -1.58 -0.85 0.00 0.00 174.74 173.21 1ine s TRP 104 N -1.09 0.70 0.57 1.40 0.52 -1.26 -0.81 118.94 118.97 1ine s TRP 104 Ca 0.19 -0.14 -0.02 0.00 0.02 0.00 0.00 56.10 56.14 1ine s TRP 104 Cb -0.13 -0.48 0.03 0.00 -1.15 0.00 0.00 33.47 31.74 1ine s TRP 104 CO 0.08 -0.04 0.83 0.20 0.02 0.00 0.00 176.95 178.05 1ine s GLY 105 N -0.02 1.69 0.11 0.98 0.00 -0.59 -4.74 107.32 104.75 1ine s GLY 105 Ca 0.01 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.78 1ine s GLY 105 CO -0.00 -0.74 1.27 -2.39 0.00 0.00 0.00 173.10 171.23 1ine n HIS 106 N -2.47 0.27 0.00 1.90 1.44 -1.24 -4.67 115.22 110.45 1ine n HIS 106 Ca 0.06 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1ine n HIS 106 Cb 0.59 -0.72 0.00 0.00 0.12 0.00 0.00 29.99 29.98 1ine n HIS 106 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ine n GLY 107 N -1.29 -0.43 3.30 -1.39 0.00 -1.26 -5.02 105.19 99.10 1ine n GLY 107 Ca -0.00 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.31 1ine n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ine s THR 108 N -2.23 -0.95 0.05 2.61 -4.23 -0.88 -4.70 115.64 105.31 1ine s THR 108 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.21 1ine s THR 108 Cb 0.00 -0.97 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 1ine s THR 108 CO 0.00 -0.01 1.28 -0.22 -0.54 0.00 0.00 174.62 175.14 1ine s LEU 109 N 2.83 4.35 -0.06 4.79 2.96 -1.26 -2.54 118.68 129.75 1ine s LEU 109 Ca 0.10 2.08 0.05 0.00 -0.22 0.00 0.00 54.13 56.14 1ine s LEU 109 Cb -0.14 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 1ine s LEU 109 CO -0.19 -0.58 -0.19 0.68 -1.32 0.00 0.00 176.35 174.75 1ine s VAL 110 N 1.48 2.59 -0.11 1.68 -7.23 -1.02 -2.45 120.40 115.33 1ine s VAL 110 Ca 0.61 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1ine s VAL 110 Cb -0.31 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1ine s VAL 110 CO 0.28 0.57 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.69 1ine s THR 111 N -0.38 0.96 -0.69 5.32 2.01 -1.14 -1.75 115.64 119.97 1ine s THR 111 Ca 0.03 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 1ine s THR 111 Cb -0.12 -1.01 0.10 0.00 0.01 0.00 0.00 72.50 71.48 1ine s THR 111 CO 0.02 0.33 0.86 -0.69 -0.69 0.00 0.00 174.62 174.45 1ine s VAL 112 N 1.73 4.69 0.24 3.82 1.01 -1.26 -0.87 120.40 129.76 1ine s VAL 112 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1ine s VAL 112 Cb -0.13 -4.60 -0.02 0.00 0.00 0.00 0.00 36.38 31.63 1ine s VAL 112 CO -0.08 -1.29 0.21 -0.24 0.00 0.00 0.00 175.10 173.70 1ine n SER 113 N 6.67 -0.53 0.00 3.32 2.88 0.11 -4.76 113.62 121.32 1ine n SER 113 Ca -0.01 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.98 1ine n SER 113 Cb 0.45 1.22 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 1ine n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ine n ALA 114 N -1.37 -0.11 -3.61 -1.46 0.00 -1.26 -4.02 120.51 108.69 1ine n ALA 114 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1ine n ALA 114 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 1ine n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ine s LYS 115 N -1.34 0.33 0.31 0.00 2.20 -1.26 -4.96 119.74 115.02 1ine s LYS 115 Ca 0.00 -0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.17 1ine s LYS 115 Cb 0.00 0.13 -0.12 0.00 -1.51 0.00 0.00 37.83 36.34 1ine s LYS 115 CO 0.00 -0.15 1.57 2.41 -0.36 0.00 0.00 175.35 178.82 1ine n THR 116 N -0.23 1.24 -3.67 3.43 -1.04 -1.26 -4.73 114.28 108.03 1ine n THR 116 Ca -0.03 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.05 61.57 1ine n THR 116 Cb 0.60 -1.96 -0.08 0.00 -1.82 0.00 0.00 70.33 67.07 1ine n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ine s THR 117 N -0.26 -0.01 0.38 12.58 2.01 0.94 -4.92 115.64 126.37 1ine s THR 117 Ca 0.62 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.39 1ine s THR 117 Cb -0.49 -0.84 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 1ine s THR 117 CO 0.52 0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.39 1ine s PRO 118 N 1.11 4.20 0.40 4.92 0.04 -1.26 -0.22 135.00 144.20 1ine s PRO 118 Ca -0.06 1.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 1ine s PRO 118 Cb -0.06 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1ine s PRO 118 CO -0.11 -0.14 1.11 -1.25 0.04 0.00 0.00 177.00 176.65 1ine s PRO 119 N -2.27 4.08 -0.29 0.56 0.04 -1.26 -4.64 135.00 131.21 1ine s PRO 119 Ca 0.56 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 1ine s PRO 119 Cb -0.26 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1ine s PRO 119 CO 0.33 -0.25 0.14 -1.12 0.04 0.00 0.00 177.00 176.14 1ine s SER 120 N -1.37 5.51 -0.03 6.66 0.01 0.09 -4.96 113.70 119.61 1ine s SER 120 Ca 0.58 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 57.37 1ine s SER 120 Cb -0.26 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1ine s SER 120 CO 0.33 -0.14 0.24 -0.69 0.41 0.00 0.00 173.24 173.38 1ine s VAL 121 N 1.63 5.34 -0.04 3.43 1.01 -1.26 0.07 120.40 130.58 1ine s VAL 121 Ca 0.05 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1ine s VAL 121 Cb -0.17 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1ine s VAL 121 CO 0.06 0.45 -0.02 -0.31 0.00 0.00 0.00 175.10 175.28 1ine s TYR 122 N -1.21 0.55 -0.06 5.22 2.02 -0.53 -4.96 117.35 118.37 1ine s TYR 122 Ca 0.24 -0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.57 1ine s TYR 122 Cb -0.13 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 1ine s TYR 122 CO 0.13 -0.18 0.82 -1.25 -1.57 0.00 0.00 175.55 173.50 1ine s PRO 123 N 1.07 4.46 -0.29 -1.71 0.05 -1.26 0.96 135.00 138.27 1ine s PRO 123 Ca -0.09 1.08 -0.05 0.00 0.05 0.00 0.00 61.00 61.99 1ine s PRO 123 Cb -0.14 -3.47 0.02 0.00 0.05 0.00 0.00 34.50 30.96 1ine s PRO 123 CO -0.01 -0.04 0.05 -0.51 0.05 0.00 0.00 177.00 176.54 1ine s LEU 124 N 1.09 3.75 0.01 -3.56 1.43 -0.08 -4.90 118.68 116.42 1ine s LEU 124 Ca 0.42 -0.80 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1ine s LEU 124 Cb -0.19 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ine s LEU 124 CO 0.20 -0.19 -0.25 0.00 0.23 0.00 0.00 176.35 176.35 1ine s ALA 125 N 1.44 2.07 0.29 4.21 0.00 -1.26 -1.64 121.76 126.88 1ine s ALA 125 Ca 0.01 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1ine s ALA 125 Cb -0.17 -0.49 -0.13 0.00 0.00 0.00 0.00 23.12 22.33 1ine s ALA 125 CO 0.01 0.50 1.30 -0.35 0.00 0.00 0.00 175.76 177.22 1ine n PRO 126 N 2.21 1.98 -2.32 0.00 -0.04 -1.26 -4.90 135.00 130.67 1ine n PRO 126 Ca -0.16 0.70 -0.40 0.00 -0.04 0.00 0.00 63.50 63.60 1ine n PRO 126 Cb 0.52 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1ine n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ine s GLY 127 N -0.11 0.58 -1.17 0.55 0.00 -1.26 -4.15 107.32 101.77 1ine s GLY 127 Ca 0.61 -1.08 -0.26 0.00 0.00 0.00 0.00 44.72 43.99 1ine s GLY 127 CO 0.57 3.00 0.49 -1.26 0.00 0.00 0.00 173.10 175.89 1ine n SER 128 N 10.90 -2.75 -4.76 1.64 2.88 -1.26 -4.89 113.62 115.38 1ine n SER 128 Ca 0.12 -1.19 -0.29 0.00 -1.33 0.00 0.00 58.87 56.18 1ine n SER 128 Cb 0.50 -1.43 0.15 0.00 -0.75 0.00 0.00 64.21 62.68 1ine n SER 128 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ine s ALA 129 N -3.79 1.55 0.07 -1.46 0.00 -1.26 -5.12 121.76 111.74 1ine s ALA 129 Ca 0.36 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1ine s ALA 129 Cb -0.20 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1ine s ALA 129 CO 0.89 -2.43 0.06 0.00 0.00 0.00 0.00 175.76 174.28 1ine n ALA 130 N -3.88 0.12 -3.29 0.00 0.00 -1.26 -5.15 120.51 107.05 1ine n ALA 130 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 1ine n ALA 130 Cb 0.59 0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.10 1ine n ALA 130 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ine s GLN 131 N -2.30 0.73 0.06 0.00 0.00 -1.26 -4.88 119.66 112.01 1ine s GLN 131 Ca 0.05 -0.63 -0.29 0.00 -0.00 0.00 0.00 55.36 54.49 1ine s GLN 131 Cb -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 33.01 32.46 1ine s GLN 131 CO 0.03 -1.20 1.57 1.15 0.00 0.00 0.00 175.29 176.85 1ine h THR 132 N 5.01 0.59 -0.59 3.63 2.02 -2.02 -2.91 112.91 118.63 1ine h THR 132 Ca 0.05 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1ine h THR 132 Cb 1.11 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1ine h THR 132 CO 0.15 0.02 0.00 0.59 0.37 0.00 0.00 175.52 176.66 1ine n ASN 133 N -5.31 4.49 -2.53 4.18 3.02 -1.26 -4.89 115.26 112.96 1ine n ASN 133 Ca -0.11 -2.45 -0.20 0.00 -0.03 0.00 0.00 54.58 51.79 1ine n ASN 133 Cb 0.26 -0.57 -0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1ine n ASN 133 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ine n SER 134 N 0.98 -5.67 -3.98 6.41 2.88 -1.10 -4.91 113.62 108.22 1ine n SER 134 Ca 0.24 -0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.48 1ine n SER 134 Cb 0.85 -4.70 -0.17 0.00 -0.75 0.00 0.00 64.21 59.44 1ine n SER 134 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1ine s MET 135 N -5.18 1.62 -0.01 -1.46 0.00 -1.26 0.73 119.30 113.74 1ine s MET 135 Ca 0.06 -0.36 0.06 0.00 0.00 0.00 0.00 55.69 55.46 1ine s MET 135 Cb -0.03 -1.44 -0.02 0.00 0.00 0.00 0.00 34.83 33.34 1ine s MET 135 CO 0.08 -0.07 -0.20 0.54 0.00 0.00 0.00 175.02 175.37 1ine s VAL 136 N 0.99 1.56 -0.18 10.11 0.11 0.29 -4.35 120.40 128.92 1ine s VAL 136 Ca -0.09 -0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1ine s VAL 136 Cb -0.15 -1.30 -0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1ine s VAL 136 CO -0.00 0.42 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.21 1ine s THR 137 N -0.48 3.13 0.21 5.04 2.01 -1.26 -0.10 115.64 124.18 1ine s THR 137 Ca 0.08 -0.60 0.11 0.00 0.31 0.00 0.00 61.69 61.59 1ine s THR 137 Cb -0.08 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1ine s THR 137 CO -0.01 0.48 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.44 1ine s LEU 138 N 1.01 2.59 0.00 4.42 1.43 -0.62 -4.49 118.68 123.02 1ine s LEU 138 Ca -0.01 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 1ine s LEU 138 Cb -0.15 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1ine s LEU 138 CO -0.01 0.10 0.34 0.61 0.23 0.00 0.00 176.35 177.62 1ine n GLY 139 N 0.02 2.62 2.93 -3.19 0.00 -0.65 -1.20 105.19 105.73 1ine n GLY 139 Ca -0.11 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 1ine n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ine s LEU 141 N 1.58 5.53 -0.94 0.00 2.96 0.27 -2.62 118.68 125.46 1ine s LEU 141 Ca -0.05 -1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 52.33 1ine s LEU 141 Cb -0.12 -2.16 0.09 0.00 0.50 0.00 0.00 46.19 44.51 1ine s LEU 141 CO -0.07 -0.62 1.25 -0.69 -1.32 0.00 0.00 176.35 174.91 1ine s VAL 142 N 1.62 4.33 0.15 1.68 1.01 -0.89 -1.46 120.40 126.84 1ine s VAL 142 Ca 0.04 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1ine s VAL 142 Cb -0.24 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.21 1ine s VAL 142 CO 0.06 -1.69 0.11 -0.75 0.00 0.00 0.00 175.10 172.83 1ine s LYS 143 N 3.83 2.84 -1.40 2.72 2.20 0.11 -1.59 119.74 128.44 1ine s LYS 143 Ca 0.37 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 55.06 1ine s LYS 143 Cb -0.04 -2.63 0.04 0.00 -1.51 0.00 0.00 37.83 33.69 1ine s LYS 143 CO -0.07 0.50 0.86 0.41 -0.36 0.00 0.00 175.35 176.68 1ine n GLY 144 N -0.15 -0.39 3.92 5.54 0.00 -0.85 -0.73 105.19 112.53 1ine n GLY 144 Ca -0.09 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1ine n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ine s TYR 145 N -3.49 3.50 -0.25 1.61 1.13 -1.23 -4.58 117.35 114.05 1ine s TYR 145 Ca 0.32 0.28 -0.10 0.00 -1.41 0.00 0.00 57.07 56.17 1ine s TYR 145 Cb -0.16 -1.79 0.10 0.00 -1.10 0.00 0.00 41.96 39.01 1ine s TYR 145 CO 0.81 0.54 0.55 0.12 -2.51 0.00 0.00 175.55 175.06 1ine s PHE 146 N -1.60 -1.04 0.16 -3.49 5.36 0.70 -1.28 117.98 116.80 1ine s PHE 146 Ca 0.36 1.92 0.01 0.00 -0.96 0.00 0.00 56.93 58.26 1ine s PHE 146 Cb -0.12 0.55 0.03 0.00 -0.34 0.00 0.00 43.02 43.14 1ine s PHE 146 CO 0.28 -0.55 0.22 -0.35 -1.46 0.00 0.00 175.22 173.36 1ine n PRO 147 N 5.13 0.58 -2.05 10.12 -0.04 -1.26 -0.04 135.00 147.44 1ine n PRO 147 Ca -0.13 -0.66 -0.28 0.00 -0.04 0.00 0.00 63.50 62.38 1ine n PRO 147 Cb 0.51 -0.13 0.06 0.00 -0.04 0.00 0.00 33.50 33.91 1ine n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ine s GLU 148 N -2.91 2.48 0.35 0.54 0.41 -1.26 -4.86 118.70 113.45 1ine s GLU 148 Ca 0.15 0.13 0.01 0.00 -0.41 0.00 0.00 54.97 54.86 1ine s GLU 148 Cb -0.01 -2.08 0.07 0.00 -1.78 0.00 0.00 34.13 30.33 1ine s GLU 148 CO 0.10 -1.18 0.48 -0.35 -0.49 0.00 0.00 175.26 173.83 1ine n PRO 149 N -3.00 0.40 -4.12 0.39 -0.04 -1.26 -4.90 135.00 122.47 1ine n PRO 149 Ca 0.07 -1.44 -0.11 0.00 -0.04 0.00 0.00 63.50 61.98 1ine n PRO 149 Cb 0.59 -0.28 -0.11 0.00 -0.04 0.00 0.00 33.50 33.67 1ine n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ine s VAL 150 N -1.28 0.56 -0.13 0.52 0.11 -1.26 -4.33 120.40 114.59 1ine s VAL 150 Ca 0.33 -1.59 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1ine s VAL 150 Cb -0.02 -1.24 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1ine s VAL 150 CO 0.22 -0.70 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.27 1ine s THR 151 N -2.80 1.41 -0.09 5.04 2.01 0.38 -4.97 115.64 116.62 1ine s THR 151 Ca 0.03 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1ine s THR 151 Cb -0.00 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1ine s THR 151 CO -0.03 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.47 1ine s VAL 152 N 1.46 1.57 0.03 3.82 1.01 -1.26 -0.67 120.40 126.37 1ine s VAL 152 Ca 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1ine s VAL 152 Cb -0.13 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1ine s VAL 152 CO -0.09 0.45 -0.03 0.42 0.00 0.00 0.00 175.10 175.86 1ine s THR 153 N 0.68 0.16 -0.13 3.92 -4.23 -0.36 -5.01 115.64 110.68 1ine s THR 153 Ca -0.13 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1ine s THR 153 Cb -0.16 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.78 1ine s THR 153 CO 0.03 -0.75 -0.13 0.26 -0.54 0.00 0.00 174.62 173.50 1ine s TRP 154 N -2.68 2.82 -1.71 3.99 0.52 -1.26 -0.58 118.94 120.04 1ine s TRP 154 Ca -0.05 -0.65 -0.13 0.00 0.02 0.00 0.00 56.10 55.29 1ine s TRP 154 Cb -0.01 -1.85 0.13 0.00 -1.15 0.00 0.00 33.47 30.58 1ine s TRP 154 CO -0.05 -0.22 0.41 0.09 0.02 0.00 0.00 176.95 177.20 1ine n ASN 155 N 3.56 -1.00 -3.29 2.95 4.13 0.07 -1.99 115.26 119.70 1ine n ASN 155 Ca -0.18 -1.20 -0.11 0.00 1.68 0.00 0.00 54.58 54.76 1ine n ASN 155 Cb 0.53 -1.91 0.00 0.00 -1.54 0.00 0.00 39.78 36.86 1ine n ASN 155 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ine n SER 156 N -2.68 -1.52 0.00 6.41 3.41 -1.26 -1.64 113.62 116.34 1ine n SER 156 Ca -0.07 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1ine n SER 156 Cb 0.56 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1ine n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ine n GLY 157 N -1.06 3.02 0.32 5.00 0.00 -0.84 -4.91 105.19 106.73 1ine n GLY 157 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 1ine n GLY 157 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ine n SER 158 N 0.24 -0.67 -4.58 1.61 7.64 -0.65 -2.97 113.62 114.23 1ine n SER 158 Ca 0.00 1.41 -0.41 0.00 1.01 0.00 0.00 58.87 60.88 1ine n SER 158 Cb 0.00 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 1ine n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ine s LEU 159 N -10.19 4.22 0.07 -3.43 1.43 -1.02 -4.76 118.68 104.99 1ine s LEU 159 Ca -0.10 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1ine s LEU 159 Cb 0.13 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1ine s LEU 159 CO 0.54 -0.44 0.00 -1.54 0.23 0.00 0.00 176.35 175.13 1ine n SER 160 N 5.75 0.64 -4.83 2.29 3.41 -1.16 -4.14 113.62 115.59 1ine n SER 160 Ca -0.04 0.10 -0.34 0.00 -0.26 0.00 0.00 58.87 58.33 1ine n SER 160 Cb 0.49 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1ine n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ine s SER 161 N -5.58 6.93 0.00 4.04 1.04 -1.26 -3.81 113.70 115.06 1ine s SER 161 Ca 0.00 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1ine s SER 161 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1ine s SER 161 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1ine n GLY 162 N -0.09 2.80 3.74 7.32 0.00 -1.26 -4.73 105.19 112.98 1ine n GLY 162 Ca 0.03 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1ine n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ine s VAL 163 N -2.67 2.64 -0.27 1.61 1.01 -1.25 -3.69 120.40 117.79 1ine s VAL 163 Ca 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1ine s VAL 163 Cb 0.00 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.14 1ine s VAL 163 CO 0.00 0.08 0.12 -1.00 0.00 0.00 0.00 175.10 174.30 1ine s HIS 164 N 0.14 0.36 -0.19 5.22 3.76 -0.20 -4.98 115.29 119.40 1ine s HIS 164 Ca 0.61 -0.84 -0.12 0.00 -0.15 0.00 0.00 55.06 54.56 1ine s HIS 164 Cb -0.42 -0.90 -0.05 0.00 1.11 0.00 0.00 32.58 32.32 1ine s HIS 164 CO 0.42 -0.79 0.23 0.99 -0.85 0.00 0.00 174.74 174.74 1ine s THR 165 N 2.09 5.34 0.12 1.30 2.01 -1.26 -2.23 115.64 123.00 1ine s THR 165 Ca 0.08 0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1ine s THR 165 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ine s THR 165 CO -0.33 0.39 0.25 -0.36 -0.69 0.00 0.00 174.62 173.88 1ine s PHE 166 N 0.57 3.48 0.70 4.92 0.40 -0.81 -5.03 117.98 122.21 1ine s PHE 166 Ca 0.13 0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.45 1ine s PHE 166 Cb -0.12 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1ine s PHE 166 CO 0.02 0.54 1.24 -1.25 0.70 0.00 0.00 175.22 176.48 1ine s PRO 167 N -2.95 2.26 0.90 0.24 0.04 -1.26 -4.35 135.00 129.88 1ine s PRO 167 Ca 0.34 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1ine s PRO 167 Cb -0.12 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1ine s PRO 167 CO 0.28 -1.77 1.10 0.00 0.04 0.00 0.00 177.00 176.65 1ine s ALA 168 N -1.74 1.63 -0.06 8.56 0.00 -1.26 -4.75 121.76 124.14 1ine s ALA 168 Ca 0.78 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1ine s ALA 168 Cb -0.33 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1ine s ALA 168 CO 0.43 -2.29 0.10 0.08 0.00 0.00 0.00 175.76 174.08 1ine s VAL 169 N -3.05 -0.17 -0.15 0.00 1.01 -0.76 -4.97 120.40 112.30 1ine s VAL 169 Ca 0.63 0.40 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 1ine s VAL 169 Cb -0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1ine s VAL 169 CO 0.56 0.17 0.62 -0.22 0.00 0.00 0.00 175.10 176.22 1ine s LEU 170 N 2.22 4.21 0.09 3.92 0.20 -1.26 -0.74 118.68 127.31 1ine s LEU 170 Ca 0.04 0.91 0.00 0.00 0.69 0.00 0.00 54.13 55.77 1ine s LEU 170 Cb -0.12 -2.90 0.00 0.00 -0.43 0.00 0.00 46.19 42.74 1ine s LEU 170 CO -0.04 -0.19 0.00 1.21 -0.29 0.00 0.00 176.35 177.04 1ine n GLU 171 N 4.53 0.00 -3.32 1.98 2.13 -0.66 -4.92 120.64 120.38 1ine n GLU 171 Ca -0.02 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.46 1ine n GLU 171 Cb 0.50 -0.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.96 1ine n GLU 171 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ine n SER 172 N -3.06 4.68 -1.87 4.31 2.88 -1.26 -4.75 113.62 114.55 1ine n SER 172 Ca 0.00 -3.40 -0.19 0.00 -1.33 0.00 0.00 58.87 53.95 1ine n SER 172 Cb 0.00 -0.91 -0.05 0.00 -0.75 0.00 0.00 64.21 62.50 1ine n SER 172 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ine n ASP 173 N 1.18 -5.15 -3.87 -3.46 8.00 -1.26 -4.96 116.55 107.02 1ine n ASP 173 Ca 0.28 0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.97 1ine n ASP 173 Cb 0.38 -4.48 -0.11 0.00 -0.02 0.00 0.00 41.12 36.89 1ine n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ine s LEU 174 N -5.04 1.58 0.78 0.64 1.43 -1.26 -4.56 118.68 112.26 1ine s LEU 174 Ca 0.00 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1ine s LEU 174 Cb 0.00 0.57 0.08 0.00 0.03 0.00 0.00 46.19 46.87 1ine s LEU 174 CO 0.00 -0.27 1.14 -0.31 0.23 0.00 0.00 176.35 177.13 1ine s TYR 175 N -0.98 2.92 -0.14 0.29 1.51 -0.40 -1.66 117.35 118.89 1ine s TYR 175 Ca -0.11 0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 56.57 1ine s TYR 175 Cb -0.06 -3.43 0.07 0.00 -0.11 0.00 0.00 41.96 38.43 1ine s TYR 175 CO 0.01 -1.69 0.24 0.99 -1.11 0.00 0.00 175.55 173.99 1ine s THR 176 N -3.49 -0.38 0.26 -0.71 2.01 0.08 -2.00 115.64 111.41 1ine s THR 176 Ca 0.62 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.92 1ine s THR 176 Cb -0.11 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1ine s THR 176 CO 0.48 0.07 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.15 1ine s LEU 177 N 2.39 2.54 0.00 4.42 0.20 -0.62 -1.84 118.68 125.78 1ine s LEU 177 Ca 0.03 -1.12 -0.14 0.00 0.69 0.00 0.00 54.13 53.59 1ine s LEU 177 Cb -0.13 -0.74 0.02 0.00 -0.43 0.00 0.00 46.19 44.91 1ine s LEU 177 CO -0.09 -0.23 0.29 -0.55 -0.29 0.00 0.00 176.35 175.48 1ine s SER 178 N -3.43 -0.14 0.11 3.68 0.15 -1.26 -2.09 113.70 110.71 1ine s SER 178 Ca 0.28 -0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.77 1ine s SER 178 Cb 0.01 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1ine s SER 178 CO 0.11 -0.49 0.31 -0.55 1.20 0.00 0.00 173.24 173.82 1ine s SER 179 N -1.56 -0.08 0.26 5.45 0.15 -1.08 -1.92 113.70 114.92 1ine s SER 179 Ca -0.11 -0.47 -0.19 0.00 0.70 0.00 0.00 55.95 55.88 1ine s SER 179 Cb -0.04 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1ine s SER 179 CO 0.02 -0.80 0.63 -0.94 1.20 0.00 0.00 173.24 173.35 1ine s SER 180 N -2.83 -0.23 0.03 5.45 1.04 -0.95 -2.18 113.70 114.03 1ine s SER 180 Ca 0.04 -0.65 -0.11 0.00 0.48 0.00 0.00 55.95 55.72 1ine s SER 180 Cb 0.03 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.83 1ine s SER 180 CO -0.11 -1.25 0.22 0.54 0.98 0.00 0.00 173.24 173.62 1ine s VAL 181 N -3.93 0.09 -0.08 5.02 0.11 -0.34 -1.04 120.40 120.23 1ine s VAL 181 Ca 0.13 -0.78 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1ine s VAL 181 Cb -0.04 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1ine s VAL 181 CO 0.06 -0.43 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.47 1ine s THR 182 N -2.22 0.64 0.16 5.04 2.01 -1.24 -1.59 115.64 118.44 1ine s THR 182 Ca -0.08 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 61.95 1ine s THR 182 Cb -0.03 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1ine s THR 182 CO -0.02 0.29 -0.19 0.68 -0.69 0.00 0.00 174.62 174.69 1ine s VAL 183 N 1.62 2.69 0.62 3.82 -7.23 0.85 -4.77 120.40 118.01 1ine s VAL 183 Ca 0.01 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 1ine s VAL 183 Cb -0.13 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1ine s VAL 183 CO -0.05 -0.03 1.25 -2.84 -0.31 0.00 0.00 175.10 173.12 1ine s PRO 184 N -2.49 2.79 0.00 4.82 0.02 -1.26 0.11 135.00 138.98 1ine s PRO 184 Ca 0.20 1.93 0.10 0.00 0.02 0.00 0.00 61.00 63.25 1ine s PRO 184 Cb -0.09 -1.89 0.59 0.00 0.02 0.00 0.00 34.50 33.13 1ine s PRO 184 CO 0.11 -1.38 1.02 -1.13 -0.33 0.00 0.00 177.00 175.29 1ine n SER 185 N -1.73 0.00 0.02 2.53 3.41 0.22 -2.65 113.62 115.43 1ine n SER 185 Ca 0.15 -0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 58.38 1ine n SER 185 Cb 0.49 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1ine n SER 185 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ine h SER 186 N 0.00 -0.06 -0.85 4.04 0.87 -1.88 -3.37 113.55 112.30 1ine h SER 186 Ca 0.00 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1ine h SER 186 Cb 0.00 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 1ine h SER 186 CO 0.00 -0.00 0.43 -0.65 -0.53 0.00 0.00 176.83 176.08 1ine h PRO 187 N -0.15 0.58 -6.39 2.24 0.11 -1.87 -3.38 132.00 123.13 1ine h PRO 187 Ca -0.01 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.38 1ine h PRO 187 Cb 0.05 -0.13 -0.24 0.00 0.11 0.00 0.00 31.00 30.79 1ine h PRO 187 CO 0.01 0.38 -0.79 0.50 -0.21 0.00 0.00 178.00 177.89 1ine s ARG 188 N -5.96 2.41 0.00 1.05 3.00 -1.25 0.14 118.95 118.33 1ine s ARG 188 Ca -0.12 -0.76 0.31 0.00 -1.00 0.00 0.00 55.73 54.16 1ine s ARG 188 Cb 0.22 -2.32 1.62 0.00 0.00 0.00 0.00 34.95 34.47 1ine s ARG 188 CO 0.78 0.61 2.10 -0.35 0.00 0.00 0.00 175.30 178.43 1ine n PRO 189 N 2.23 0.57 -0.13 5.12 -0.05 -1.26 -4.71 135.00 136.77 1ine n PRO 189 Ca -0.17 -0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.15 1ine n PRO 189 Cb 0.52 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.38 1ine n PRO 189 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 1ine h SER 190 N 0.01 -1.72 -2.12 3.54 0.02 -1.73 -3.41 113.55 108.13 1ine h SER 190 Ca 0.00 0.22 -0.50 0.00 -0.84 0.00 0.00 61.79 60.68 1ine h SER 190 Cb 0.22 0.70 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 1ine h SER 190 CO 0.00 -0.37 -0.50 -0.70 -1.14 0.00 0.00 176.83 174.12 1ine s GLU 191 N -5.42 2.94 0.14 3.45 2.12 0.37 -5.11 118.70 117.18 1ine s GLU 191 Ca -0.13 -1.07 0.04 0.00 0.36 0.00 0.00 54.97 54.16 1ine s GLU 191 Cb 0.08 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1ine s GLU 191 CO 0.56 0.34 0.18 0.95 -0.54 0.00 0.00 175.26 176.75 1ine s THR 192 N -2.15 4.79 -0.18 -1.70 -4.23 -1.26 -4.22 115.64 106.69 1ine s THR 192 Ca 0.35 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1ine s THR 192 Cb -0.08 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.35 1ine s THR 192 CO 0.26 -0.06 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.41 1ine s VAL 193 N -1.69 2.26 0.01 2.29 1.01 -1.26 -5.00 120.40 118.01 1ine s VAL 193 Ca 0.32 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1ine s VAL 193 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1ine s VAL 193 CO 0.25 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.76 1ine s THR 194 N 1.26 1.82 -0.23 3.92 2.01 -1.26 -1.38 115.64 121.78 1ine s THR 194 Ca 0.04 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 1ine s THR 194 Cb -0.13 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1ine s THR 194 CO -0.10 0.41 -0.07 0.00 -0.69 0.00 0.00 174.62 174.17 1ine s ASN 196 N 1.36 6.18 -0.15 0.00 -0.87 0.25 -2.21 114.94 119.51 1ine s ASN 196 Ca 0.02 -1.40 -0.03 0.00 -1.57 0.00 0.00 52.86 49.88 1ine s ASN 196 Cb -0.16 -2.24 -0.02 0.00 -0.02 0.00 0.00 41.25 38.81 1ine s ASN 196 CO -0.05 -0.85 -0.06 0.54 -2.57 0.00 0.00 177.10 174.11 1ine s VAL 197 N 2.03 3.69 -0.05 1.60 0.11 -0.57 -1.22 120.40 125.99 1ine s VAL 197 Ca 0.07 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1ine s VAL 197 Cb -0.25 -2.60 0.02 0.00 -1.53 0.00 0.00 36.38 32.02 1ine s VAL 197 CO 0.07 0.50 -0.03 0.00 -3.33 0.00 0.00 175.10 172.30 1ine s ALA 198 N 0.40 0.67 -0.85 1.54 0.00 0.15 -1.31 121.76 122.36 1ine s ALA 198 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 1ine s ALA 198 Cb -0.15 -0.50 0.21 0.00 0.00 0.00 0.00 23.12 22.69 1ine s ALA 198 CO 0.03 -0.13 0.74 -1.58 0.00 0.00 0.00 175.76 174.82 1ine s HIS 199 N 1.18 3.80 0.16 0.00 2.46 -0.94 -0.47 115.29 121.48 1ine s HIS 199 Ca -0.07 -2.74 -0.17 0.00 0.47 0.00 0.00 55.06 52.55 1ine s HIS 199 Cb -0.14 -3.41 0.08 0.00 -0.13 0.00 0.00 32.58 28.99 1ine s HIS 199 CO -0.01 -0.84 1.67 -1.00 -2.47 0.00 0.00 174.74 172.09 1ine h PRO 200 N 6.65 -0.01 -0.34 2.88 0.13 -1.78 -0.01 132.00 139.52 1ine h PRO 200 Ca 0.11 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1ine h PRO 200 Cb 0.89 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 1ine h PRO 200 CO 0.82 -0.01 -0.32 0.00 -0.23 0.00 0.00 178.00 178.27 1ine h ALA 201 N 1.36 -0.48 0.00 -0.56 0.00 -1.90 0.14 119.26 117.82 1ine h ALA 201 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ine h ALA 201 Cb 0.29 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ine h ALA 201 CO -0.40 -0.66 0.00 -1.13 0.00 0.00 0.00 179.25 177.06 1ine n SER 202 N -4.21 0.60 -3.30 0.00 3.41 -0.91 -4.85 113.62 104.35 1ine n SER 202 Ca -0.01 0.74 -0.17 0.00 -0.26 0.00 0.00 58.87 59.17 1ine n SER 202 Cb 0.18 -0.83 0.08 0.00 -0.26 0.00 0.00 64.21 63.37 1ine n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ine n SER 203 N -2.27 -2.68 -4.66 4.04 7.64 0.50 -4.99 113.62 111.21 1ine n SER 203 Ca -0.01 -0.57 -0.35 0.00 1.01 0.00 0.00 58.87 58.96 1ine n SER 203 Cb 0.08 -4.83 -0.10 0.00 -1.01 0.00 0.00 64.21 58.36 1ine n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ine s THR 204 N -3.33 4.52 -0.03 0.44 2.01 -0.99 -5.03 115.64 113.24 1ine s THR 204 Ca 0.09 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1ine s THR 204 Cb -0.04 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1ine s THR 204 CO 0.69 0.54 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.56 1ine s LYS 205 N -0.28 0.74 -0.12 4.92 3.01 -1.26 -2.22 119.74 124.52 1ine s LYS 205 Ca 0.07 -0.17 -0.13 0.00 -1.01 0.00 0.00 55.97 54.73 1ine s LYS 205 Cb -0.12 -0.73 0.03 0.00 -1.01 0.00 0.00 37.83 36.01 1ine s LYS 205 CO 0.02 0.02 0.36 0.08 0.51 0.00 0.00 175.35 176.34 1ine s VAL 206 N 0.44 0.01 -0.03 3.17 1.01 -0.43 -5.02 120.40 119.55 1ine s VAL 206 Ca -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1ine s VAL 206 Cb -0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1ine s VAL 206 CO 0.00 -0.02 -0.17 -1.81 0.00 0.00 0.00 175.10 173.10 1ine s ASP 207 N 0.04 2.02 -0.06 3.32 1.11 -1.26 -1.51 116.67 120.33 1ine s ASP 207 Ca -0.01 -0.32 0.02 0.00 0.18 0.00 0.00 52.55 52.42 1ine s ASP 207 Cb -0.03 -0.40 0.01 0.00 1.07 0.00 0.00 42.92 43.58 1ine s ASP 207 CO 0.01 0.17 -0.12 -0.54 1.18 0.00 0.00 175.17 175.88 1ine s LYS 208 N -0.16 1.61 -0.26 8.23 -0.14 -0.94 -4.99 119.74 123.09 1ine s LYS 208 Ca 0.01 -0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.12 1ine s LYS 208 Cb -0.09 -1.34 -0.05 0.00 -1.68 0.00 0.00 37.83 34.67 1ine s LYS 208 CO 0.01 0.03 0.20 0.15 -0.76 0.00 0.00 175.35 174.97 1ine s LYS 209 N 0.64 4.01 -0.38 1.68 1.02 -1.26 -1.93 119.74 123.52 1ine s LYS 209 Ca -0.14 -0.26 -0.28 0.00 0.02 0.00 0.00 55.97 55.31 1ine s LYS 209 Cb -0.15 -3.60 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 1ine s LYS 209 CO 0.03 -0.08 1.07 0.42 -0.92 0.00 0.00 175.35 175.88 1ine s ILE 210 N 1.46 4.43 -0.03 2.17 1.09 -0.48 -5.01 121.20 124.83 1ine s ILE 210 Ca 0.08 1.49 0.04 0.00 -1.10 0.00 0.00 60.65 61.16 1ine s ILE 210 Cb -0.15 -4.46 -0.03 0.00 -1.06 0.00 0.00 42.46 36.76 1ine s ILE 210 CO 0.08 -0.66 -0.13 0.68 -0.10 0.00 0.00 174.94 174.81 1ine s VAL 211 N 3.88 3.19 0.99 2.92 -7.23 -1.26 -4.59 120.40 118.28 1ine s VAL 211 Ca 0.45 -0.77 -0.16 0.00 -1.81 0.00 0.00 61.98 59.69 1ine s VAL 211 Cb -0.11 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 1ine s VAL 211 CO 0.21 0.52 -0.30 -2.65 -0.31 0.00 0.00 175.10 172.57 1ine n PRO 212 N 2.06 -0.22 0.00 4.82 -0.02 -1.26 -4.92 135.00 135.46 1ine n PRO 212 Ca -0.17 -0.05 0.14 0.00 -2.02 0.00 0.00 63.50 61.40 1ine n PRO 212 Cb 0.52 -1.40 0.45 0.00 -0.02 0.00 0.00 33.50 33.05 1ine n PRO 212 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02