#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ndn n VAL 7 N 0.00 0.02 1.03 2.46 0.24 -1.26 -4.49 118.33 116.33 3ndn n VAL 7 Ca 0.00 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.31 3ndn n VAL 7 Cb 0.00 0.67 0.24 0.00 -1.47 0.00 0.00 33.84 33.28 3ndn n VAL 7 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3ndn n ARG 8 N -1.68 2.15 -2.49 7.34 1.74 -1.26 -4.90 116.66 117.56 3ndn n ARG 8 Ca 0.03 -1.69 -0.43 0.00 -0.77 0.00 0.00 57.85 54.99 3ndn n ARG 8 Cb 0.38 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3ndn n ARG 8 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ndn s THR 9 N -1.90 4.28 0.80 0.55 -4.23 -1.26 -5.02 115.64 108.85 3ndn s THR 9 Ca 0.33 1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 62.18 3ndn s THR 9 Cb 0.20 -4.23 0.07 0.00 1.34 0.00 0.00 72.50 69.89 3ndn s THR 9 CO 0.31 -0.44 1.12 -2.16 -0.54 0.00 0.00 174.62 172.91 3ndn s PRO 10 N 3.93 2.03 -0.21 3.99 0.04 -1.26 -4.95 135.00 138.56 3ndn s PRO 10 Ca 0.52 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 3ndn s PRO 10 Cb -0.16 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3ndn s PRO 10 CO 0.20 -1.61 1.74 -1.59 0.04 0.00 0.00 177.00 175.78 3ndn s LYS 11 N -5.32 3.70 0.26 4.56 0.00 -0.54 -4.98 119.74 117.42 3ndn s LYS 11 Ca 0.61 1.77 -0.30 0.00 0.00 0.00 0.00 55.97 58.05 3ndn s LYS 11 Cb -0.13 -4.11 -0.09 0.00 0.00 0.00 0.00 37.83 33.50 3ndn s LYS 11 CO 0.52 -1.42 1.08 0.00 0.00 0.00 0.00 175.35 175.54 3ndn s ALA 12 N 5.68 3.40 0.30 0.59 0.00 -1.26 -4.45 121.76 126.01 3ndn s ALA 12 Ca 0.77 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.55 3ndn s ALA 12 Cb -0.27 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3ndn s ALA 12 CO 0.32 -0.13 0.55 -0.51 0.00 0.00 0.00 175.76 175.99 3ndn s LEU 13 N -1.25 4.04 0.71 0.00 1.43 -1.26 -5.07 118.68 117.29 3ndn s LEU 13 Ca 0.45 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 3ndn s LEU 13 Cb -0.31 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 3ndn s LEU 13 CO 0.39 -0.22 0.83 -2.65 0.23 0.00 0.00 176.35 174.93 3ndn n PRO 14 N -1.08 0.46 -1.78 1.29 -0.02 -1.26 -4.91 135.00 127.70 3ndn n PRO 14 Ca -0.02 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3ndn n PRO 14 Cb 0.54 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 3ndn n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ndn s ASP 15 N -1.56 6.40 0.00 2.55 2.15 -1.26 -3.56 116.67 121.39 3ndn s ASP 15 Ca 0.71 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.57 3ndn s ASP 15 Cb -0.35 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.65 3ndn s ASP 15 CO 0.53 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 3ndn n GLY 16 N 3.05 0.77 3.74 2.66 0.00 -1.26 -5.05 105.19 109.10 3ndn n GLY 16 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3ndn n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ndn s VAL 17 N -2.83 2.30 0.83 1.61 -7.23 -1.23 -5.02 120.40 108.84 3ndn s VAL 17 Ca 0.00 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.24 3ndn s VAL 17 Cb 0.00 -3.08 0.11 0.00 0.56 0.00 0.00 36.38 33.97 3ndn s VAL 17 CO 0.00 -0.04 1.19 -0.94 -0.31 0.00 0.00 175.10 175.00 3ndn s SER 18 N -1.42 4.14 0.34 4.85 1.04 -1.26 -4.89 113.70 116.49 3ndn s SER 18 Ca 0.79 0.52 0.04 0.00 0.48 0.00 0.00 55.95 57.79 3ndn s SER 18 Cb -0.35 -0.91 0.67 0.00 0.10 0.00 0.00 66.02 65.53 3ndn s SER 18 CO 0.38 -2.10 1.93 -0.61 0.98 0.00 0.00 173.24 173.82 3ndn h GLN 19 N -1.13 0.83 -0.25 4.02 4.15 -1.95 -2.49 115.11 118.29 3ndn h GLN 19 Ca -0.45 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 3ndn h GLN 19 Cb 1.30 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 3ndn h GLN 19 CO 0.56 0.55 0.03 0.00 -1.93 0.00 0.00 178.83 178.04 3ndn h ALA 20 N 1.57 0.33 -0.63 3.38 0.00 -2.00 -2.77 119.26 119.14 3ndn h ALA 20 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ndn h ALA 20 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ndn h ALA 20 CO -0.13 0.03 0.35 1.15 0.00 0.00 0.00 179.25 180.65 3ndn h THR 21 N 0.22 1.20 -0.02 0.00 2.02 -1.87 -2.88 112.91 111.57 3ndn h THR 21 Ca 0.08 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 3ndn h THR 21 Cb 0.35 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3ndn h THR 21 CO 0.01 0.21 -0.36 -0.37 0.37 0.00 0.00 175.52 175.38 3ndn h VAL 22 N 0.86 1.26 -0.10 3.16 -1.51 -1.45 -2.65 116.25 115.82 3ndn h VAL 22 Ca 0.22 -1.26 -0.07 0.00 -1.23 0.00 0.00 66.70 64.36 3ndn h VAL 22 Cb 0.03 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 3ndn h VAL 22 CO -0.04 0.36 -0.25 1.23 -1.23 0.00 0.00 177.57 177.65 3ndn h GLY 23 N 1.09 0.20 1.12 5.19 0.00 -1.28 0.61 103.07 110.00 3ndn h GLY 23 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 47.33 46.94 3ndn h GLY 23 CO 0.05 0.13 -0.98 -2.08 0.00 0.00 0.00 176.54 173.66 3ndn h VAL 24 N 0.17 1.31 0.00 4.60 2.07 -1.33 -3.23 116.25 119.84 3ndn h VAL 24 Ca 0.03 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3ndn h VAL 24 Cb 0.54 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3ndn h VAL 24 CO 0.04 0.68 -0.17 -2.11 0.02 0.00 0.00 177.57 176.03 3ndn n ARG 25 N -3.92 0.00 -2.45 1.57 1.85 -1.06 -4.93 116.66 107.72 3ndn n ARG 25 Ca -0.11 -0.65 -0.38 0.00 -1.00 0.00 0.00 57.85 55.70 3ndn n ARG 25 Cb 0.85 -0.48 -0.03 0.00 -1.05 0.00 0.00 32.46 31.75 3ndn n ARG 25 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3ndn s GLY 26 N -0.35 2.85 -0.35 2.89 0.00 0.20 -4.28 107.32 108.30 3ndn s GLY 26 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3ndn s GLY 26 CO 0.00 1.32 0.00 0.61 0.00 0.00 0.00 173.10 175.03 3ndn n GLY 27 N 0.63 0.63 3.81 0.20 0.00 -1.26 -4.43 105.19 104.78 3ndn n GLY 27 Ca 0.03 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3ndn n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ndn s MET 28 N -1.77 3.90 -0.45 1.61 1.00 -1.26 -4.47 119.30 117.86 3ndn s MET 28 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 55.69 56.91 3ndn s MET 28 Cb 0.00 -2.12 0.17 0.00 0.00 0.00 0.00 34.83 32.88 3ndn s MET 28 CO 0.00 -0.33 0.35 -0.51 0.00 0.00 0.00 175.02 174.54 3ndn s LEU 29 N -3.65 1.92 0.36 -0.03 1.43 -1.26 -1.47 118.68 115.98 3ndn s LEU 29 Ca 0.63 -3.13 -0.27 0.00 -1.03 0.00 0.00 54.13 50.33 3ndn s LEU 29 Cb -0.13 -0.62 -0.09 0.00 0.03 0.00 0.00 46.19 45.38 3ndn s LEU 29 CO 0.22 -0.17 1.20 -0.13 0.23 0.00 0.00 176.35 177.71 3ndn s ARG 30 N -0.11 4.23 1.02 1.70 0.52 -1.26 -4.96 118.95 120.09 3ndn s ARG 30 Ca 0.31 1.95 -0.15 0.00 -0.52 0.00 0.00 55.73 57.31 3ndn s ARG 30 Cb 0.01 -2.87 0.20 0.00 0.52 0.00 0.00 34.95 32.81 3ndn s ARG 30 CO -0.18 -0.20 1.15 -1.54 0.02 0.00 0.00 175.30 174.55 3ndn s SER 31 N -0.90 2.52 0.01 0.23 1.04 -1.26 -4.93 113.70 110.41 3ndn s SER 31 Ca 0.53 0.77 0.01 0.00 0.48 0.00 0.00 55.95 57.74 3ndn s SER 31 Cb -0.34 -1.17 0.05 0.00 0.10 0.00 0.00 66.02 64.66 3ndn s SER 31 CO 0.43 -3.15 1.03 0.61 0.98 0.00 0.00 173.24 173.14 3ndn n GLY 32 N -1.93 -0.51 0.11 7.32 0.00 -1.26 -1.67 105.19 107.25 3ndn n GLY 32 Ca 0.10 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3ndn n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ndn n PHE 33 N -1.53 0.92 -3.52 1.61 3.72 -1.26 -4.97 117.46 112.43 3ndn n PHE 33 Ca -0.00 0.27 -0.24 0.00 -0.05 0.00 0.00 57.45 57.43 3ndn n PHE 33 Cb 0.00 -0.94 0.07 0.00 -0.94 0.00 0.00 39.48 37.67 3ndn n PHE 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ndn n GLU 34 N -2.25 -7.59 -1.77 -1.08 1.02 -0.67 -4.96 120.64 103.34 3ndn n GLU 34 Ca 0.05 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.63 3ndn n GLU 34 Cb 0.42 -5.88 0.00 0.00 -0.02 0.00 0.00 31.44 25.96 3ndn n GLU 34 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3ndn n GLU 35 N -4.89 2.58 0.07 3.49 0.00 -1.26 -4.96 120.64 115.67 3ndn n GLU 35 Ca -0.01 0.91 -0.12 0.00 0.00 0.00 0.00 57.16 57.94 3ndn n GLU 35 Cb 0.57 -2.63 -0.08 0.00 0.00 0.00 0.00 31.44 29.29 3ndn n GLU 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3ndn h THR 36 N 2.83 0.92 -3.89 3.84 2.02 -2.01 -3.46 112.91 113.17 3ndn h THR 36 Ca -0.50 -0.98 -0.48 0.00 0.77 0.00 0.00 66.41 65.22 3ndn h THR 36 Cb 1.25 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3ndn h THR 36 CO 0.63 0.21 0.21 0.00 0.37 0.00 0.00 175.52 176.94 3ndn s ALA 37 N -4.14 3.22 0.09 6.16 0.00 -1.26 -5.03 121.76 120.79 3ndn s ALA 37 Ca -0.14 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 3ndn s ALA 37 Cb 0.01 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 3ndn s ALA 37 CO 0.54 0.06 1.62 -1.21 0.00 0.00 0.00 175.76 176.77 3ndn s GLU 38 N -3.53 4.21 0.50 0.00 8.01 -1.26 -5.00 118.70 121.62 3ndn s GLU 38 Ca 0.56 2.32 -0.19 0.00 0.01 0.00 0.00 54.97 57.67 3ndn s GLU 38 Cb -0.10 -3.50 -0.08 0.00 -4.31 0.00 0.00 34.13 26.15 3ndn s GLU 38 CO 0.24 -0.70 1.03 0.00 0.01 0.00 0.00 175.26 175.85 3ndn s ALA 39 N 2.28 2.87 -0.26 5.21 0.00 -1.26 -5.06 121.76 125.54 3ndn s ALA 39 Ca 0.73 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 3ndn s ALA 39 Cb -0.40 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.50 3ndn s ALA 39 CO 0.32 -0.36 -0.01 1.41 0.00 0.00 0.00 175.76 177.12 3ndn s MET 40 N -3.42 3.03 -1.01 0.00 1.75 -1.26 -4.71 119.30 113.69 3ndn s MET 40 Ca 0.66 -0.86 -0.09 0.00 -1.25 0.00 0.00 55.69 54.14 3ndn s MET 40 Cb -0.15 -3.13 0.25 0.00 2.84 0.00 0.00 34.83 34.64 3ndn s MET 40 CO 0.23 -0.37 0.97 0.71 -0.65 0.00 0.00 175.02 175.91 3ndn s TYR 41 N 1.42 4.09 -1.17 4.11 2.02 -1.26 -4.98 117.35 121.58 3ndn s TYR 41 Ca 0.02 -2.59 -0.21 0.00 -0.37 0.00 0.00 57.07 53.93 3ndn s TYR 41 Cb -0.16 -3.74 0.05 0.00 -0.40 0.00 0.00 41.96 37.71 3ndn s TYR 41 CO -0.02 -0.93 1.65 -0.51 -1.57 0.00 0.00 175.55 174.17 3ndn s LEU 42 N -0.94 3.63 -0.06 -1.29 1.43 -1.26 -4.87 118.68 115.32 3ndn s LEU 42 Ca 0.27 -1.93 -0.07 0.00 -1.03 0.00 0.00 54.13 51.37 3ndn s LEU 42 Cb -0.10 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.56 3ndn s LEU 42 CO -0.09 -1.49 0.18 0.28 0.23 0.00 0.00 176.35 175.46 3ndn s THR 43 N 5.22 0.01 -0.05 5.49 -1.32 -1.26 -5.06 115.64 118.67 3ndn s THR 43 Ca 0.53 -0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.96 3ndn s THR 43 Cb 0.02 -0.29 -0.25 0.00 -1.51 0.00 0.00 72.50 70.47 3ndn s THR 43 CO 0.01 -0.04 0.65 0.77 -2.21 0.00 0.00 174.62 173.80 3ndn h SER 44 N 5.66 0.19 -0.66 8.08 4.64 -1.99 -3.43 113.55 126.04 3ndn h SER 44 Ca -0.26 -0.37 -0.67 0.00 -0.47 0.00 0.00 61.79 60.02 3ndn h SER 44 Cb 1.20 -0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 63.09 3ndn h SER 44 CO 0.39 1.33 -0.53 -0.83 -0.87 0.00 0.00 176.83 176.32 3ndn s GLY 45 N -5.19 2.90 0.09 -0.77 0.00 -1.26 -1.04 107.32 102.06 3ndn s GLY 45 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3ndn s GLY 45 CO 0.82 -2.17 -0.03 -0.19 0.00 0.00 0.00 173.10 171.52 3ndn s TYR 46 N -2.84 0.76 0.31 1.90 2.02 -1.26 -4.97 117.35 113.27 3ndn s TYR 46 Ca 0.13 -1.03 0.09 0.00 -0.37 0.00 0.00 57.07 55.88 3ndn s TYR 46 Cb 0.03 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 41.07 3ndn s TYR 46 CO 0.07 -0.30 0.04 0.14 -1.57 0.00 0.00 175.55 173.92 3ndn s VAL 47 N -3.81 3.04 0.03 0.71 -7.23 -1.26 -5.05 120.40 106.83 3ndn s VAL 47 Ca 0.13 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 3ndn s VAL 47 Cb 0.07 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3ndn s VAL 47 CO -0.05 -0.27 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.02 3ndn s TYR 48 N -2.42 1.22 0.43 2.82 2.02 -1.26 -5.05 117.35 115.11 3ndn s TYR 48 Ca 0.34 -0.33 0.29 0.00 -0.37 0.00 0.00 57.07 57.01 3ndn s TYR 48 Cb -0.03 -0.74 1.54 0.00 -0.40 0.00 0.00 41.96 42.33 3ndn s TYR 48 CO 0.20 0.02 2.10 0.78 -1.57 0.00 0.00 175.55 177.09 3ndn h GLY 49 N 5.12 0.00 -2.62 0.71 0.00 -2.01 -3.46 103.07 100.80 3ndn h GLY 49 Ca -0.37 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.97 3ndn h GLY 49 CO 0.45 0.00 0.19 -1.35 0.00 0.00 0.00 176.54 175.83 3ndn s SER 50 N -6.06 -0.42 0.29 0.19 1.04 -1.26 -5.04 113.70 102.44 3ndn s SER 50 Ca -0.03 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 3ndn s SER 50 Cb 0.13 0.64 0.44 0.00 0.10 0.00 0.00 66.02 67.32 3ndn s SER 50 CO 0.57 -1.10 1.87 0.00 0.98 0.00 0.00 173.24 175.56 3ndn h ALA 51 N 2.03 1.29 -0.80 5.32 0.00 -2.00 -2.54 119.26 122.56 3ndn h ALA 51 Ca -0.28 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3ndn h ALA 51 Cb 1.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3ndn h ALA 51 CO 0.33 0.53 0.52 0.00 0.00 0.00 0.00 179.25 180.63 3ndn h ALA 52 N 1.40 1.01 -0.75 0.00 0.00 -2.00 -1.83 119.26 117.10 3ndn h ALA 52 Ca 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ndn h ALA 52 Cb 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ndn h ALA 52 CO -0.02 0.43 0.26 0.28 0.00 0.00 0.00 179.25 180.20 3ndn h VAL 53 N 1.08 1.26 -0.63 0.00 2.07 -1.91 -1.81 116.25 116.31 3ndn h VAL 53 Ca 0.29 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3ndn h VAL 53 Cb -0.11 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3ndn h VAL 53 CO -0.06 0.34 0.31 0.00 0.02 0.00 0.00 177.57 178.18 3ndn h ALA 54 N 1.18 0.81 -0.15 1.67 0.00 -1.14 -1.09 119.26 120.53 3ndn h ALA 54 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ndn h ALA 54 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ndn h ALA 54 CO -0.01 0.36 0.07 1.49 0.00 0.00 0.00 179.25 181.16 3ndn h GLU 55 N 0.86 0.22 -0.60 0.00 4.81 -1.19 -2.20 114.58 116.49 3ndn h GLU 55 Ca 0.22 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3ndn h GLU 55 Cb 0.11 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3ndn h GLU 55 CO -0.03 0.29 0.22 0.87 -0.73 0.00 0.00 179.01 179.63 3ndn h LYS 56 N 0.10 0.88 -0.35 1.92 1.57 -1.22 -2.04 116.57 117.43 3ndn h LYS 56 Ca 0.05 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3ndn h LYS 56 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3ndn h LYS 56 CO -0.01 0.73 0.00 0.77 -0.57 0.00 0.00 179.45 180.38 3ndn h SER 57 N 0.86 0.60 -0.54 0.86 0.02 -1.09 -0.13 113.55 114.13 3ndn h SER 57 Ca 0.20 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3ndn h SER 57 Cb 0.20 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3ndn h SER 57 CO -0.02 0.76 0.13 -0.26 -1.14 0.00 0.00 176.83 176.31 3ndn h PHE 58 N 0.42 0.96 0.00 3.45 -1.00 -1.29 -2.61 116.94 116.87 3ndn h PHE 58 Ca 0.10 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3ndn h PHE 58 Cb 0.45 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.74 3ndn h PHE 58 CO 0.04 0.80 0.00 0.00 -1.61 0.00 0.00 178.31 177.54 3ndn n ALA 59 N -2.46 2.38 -1.46 2.45 0.00 -0.78 -4.89 120.51 115.76 3ndn n ALA 59 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 3ndn n ALA 59 Cb 0.24 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 3ndn n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndn n GLY 60 N 0.63 0.98 0.11 0.00 0.00 -0.92 -4.90 105.19 101.09 3ndn n GLY 60 Ca 0.17 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3ndn n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ndn h GLU 61 N 0.00 0.00 -6.50 1.61 5.08 -1.27 -3.45 114.58 110.05 3ndn h GLU 61 Ca -0.22 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.51 3ndn h GLU 61 Cb 0.78 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.82 3ndn h GLU 61 CO 0.32 0.00 -0.83 -0.51 -1.00 0.00 0.00 179.01 176.98 3ndn s LEU 62 N -4.81 2.37 -0.02 1.33 1.43 -1.21 -5.00 118.68 112.77 3ndn s LEU 62 Ca 0.07 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.48 3ndn s LEU 62 Cb 0.11 -1.07 0.33 0.00 0.03 0.00 0.00 46.19 45.59 3ndn s LEU 62 CO 0.68 0.10 1.23 -0.90 0.23 0.00 0.00 176.35 177.69 3ndn n ASP 63 N 0.65 2.19 -4.54 2.29 5.75 -1.26 -4.74 116.55 116.89 3ndn n ASP 63 Ca -0.16 -2.09 -0.46 0.00 -0.01 0.00 0.00 54.79 52.07 3ndn n ASP 63 Cb 0.55 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 3ndn n ASP 63 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 3ndn n HIS 64 N 0.49 0.79 -1.95 2.11 -0.00 -1.26 -4.77 115.22 110.64 3ndn n HIS 64 Ca 0.12 0.78 -0.34 0.00 0.46 0.00 0.00 57.72 58.74 3ndn n HIS 64 Cb 0.39 -2.17 0.03 0.00 -0.12 0.00 0.00 29.99 28.11 3ndn n HIS 64 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3ndn s TYR 65 N -0.92 2.68 0.00 1.57 2.02 -1.26 -5.00 117.35 116.45 3ndn s TYR 65 Ca 0.62 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.87 3ndn s TYR 65 Cb -0.79 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 37.59 3ndn s TYR 65 CO 0.58 -1.57 0.00 0.28 -1.57 0.00 0.00 175.55 173.26 3ndn n VAL 66 N -2.03 0.00 -3.64 0.71 0.31 -1.26 -4.81 118.33 107.61 3ndn n VAL 66 Ca 0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.34 3ndn n VAL 66 Cb 0.52 -0.97 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 3ndn n VAL 66 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3ndn s TYR 67 N -1.92 -0.85 0.17 3.52 6.14 -1.26 -4.19 117.35 118.95 3ndn s TYR 67 Ca 0.00 1.85 0.35 0.00 0.64 0.00 0.00 57.07 59.91 3ndn s TYR 67 Cb 0.00 0.45 1.63 0.00 0.42 0.00 0.00 41.96 44.45 3ndn s TYR 67 CO 0.00 -0.42 2.04 0.77 0.64 0.00 0.00 175.55 178.58 3ndn h SER 68 N 5.90 0.00 -0.57 4.32 0.02 -1.13 -2.45 113.55 119.64 3ndn h SER 68 Ca -0.29 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3ndn h SER 68 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 3ndn h SER 68 CO 0.12 0.00 0.39 -0.09 -1.14 0.00 0.00 176.83 176.11 3ndn h ARG 69 N 0.00 0.28 0.00 3.45 2.43 -1.95 -3.26 114.38 115.32 3ndn h ARG 69 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ndn h ARG 69 Cb 0.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3ndn h ARG 69 CO 0.00 0.18 0.00 2.48 -1.51 0.00 0.00 179.97 181.12 3ndn n TYR 70 N -4.45 0.00 -3.64 2.20 4.11 -1.01 -4.77 117.16 109.60 3ndn n TYR 70 Ca 0.10 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.90 57.85 3ndn n TYR 70 Cb 0.43 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.34 39.70 3ndn n TYR 70 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3ndn s GLY 71 N -0.19 -0.11 -0.12 -7.48 0.00 -0.96 -5.03 107.32 93.43 3ndn s GLY 71 Ca 0.00 2.91 -0.13 0.00 0.00 0.00 0.00 44.72 47.50 3ndn s GLY 71 CO 0.00 2.30 0.36 0.21 0.00 0.00 0.00 173.10 175.97 3ndn s ASN 72 N 0.97 -0.36 0.27 1.64 3.84 -1.26 -3.54 114.94 116.51 3ndn s ASN 72 Ca -0.05 0.66 -0.03 0.00 0.21 0.00 0.00 52.86 53.65 3ndn s ASN 72 Cb -0.04 0.69 0.36 0.00 -0.55 0.00 0.00 41.25 41.71 3ndn s ASN 72 CO -0.12 -0.16 1.90 1.55 -2.79 0.00 0.00 177.10 177.47 3ndn h PRO 73 N 5.37 1.07 -0.24 0.43 0.13 -1.98 -0.03 132.00 136.75 3ndn h PRO 73 Ca -0.27 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 3ndn h PRO 73 Cb 1.18 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3ndn h PRO 73 CO 0.29 0.79 -0.04 1.15 -0.23 0.00 0.00 178.00 179.96 3ndn h THR 74 N 1.08 1.28 -1.00 1.56 2.02 -1.89 -2.93 112.91 113.02 3ndn h THR 74 Ca 0.27 -1.01 0.10 0.00 0.77 0.00 0.00 66.41 66.55 3ndn h THR 74 Cb 0.03 1.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 3ndn h THR 74 CO -0.04 0.31 0.64 0.58 0.37 0.00 0.00 175.52 177.38 3ndn h VAL 75 N 0.19 0.97 -0.48 3.16 2.07 -1.82 -2.47 116.25 117.87 3ndn h VAL 75 Ca 0.06 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ndn h VAL 75 Cb 0.48 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3ndn h VAL 75 CO 0.02 0.19 0.27 0.28 0.02 0.00 0.00 177.57 178.35 3ndn h SER 76 N 1.05 0.58 -0.43 0.57 0.02 -0.89 -1.92 113.55 112.53 3ndn h SER 76 Ca 0.48 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.30 3ndn h SER 76 Cb 0.40 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ndn h SER 76 CO -0.24 0.47 -0.12 0.58 -1.14 0.00 0.00 176.83 176.38 3ndn h VAL 77 N 0.66 1.27 -0.19 2.27 2.07 -1.27 -1.46 116.25 119.62 3ndn h VAL 77 Ca 0.17 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3ndn h VAL 77 Cb 0.01 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3ndn h VAL 77 CO -0.03 0.42 0.10 0.15 0.02 0.00 0.00 177.57 178.23 3ndn h PHE 78 N 0.66 0.25 -0.41 1.57 3.57 -1.26 -1.56 116.94 119.76 3ndn h PHE 78 Ca 0.11 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ndn h PHE 78 Cb 0.66 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3ndn h PHE 78 CO 0.05 0.23 0.21 0.93 -2.23 0.00 0.00 178.31 177.50 3ndn h GLU 79 N 0.20 0.41 -0.13 1.11 5.08 -1.30 -2.20 114.58 117.75 3ndn h GLU 79 Ca 0.07 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 3ndn h GLU 79 Cb 0.06 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ndn h GLU 79 CO -0.01 0.27 -0.77 1.49 -1.00 0.00 0.00 179.01 178.99 3ndn h GLU 80 N 0.42 0.67 -0.41 2.33 4.57 -1.19 -1.60 114.58 119.37 3ndn h GLU 80 Ca 0.17 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3ndn h GLU 80 Cb 0.07 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3ndn h GLU 80 CO -0.12 1.16 0.26 -0.09 -1.18 0.00 0.00 179.01 179.05 3ndn h ARG 81 N 0.45 0.54 -0.52 1.92 2.43 -1.23 -0.55 114.38 117.43 3ndn h ARG 81 Ca -0.05 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3ndn h ARG 81 Cb 1.38 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3ndn h ARG 81 CO 0.15 0.37 -0.07 1.25 -1.51 0.00 0.00 179.97 180.16 3ndn h LEU 82 N 0.55 0.92 -0.76 3.80 5.85 -1.39 -2.13 115.31 122.14 3ndn h LEU 82 Ca 0.15 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3ndn h LEU 82 Cb -0.05 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 3ndn h LEU 82 CO -0.03 1.02 0.42 -0.09 -0.34 0.00 0.00 178.44 179.41 3ndn h ARG 83 N 0.84 1.06 -0.27 1.25 2.43 -1.06 -1.79 114.38 116.85 3ndn h ARG 83 Ca 0.14 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ndn h ARG 83 Cb 0.60 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3ndn h ARG 83 CO 0.04 0.78 0.11 -0.07 -1.51 0.00 0.00 179.97 179.32 3ndn h LEU 84 N 1.05 0.37 -0.81 3.80 3.38 -0.93 -0.58 115.31 121.58 3ndn h LEU 84 Ca 0.27 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3ndn h LEU 84 Cb 0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3ndn h LEU 84 CO -0.04 0.43 0.52 0.40 0.09 0.00 0.00 178.44 179.83 3ndn h ILE 85 N 0.28 1.11 0.00 1.22 2.04 -1.15 -3.18 117.51 117.83 3ndn h ILE 85 Ca 0.09 -0.34 -0.23 0.00 1.00 0.00 0.00 64.86 65.38 3ndn h ILE 85 Cb 0.18 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 3ndn h ILE 85 CO -0.01 0.18 -1.14 -0.08 0.00 0.00 0.00 178.15 177.10 3ndn h GLU 86 N 0.99 0.01 -2.23 2.37 4.57 -1.23 -3.49 114.58 115.58 3ndn h GLU 86 Ca 0.33 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.41 3ndn h GLU 86 Cb 0.04 0.01 0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3ndn h GLU 86 CO -0.12 0.91 -0.15 0.41 -1.18 0.00 0.00 179.01 178.88 3ndn n GLY 87 N 1.40 0.55 3.96 1.92 0.00 -0.24 -4.89 105.19 107.88 3ndn n GLY 87 Ca -0.04 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 3ndn n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndn s ALA 88 N -3.07 3.89 0.31 4.61 0.00 -1.15 -5.00 121.76 121.36 3ndn s ALA 88 Ca 0.10 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 51.04 3ndn s ALA 88 Cb -0.04 -1.82 0.52 0.00 0.00 0.00 0.00 23.12 21.77 3ndn s ALA 88 CO 0.16 0.28 1.73 -1.35 0.00 0.00 0.00 175.76 176.57 3ndn h PRO 89 N 1.38 0.15 -2.80 0.00 0.11 -1.92 -3.46 132.00 125.45 3ndn h PRO 89 Ca -0.51 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.60 3ndn h PRO 89 Cb 1.22 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 3ndn h PRO 89 CO 0.63 0.55 0.30 0.00 -0.21 0.00 0.00 178.00 179.27 3ndn s ALA 90 N -4.11 -1.49 -0.00 -0.75 0.00 -0.84 -4.74 121.76 109.83 3ndn s ALA 90 Ca -0.04 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 3ndn s ALA 90 Cb 0.14 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.05 3ndn s ALA 90 CO 0.76 -0.91 0.29 0.00 0.00 0.00 0.00 175.76 175.90 3ndn s ALA 91 N -3.66 -0.72 -0.06 0.00 0.00 -1.26 -2.34 121.76 113.72 3ndn s ALA 91 Ca 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 3ndn s ALA 91 Cb -0.03 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.26 3ndn s ALA 91 CO -0.02 -0.29 0.12 0.12 0.00 0.00 0.00 175.76 175.69 3ndn s PHE 92 N -1.60 -0.11 0.36 0.00 5.36 -0.61 -5.00 117.98 116.37 3ndn s PHE 92 Ca -0.12 0.43 -0.19 0.00 -0.96 0.00 0.00 56.93 56.10 3ndn s PHE 92 Cb -0.04 -0.22 -0.10 0.00 -0.34 0.00 0.00 43.02 42.32 3ndn s PHE 92 CO 0.02 -0.19 0.83 0.00 -1.46 0.00 0.00 175.22 174.43 3ndn s ALA 93 N 1.63 3.21 0.31 11.12 0.00 -1.26 -0.99 121.76 135.77 3ndn s ALA 93 Ca -0.04 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.18 3ndn s ALA 93 Cb -0.12 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 3ndn s ALA 93 CO -0.05 0.24 0.11 0.95 0.00 0.00 0.00 175.76 177.01 3ndn s THR 94 N -2.00 0.65 0.01 0.00 -4.23 -0.39 -4.49 115.64 105.19 3ndn s THR 94 Ca 0.56 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 3ndn s THR 94 Cb -0.11 -2.60 0.31 0.00 1.34 0.00 0.00 72.50 71.44 3ndn s THR 94 CO 0.16 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.08 3ndn h ALA 95 N 2.20 0.99 -2.68 3.99 0.00 -1.39 -2.49 119.26 119.88 3ndn h ALA 95 Ca -0.37 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.56 3ndn h ALA 95 Cb 1.25 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3ndn h ALA 95 CO 0.60 0.13 0.35 -1.54 0.00 0.00 0.00 179.25 178.79 3ndn s SER 96 N -5.99 -0.25 0.19 0.00 1.04 -1.26 -3.25 113.70 104.18 3ndn s SER 96 Ca 0.02 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 3ndn s SER 96 Cb 0.09 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.92 3ndn s SER 96 CO 0.61 -1.10 1.76 1.23 0.98 0.00 0.00 173.24 176.72 3ndn h GLY 97 N 2.00 1.10 1.61 7.32 0.00 -1.73 -2.71 103.07 110.66 3ndn h GLY 97 Ca -0.22 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 3ndn h GLY 97 CO 0.25 0.55 -0.04 -0.33 0.00 0.00 0.00 176.54 176.97 3ndn h MET 98 N 0.98 0.48 -0.94 4.80 2.86 -1.91 -1.47 114.93 119.73 3ndn h MET 98 Ca 0.23 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3ndn h MET 98 Cb 0.18 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 3ndn h MET 98 CO -0.02 0.55 0.61 0.00 1.06 0.00 0.00 176.91 179.10 3ndn h ALA 99 N 1.50 1.19 -0.31 6.32 0.00 -1.93 -0.06 119.26 125.96 3ndn h ALA 99 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ndn h ALA 99 Cb 0.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ndn h ALA 99 CO 0.02 0.60 0.12 0.00 0.00 0.00 0.00 179.25 179.99 3ndn h ALA 100 N 1.33 0.41 0.12 0.00 0.00 -1.02 -1.69 119.26 118.40 3ndn h ALA 100 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ndn h ALA 100 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3ndn h ALA 100 CO -0.07 0.01 -0.06 0.28 0.00 0.00 0.00 179.25 179.41 3ndn h VAL 101 N 0.36 0.88 -0.18 0.00 2.07 -1.04 -1.34 116.25 117.00 3ndn h VAL 101 Ca 0.10 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 3ndn h VAL 101 Cb 0.19 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ndn h VAL 101 CO -0.01 0.00 0.01 0.15 0.02 0.00 0.00 177.57 177.74 3ndn h PHE 102 N -0.16 0.34 -0.37 1.57 3.57 -1.04 -2.56 116.94 118.29 3ndn h PHE 102 Ca -0.02 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 3ndn h PHE 102 Cb 0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3ndn h PHE 102 CO -0.07 0.50 -0.17 1.15 -2.23 0.00 0.00 178.31 177.49 3ndn h THR 103 N 0.08 1.26 -0.24 4.41 2.02 -1.34 0.14 112.91 119.23 3ndn h THR 103 Ca 0.05 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 3ndn h THR 103 Cb 0.36 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3ndn h THR 103 CO 0.01 0.40 -0.03 0.77 0.37 0.00 0.00 175.52 177.04 3ndn h SER 104 N 0.61 0.45 -0.41 4.18 4.64 -1.22 -0.80 113.55 121.01 3ndn h SER 104 Ca 0.10 -0.34 -0.12 0.00 -0.47 0.00 0.00 61.79 60.96 3ndn h SER 104 Cb 0.63 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3ndn h SER 104 CO 0.04 0.69 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.42 3ndn h LEU 105 N 0.21 0.87 -1.59 5.97 3.38 -1.40 -3.06 115.31 119.69 3ndn h LEU 105 Ca 0.07 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3ndn h LEU 105 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ndn h LEU 105 CO 0.02 1.09 -0.09 1.23 0.09 0.00 0.00 178.44 180.78 3ndn h GLY 106 N 0.66 0.16 2.00 0.83 0.00 -0.65 -1.61 103.07 104.46 3ndn h GLY 106 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3ndn h GLY 106 CO 0.06 0.08 -0.15 0.00 0.00 0.00 0.00 176.54 176.53 3ndn h ALA 107 N 1.77 1.47 0.00 3.60 0.00 -1.04 -3.05 119.26 122.01 3ndn h ALA 107 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ndn h ALA 107 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ndn h ALA 107 CO 0.01 0.19 -1.54 1.28 0.00 0.00 0.00 179.25 179.19 3ndn n LEU 108 N -3.96 0.43 -3.76 0.00 4.77 -0.75 -4.83 117.00 108.91 3ndn n LEU 108 Ca -0.02 -0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 3ndn n LEU 108 Cb 0.24 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 3ndn n LEU 108 CO 0.33 0.10 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.38 3ndn s LEU 109 N -3.90 2.05 0.00 2.23 1.43 -0.68 -4.86 118.68 114.95 3ndn s LEU 109 Ca -0.01 -1.41 0.09 0.00 -1.03 0.00 0.00 54.13 51.77 3ndn s LEU 109 Cb 0.15 -0.84 0.09 0.00 0.03 0.00 0.00 46.19 45.61 3ndn s LEU 109 CO 0.89 -0.37 0.72 0.61 0.23 0.00 0.00 176.35 178.43 3ndn n GLY 110 N 4.87 1.94 3.66 -3.19 0.00 -1.26 -4.71 105.19 106.50 3ndn n GLY 110 Ca -0.05 -2.22 -0.51 0.00 0.00 0.00 0.00 46.02 43.25 3ndn n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndn n ALA 111 N -2.40 0.26 0.00 4.61 0.00 -1.25 -1.94 120.51 119.78 3ndn n ALA 111 Ca -0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3ndn n ALA 111 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3ndn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndn n GLY 112 N 3.52 2.58 3.79 0.00 0.00 -0.40 -4.95 105.19 109.74 3ndn n GLY 112 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3ndn n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ndn s ASP 113 N -1.40 4.18 -0.07 1.61 1.01 -0.82 -4.78 116.67 116.40 3ndn s ASP 113 Ca 0.00 1.25 0.03 0.00 0.71 0.00 0.00 52.55 54.54 3ndn s ASP 113 Cb 0.00 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.99 3ndn s ASP 113 CO 0.00 -2.16 -0.18 -0.60 0.21 0.00 0.00 175.17 172.44 3ndn s ARG 114 N -5.16 2.20 -0.07 8.23 3.52 -1.26 -1.32 118.95 125.09 3ndn s ARG 114 Ca 0.62 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 3ndn s ARG 114 Cb -0.15 -1.76 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 3ndn s ARG 114 CO 0.54 0.14 -0.24 -1.17 -0.81 0.00 0.00 175.30 173.76 3ndn s LEU 115 N 0.40 2.14 -0.21 -0.88 2.96 0.11 -1.97 118.68 121.23 3ndn s LEU 115 Ca -0.13 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3ndn s LEU 115 Cb -0.16 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 3ndn s LEU 115 CO 0.05 0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.55 3ndn s VAL 116 N -0.12 3.10 0.07 1.68 1.01 -0.66 -1.16 120.40 124.33 3ndn s VAL 116 Ca -0.05 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3ndn s VAL 116 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3ndn s VAL 116 CO 0.04 0.45 -0.17 0.00 0.00 0.00 0.00 175.10 175.43 3ndn s ALA 117 N 1.36 1.41 0.60 5.51 0.00 -0.44 -2.19 121.76 128.01 3ndn s ALA 117 Ca 0.04 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 3ndn s ALA 117 Cb -0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3ndn s ALA 117 CO -0.05 0.25 1.13 0.00 0.00 0.00 0.00 175.76 177.10 3ndn s ALA 118 N -1.13 2.58 -0.00 0.00 0.00 -0.95 -1.58 121.76 120.67 3ndn s ALA 118 Ca 0.02 0.72 0.11 0.00 0.00 0.00 0.00 51.96 52.82 3ndn s ALA 118 Cb -0.10 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.51 3ndn s ALA 118 CO 0.03 -1.04 1.08 -0.09 0.00 0.00 0.00 175.76 175.74 3ndn h ARG 119 N 0.65 0.00 -5.02 0.00 2.43 -1.67 -3.42 114.38 107.35 3ndn h ARG 119 Ca -0.49 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 57.97 3ndn h ARG 119 Cb 1.26 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.65 3ndn h ARG 119 CO 0.55 0.68 1.44 -1.12 -1.51 0.00 0.00 179.97 180.01 3ndn s SER 120 N -6.37 6.96 0.25 -3.80 0.01 -1.26 -4.96 113.70 104.52 3ndn s SER 120 Ca -0.01 -2.73 0.11 0.00 1.31 0.00 0.00 55.95 54.63 3ndn s SER 120 Cb 0.09 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 3ndn s SER 120 CO 0.81 -0.88 -0.19 -0.76 0.41 0.00 0.00 173.24 172.63 3ndn s LEU 121 N 2.29 2.56 0.10 2.44 1.43 -1.26 -4.71 118.68 121.53 3ndn s LEU 121 Ca 0.43 -1.01 -0.36 0.00 -1.03 0.00 0.00 54.13 52.17 3ndn s LEU 121 Cb -0.02 -0.97 -0.17 0.00 0.03 0.00 0.00 46.19 45.06 3ndn s LEU 121 CO -0.00 -0.02 1.19 0.33 0.23 0.00 0.00 176.35 178.09 3ndn n PHE 122 N -0.46 1.17 -0.29 0.29 7.35 -1.26 -4.75 117.46 119.51 3ndn n PHE 122 Ca -0.07 0.76 -0.08 0.00 -0.76 0.00 0.00 57.45 57.31 3ndn n PHE 122 Cb 0.60 -2.25 -0.07 0.00 0.35 0.00 0.00 39.48 38.11 3ndn n PHE 122 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ndn n GLY 123 N 2.13 -1.99 0.30 7.13 0.00 -1.26 -1.09 105.19 110.41 3ndn n GLY 123 Ca 0.18 0.85 -0.01 0.00 0.00 0.00 0.00 46.02 47.04 3ndn n GLY 123 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ndn h SER 124 N 0.00 0.66 -0.96 1.61 0.02 -1.98 -2.19 113.55 110.71 3ndn h SER 124 Ca 0.11 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ndn h SER 124 Cb 0.28 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 3ndn h SER 124 CO -0.64 0.63 0.59 0.00 -1.14 0.00 0.00 176.83 176.27 3ndn h PHE 126 N 1.32 0.84 -0.86 0.00 3.57 -0.89 -2.19 116.94 118.73 3ndn h PHE 126 Ca 0.35 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3ndn h PHE 126 Cb -0.08 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 3ndn h PHE 126 CO 0.00 0.72 0.49 0.28 -2.23 0.00 0.00 178.31 177.57 3ndn h VAL 127 N 0.71 1.25 -0.49 1.41 2.07 -1.22 0.70 116.25 120.68 3ndn h VAL 127 Ca 0.17 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3ndn h VAL 127 Cb 0.28 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3ndn h VAL 127 CO -0.01 0.27 0.30 0.58 0.02 0.00 0.00 177.57 178.74 3ndn h VAL 128 N 1.20 1.14 0.06 2.57 2.07 -1.20 -1.13 116.25 120.96 3ndn h VAL 128 Ca 0.31 -0.31 -0.24 0.00 0.82 0.00 0.00 66.70 67.27 3ndn h VAL 128 Cb 0.00 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3ndn h VAL 128 CO -0.05 0.15 -1.07 0.00 0.02 0.00 0.00 177.57 176.62 3ndn n SER 130 N -3.59 0.53 0.00 0.00 3.41 0.19 -4.55 113.62 109.62 3ndn n SER 130 Ca -0.06 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3ndn n SER 130 Cb 0.92 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 3ndn n SER 130 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ndn n GLU 131 N -2.91 0.00 -0.03 4.33 1.02 -0.48 -4.65 120.64 117.91 3ndn n GLU 131 Ca -0.22 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.78 3ndn n GLU 131 Cb 1.08 -0.48 -0.09 0.00 -0.02 0.00 0.00 31.44 31.92 3ndn n GLU 131 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3ndn h ILE 132 N 0.00 1.39 -0.29 -3.67 2.04 -1.46 -2.64 117.51 112.88 3ndn h ILE 132 Ca 0.00 -1.26 -0.15 0.00 1.00 0.00 0.00 64.86 64.45 3ndn h ILE 132 Cb 0.90 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3ndn h ILE 132 CO 0.00 0.34 -0.41 -0.07 0.00 0.00 0.00 178.15 178.02 3ndn h LEU 133 N -0.35 0.87 -2.04 1.44 3.38 -1.69 -3.10 115.31 113.83 3ndn h LEU 133 Ca 0.01 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3ndn h LEU 133 Cb 0.58 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ndn h LEU 133 CO 0.01 1.20 -0.07 -0.65 0.09 0.00 0.00 178.44 179.02 3ndn h PRO 134 N 0.55 0.00 0.00 1.13 0.11 -1.71 -1.41 132.00 130.68 3ndn h PRO 134 Ca 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3ndn h PRO 134 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ndn h PRO 134 CO 0.10 0.07 -0.11 -0.09 -0.21 0.00 0.00 178.00 177.76 3ndn h ARG 135 N 0.00 0.00 -0.60 1.05 2.43 -1.39 -1.77 114.38 114.11 3ndn h ARG 135 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3ndn h ARG 135 Cb 0.15 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3ndn h ARG 135 CO 0.01 0.11 0.09 0.91 -1.51 0.00 0.00 179.97 179.58 3ndn n TRP 136 N -3.89 2.09 -0.31 2.20 8.01 -0.57 -4.95 117.44 120.03 3ndn n TRP 136 Ca -0.02 -0.91 0.00 0.00 -1.31 0.00 0.00 57.50 55.26 3ndn n TRP 136 Cb 0.20 -0.55 0.00 0.00 -2.01 0.00 0.00 31.31 28.95 3ndn n TRP 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ndn n GLY 137 N 0.24 0.68 3.75 6.99 0.00 -0.66 -3.83 105.19 112.35 3ndn n GLY 137 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 3ndn n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ndn s VAL 138 N -2.53 3.78 -0.29 1.61 1.01 -0.97 -1.27 120.40 121.72 3ndn s VAL 138 Ca 0.00 1.63 -0.20 0.00 0.00 0.00 0.00 61.98 63.41 3ndn s VAL 138 Cb 0.00 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3ndn s VAL 138 CO 0.00 0.32 0.59 -1.10 0.00 0.00 0.00 175.10 174.92 3ndn s GLN 139 N -0.77 3.95 -0.13 2.72 -0.21 -0.44 -4.07 119.66 120.71 3ndn s GLN 139 Ca 0.47 0.30 0.01 0.00 0.02 0.00 0.00 55.36 56.16 3ndn s GLN 139 Cb -0.30 -3.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.00 3ndn s GLN 139 CO 0.36 -0.50 -0.17 0.99 -2.12 0.00 0.00 175.29 173.85 3ndn s THR 140 N 2.51 2.60 -0.11 -0.19 2.01 -1.26 0.07 115.64 121.25 3ndn s THR 140 Ca 0.24 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3ndn s THR 140 Cb -0.15 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 3ndn s THR 140 CO 0.11 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.67 3ndn s VAL 141 N 0.51 2.33 -0.02 3.82 1.01 -0.31 -4.99 120.40 122.75 3ndn s VAL 141 Ca -0.11 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3ndn s VAL 141 Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3ndn s VAL 141 CO 0.05 0.55 0.17 -0.36 0.00 0.00 0.00 175.10 175.50 3ndn s PHE 142 N 0.40 3.54 0.15 5.22 0.08 -1.26 -1.33 117.98 124.78 3ndn s PHE 142 Ca -0.16 0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.31 3ndn s PHE 142 Cb -0.17 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3ndn s PHE 142 CO 0.07 0.65 -0.09 0.14 -0.10 0.00 0.00 175.22 175.90 3ndn s VAL 143 N -1.27 1.10 -0.28 -0.44 -7.23 -0.61 -4.94 120.40 106.72 3ndn s VAL 143 Ca 0.25 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 3ndn s VAL 143 Cb -0.12 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.93 3ndn s VAL 143 CO 0.16 -0.71 1.19 -1.81 -0.31 0.00 0.00 175.10 173.63 3ndn s ASP 144 N -3.17 6.84 0.45 4.85 1.01 -1.26 -1.59 116.67 123.81 3ndn s ASP 144 Ca 0.18 1.23 0.20 0.00 0.71 0.00 0.00 52.55 54.86 3ndn s ASP 144 Cb 0.03 -2.54 1.17 0.00 1.01 0.00 0.00 42.92 42.60 3ndn s ASP 144 CO 0.01 -0.93 1.90 1.23 0.21 0.00 0.00 175.17 177.59 3ndn h GLY 145 N 10.30 0.57 -0.32 0.21 0.00 -1.93 -1.91 103.07 109.99 3ndn h GLY 145 Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ndn h GLY 145 CO 1.02 0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.67 3ndn n ASP 146 N -4.45 1.07 -4.11 0.19 5.75 -1.26 -4.61 116.55 109.13 3ndn n ASP 146 Ca 0.16 -1.61 -0.36 0.00 -0.01 0.00 0.00 54.79 52.97 3ndn n ASP 146 Cb 0.67 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 40.59 3ndn n ASP 146 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ndn s ASP 147 N -1.57 5.25 0.57 -1.12 -1.08 -0.72 -4.97 116.67 113.03 3ndn s ASP 147 Ca 0.30 -2.34 0.29 0.00 -0.52 0.00 0.00 52.55 50.29 3ndn s ASP 147 Cb 0.16 -1.84 1.74 0.00 -1.46 0.00 0.00 42.92 41.52 3ndn s ASP 147 CO 0.24 -0.48 2.21 -0.07 0.52 0.00 0.00 175.17 177.60 3ndn h LEU 148 N 7.68 0.00 -1.02 -1.34 3.38 -1.85 -1.74 115.31 120.42 3ndn h LEU 148 Ca -0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3ndn h LEU 148 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3ndn h LEU 148 CO 0.71 0.03 -0.45 0.28 0.09 0.00 0.00 178.44 179.09 3ndn h SER 149 N 0.00 0.00 0.09 -0.43 0.02 -1.96 -1.15 113.55 110.12 3ndn h SER 149 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 3ndn h SER 149 Cb 0.08 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.64 3ndn h SER 149 CO 0.00 0.45 -1.11 1.56 -1.14 0.00 0.00 176.83 176.59 3ndn h GLN 150 N 0.00 0.64 -0.61 3.45 4.20 -1.67 -2.44 115.11 118.67 3ndn h GLN 150 Ca -0.00 -0.75 0.03 0.00 0.06 0.00 0.00 58.65 57.98 3ndn h GLN 150 Cb 0.87 0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 3ndn h GLN 150 CO 0.06 1.33 0.38 -1.49 -0.67 0.00 0.00 178.83 178.43 3ndn h TRP 151 N 0.33 0.71 -0.32 2.96 4.06 -1.40 -1.73 115.95 120.56 3ndn h TRP 151 Ca -0.15 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.81 3ndn h TRP 151 Cb 1.77 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 29.69 3ndn h TRP 151 CO 0.10 0.40 0.16 1.49 -3.56 0.00 0.00 178.44 177.03 3ndn h GLU 152 N 0.74 0.45 -0.48 0.49 4.81 -1.18 -1.63 114.58 117.78 3ndn h GLU 152 Ca 0.25 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3ndn h GLU 152 Cb 0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3ndn h GLU 152 CO -0.10 0.41 0.16 0.00 -0.73 0.00 0.00 179.01 178.75 3ndn h ARG 153 N 0.38 0.74 -0.07 1.92 3.08 -1.32 -2.91 114.38 116.20 3ndn h ARG 153 Ca 0.11 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3ndn h ARG 153 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ndn h ARG 153 CO -0.01 0.69 -0.31 0.00 -1.07 0.00 0.00 179.97 179.27 3ndn h ALA 154 N 1.02 1.37 -0.82 0.04 0.00 -1.25 -3.14 119.26 116.46 3ndn h ALA 154 Ca 0.16 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 54.38 3ndn h ALA 154 Cb 0.25 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 17.74 3ndn h ALA 154 CO -0.01 0.45 0.48 1.28 0.00 0.00 0.00 179.25 181.45 3ndn n LEU 155 N -4.14 6.15 -0.72 0.00 4.77 -0.62 -4.38 117.00 118.06 3ndn n LEU 155 Ca -0.01 -3.25 0.12 0.00 -0.03 0.00 0.00 56.01 52.83 3ndn n LEU 155 Cb 0.38 -0.78 0.33 0.00 -2.33 0.00 0.00 43.42 41.02 3ndn n LEU 155 CO 0.39 0.91 0.76 -1.54 -1.33 0.00 0.00 177.39 176.59 3ndn n SER 156 N -0.68 2.21 -4.27 -1.43 3.41 -1.15 -4.60 113.62 107.12 3ndn n SER 156 Ca 0.48 -1.76 -0.17 0.00 -0.26 0.00 0.00 58.87 57.16 3ndn n SER 156 Cb 1.47 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 65.23 3ndn n SER 156 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ndn s VAL 157 N -1.83 1.36 0.22 -3.33 -7.23 -1.26 -5.12 120.40 103.22 3ndn s VAL 157 Ca 0.34 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 3ndn s VAL 157 Cb 0.20 -1.77 -0.14 0.00 0.56 0.00 0.00 36.38 35.23 3ndn s VAL 157 CO 0.30 -0.58 1.24 -2.65 -0.31 0.00 0.00 175.10 173.09 3ndn n PRO 158 N 0.04 1.56 -3.98 4.82 -0.02 -1.26 -4.88 135.00 131.27 3ndn n PRO 158 Ca -0.12 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 3ndn n PRO 158 Cb 0.59 -2.09 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 3ndn n PRO 158 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ndn s THR 159 N -0.31 0.17 -0.20 3.45 2.01 -0.74 -4.94 115.64 115.08 3ndn s THR 159 Ca 0.68 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3ndn s THR 159 Cb -0.74 -0.28 -0.21 0.00 0.01 0.00 0.00 72.50 71.28 3ndn s THR 159 CO 0.53 -0.38 0.02 0.00 -0.69 0.00 0.00 174.62 174.10 3ndn n GLN 160 N 1.87 0.69 -3.93 4.92 3.00 -0.83 -2.78 117.38 120.32 3ndn n GLN 160 Ca -0.21 0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 3ndn n GLN 160 Cb 0.56 -1.60 -0.10 0.00 0.00 0.00 0.00 30.24 29.10 3ndn n GLN 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ndn s ALA 161 N -2.53 -0.10 -0.05 -1.58 0.00 -1.07 -1.90 121.76 114.53 3ndn s ALA 161 Ca -0.30 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3ndn s ALA 161 Cb 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 3ndn s ALA 161 CO 0.67 -0.19 -0.17 0.08 0.00 0.00 0.00 175.76 176.15 3ndn s VAL 162 N -1.53 1.42 -0.04 0.00 1.01 -0.83 -1.65 120.40 118.78 3ndn s VAL 162 Ca -0.15 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3ndn s VAL 162 Cb -0.08 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3ndn s VAL 162 CO -0.00 0.41 -0.07 0.12 0.00 0.00 0.00 175.10 175.56 3ndn s PHE 163 N 0.16 0.88 0.18 5.22 5.36 -0.93 -0.49 117.98 128.36 3ndn s PHE 163 Ca -0.07 -0.25 -0.18 0.00 -0.96 0.00 0.00 56.93 55.48 3ndn s PHE 163 Cb -0.13 -0.70 0.03 0.00 -0.34 0.00 0.00 43.02 41.88 3ndn s PHE 163 CO 0.03 -0.17 0.50 -0.59 -1.46 0.00 0.00 175.22 173.53 3ndn s PHE 164 N 0.62 -0.17 0.03 10.12 -0.12 -1.17 -2.25 117.98 125.05 3ndn s PHE 164 Ca -0.09 -0.16 0.05 0.00 -0.05 0.00 0.00 56.93 56.68 3ndn s PHE 164 Cb -0.13 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 3ndn s PHE 164 CO 0.01 -0.87 -0.12 -1.21 -0.05 0.00 0.00 175.22 172.99 3ndn s GLU 165 N -3.85 2.31 -0.19 1.99 2.02 -1.26 -2.37 118.70 117.36 3ndn s GLU 165 Ca 0.07 -0.86 -0.10 0.00 0.02 0.00 0.00 54.97 54.10 3ndn s GLU 165 Cb -0.00 -2.35 0.06 0.00 0.10 0.00 0.00 34.13 31.94 3ndn s GLU 165 CO -0.06 0.56 0.45 -0.08 0.02 0.00 0.00 175.26 176.16 3ndn s THR 166 N -1.00 -0.06 0.97 3.63 -1.32 -1.26 -4.36 115.64 112.25 3ndn s THR 166 Ca 0.17 0.08 -0.11 0.00 -1.21 0.00 0.00 61.69 60.62 3ndn s THR 166 Cb -0.11 -0.67 0.18 0.00 -1.51 0.00 0.00 72.50 70.39 3ndn s THR 166 CO 0.08 0.03 1.10 -2.84 -2.21 0.00 0.00 174.62 170.78 3ndn s PRO 167 N 1.51 0.58 0.69 7.08 0.02 -1.26 -4.65 135.00 138.97 3ndn s PRO 167 Ca -0.09 1.19 -0.07 0.00 0.02 0.00 0.00 61.00 62.04 3ndn s PRO 167 Cb -0.08 -1.70 0.05 0.00 0.02 0.00 0.00 34.50 32.78 3ndn s PRO 167 CO -0.14 -2.81 1.02 -1.54 -0.33 0.00 0.00 177.00 173.20 3ndn s SER 168 N -2.81 4.98 -0.07 2.53 1.04 -0.17 -4.86 113.70 114.35 3ndn s SER 168 Ca 0.66 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 57.69 3ndn s SER 168 Cb -0.22 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.61 3ndn s SER 168 CO 0.60 -1.51 -0.03 0.21 0.98 0.00 0.00 173.24 173.49 3ndn s ASN 169 N -4.47 1.48 0.00 7.02 2.47 -1.26 -1.95 114.94 118.23 3ndn s ASN 169 Ca 0.59 -0.14 0.22 0.00 0.42 0.00 0.00 52.86 53.95 3ndn s ASN 169 Cb -0.11 -0.53 -0.07 0.00 -1.45 0.00 0.00 41.25 39.09 3ndn s ASN 169 CO 0.46 -0.13 1.03 -0.81 -3.72 0.00 0.00 177.10 173.93 3ndn n PRO 170 N 4.70 0.88 0.06 0.43 -0.04 -1.26 -4.78 135.00 135.00 3ndn n PRO 170 Ca -0.14 -0.71 0.13 0.00 -0.04 0.00 0.00 63.50 62.74 3ndn n PRO 170 Cb 0.50 -1.48 0.49 0.00 -0.04 0.00 0.00 33.50 32.97 3ndn n PRO 170 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ndn n MET 171 N -0.45 0.15 -3.55 0.54 2.81 -1.26 -4.76 117.12 110.60 3ndn n MET 171 Ca 0.08 0.15 -0.23 0.00 -1.81 0.00 0.00 57.70 55.89 3ndn n MET 171 Cb 0.43 -1.68 0.08 0.00 -0.71 0.00 0.00 33.22 31.33 3ndn n MET 171 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3ndn n GLN 172 N -1.94 -7.67 -2.77 0.03 6.02 -0.82 -4.95 117.38 105.27 3ndn n GLN 172 Ca 0.06 0.80 -0.35 0.00 -0.01 0.00 0.00 57.00 57.50 3ndn n GLN 172 Cb 0.37 -5.76 -0.06 0.00 1.02 0.00 0.00 30.24 25.81 3ndn n GLN 172 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3ndn s SER 173 N -3.33 7.01 0.18 1.08 1.04 -1.26 -4.62 113.70 113.80 3ndn s SER 173 Ca 0.56 1.78 0.06 0.00 0.48 0.00 0.00 55.95 58.82 3ndn s SER 173 Cb -0.25 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.28 3ndn s SER 173 CO 0.70 -0.31 0.11 -0.76 0.98 0.00 0.00 173.24 173.97 3ndn s LEU 174 N -2.81 3.69 -0.08 2.42 1.43 -1.26 -0.99 118.68 121.07 3ndn s LEU 174 Ca 0.58 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3ndn s LEU 174 Cb -0.13 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 3ndn s LEU 174 CO 0.18 0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 175.97 3ndn s VAL 175 N -1.82 2.90 -0.69 -1.59 1.01 -1.26 -4.07 120.40 114.88 3ndn s VAL 175 Ca 0.31 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 3ndn s VAL 175 Cb -0.09 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3ndn s VAL 175 CO 0.23 0.56 1.51 -0.62 0.00 0.00 0.00 175.10 176.78 3ndn s ASP 176 N -0.22 5.80 0.08 3.32 -1.08 -1.26 -4.92 116.67 118.39 3ndn s ASP 176 Ca 0.00 -0.13 -0.27 0.00 -0.52 0.00 0.00 52.55 51.64 3ndn s ASP 176 Cb -0.13 -2.55 -0.17 0.00 -1.46 0.00 0.00 42.92 38.61 3ndn s ASP 176 CO 0.03 -2.05 1.69 0.40 0.52 0.00 0.00 175.17 175.75 3ndn h ILE 177 N 6.38 0.74 -0.85 4.11 2.04 -1.99 -1.72 117.51 126.22 3ndn h ILE 177 Ca -0.27 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3ndn h ILE 177 Cb 1.10 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3ndn h ILE 177 CO 1.25 0.00 0.51 0.00 0.00 0.00 0.00 178.15 179.92 3ndn h ALA 178 N 0.36 1.08 -0.32 1.87 0.00 -1.91 -0.95 119.26 119.38 3ndn h ALA 178 Ca -0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3ndn h ALA 178 Cb 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ndn h ALA 178 CO 0.06 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.49 3ndn h ALA 179 N 1.28 0.47 -0.43 0.00 0.00 -1.93 -2.43 119.26 116.22 3ndn h ALA 179 Ca 0.30 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3ndn h ALA 179 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ndn h ALA 179 CO -0.06 0.54 -0.22 0.28 0.00 0.00 0.00 179.25 179.80 3ndn h VAL 180 N 0.57 1.27 -0.88 0.00 2.07 -1.20 -2.89 116.25 115.19 3ndn h VAL 180 Ca 0.04 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3ndn h VAL 180 Cb 0.94 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3ndn h VAL 180 CO 0.09 0.46 0.50 0.74 0.02 0.00 0.00 177.57 179.38 3ndn h THR 181 N 0.76 1.25 -0.17 2.57 2.02 -1.14 -1.21 112.91 117.00 3ndn h THR 181 Ca 0.10 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 3ndn h THR 181 Cb 0.76 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3ndn h THR 181 CO 0.06 0.27 0.09 -0.33 0.37 0.00 0.00 175.52 175.99 3ndn h GLU 182 N 1.22 0.23 -0.42 6.66 5.08 -1.31 -1.81 114.58 124.23 3ndn h GLU 182 Ca 0.31 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3ndn h GLU 182 Cb -0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ndn h GLU 182 CO -0.05 0.22 0.02 -0.07 -1.00 0.00 0.00 179.01 178.13 3ndn h LEU 183 N 0.18 0.64 -0.41 1.33 3.38 -1.29 -2.97 115.31 116.16 3ndn h LEU 183 Ca 0.06 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3ndn h LEU 183 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ndn h LEU 183 CO -0.01 0.70 -0.21 0.00 0.09 0.00 0.00 178.44 179.01 3ndn h ALA 184 N 1.38 0.58 -0.05 1.53 0.00 -1.05 -3.06 119.26 118.58 3ndn h ALA 184 Ca 0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3ndn h ALA 184 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ndn h ALA 184 CO 0.01 0.55 -0.44 0.45 0.00 0.00 0.00 179.25 179.82 3ndn h HIS 185 N 0.69 0.14 0.00 0.00 3.86 -1.27 -1.50 115.15 117.06 3ndn h HIS 185 Ca 0.09 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 3ndn h HIS 185 Cb 0.77 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 3ndn h HIS 185 CO 0.06 0.54 -0.28 0.00 0.86 0.00 0.00 177.93 179.11 3ndn h ALA 186 N 1.45 1.25 -0.06 2.45 0.00 -1.52 -2.51 119.26 120.32 3ndn h ALA 186 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ndn h ALA 186 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ndn h ALA 186 CO 0.06 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3ndn n ALA 187 N -2.35 2.58 -1.00 0.00 0.00 -0.94 -4.95 120.51 113.85 3ndn n ALA 187 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3ndn n ALA 187 Cb 0.37 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3ndn n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndn n GLY 188 N 1.11 0.54 3.90 0.00 0.00 -0.95 -1.80 105.19 107.99 3ndn n GLY 188 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3ndn n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndn s ALA 189 N -2.16 3.58 -0.15 4.61 0.00 -0.61 -4.74 121.76 122.30 3ndn s ALA 189 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 3ndn s ALA 189 Cb 0.00 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 3ndn s ALA 189 CO 0.00 0.25 0.21 0.15 0.00 0.00 0.00 175.76 176.37 3ndn s LYS 190 N -3.49 3.98 -0.25 0.00 -0.14 -0.80 -4.28 119.74 114.76 3ndn s LYS 190 Ca 0.45 -0.03 -0.17 0.00 -1.36 0.00 0.00 55.97 54.86 3ndn s LYS 190 Cb -0.11 -3.34 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 3ndn s LYS 190 CO 0.29 0.45 0.46 0.08 -0.76 0.00 0.00 175.35 175.87 3ndn s VAL 191 N -0.13 5.12 -0.30 3.17 1.01 -1.26 -1.97 120.40 126.04 3ndn s VAL 191 Ca 0.14 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.82 3ndn s VAL 191 Cb -0.12 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3ndn s VAL 191 CO 0.03 0.13 0.10 -0.69 0.00 0.00 0.00 175.10 174.68 3ndn s VAL 192 N 2.06 4.16 -0.23 2.92 1.01 0.36 -1.88 120.40 128.81 3ndn s VAL 192 Ca 0.19 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3ndn s VAL 192 Cb -0.16 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3ndn s VAL 192 CO 0.09 0.07 0.13 -0.22 0.00 0.00 0.00 175.10 175.17 3ndn s LEU 193 N 1.53 4.00 -0.46 3.92 2.96 -0.54 -3.05 118.68 127.03 3ndn s LEU 193 Ca 0.03 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 3ndn s LEU 193 Cb -0.17 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.49 3ndn s LEU 193 CO 0.04 0.08 0.65 -0.62 -1.32 0.00 0.00 176.35 175.18 3ndn s ASP 194 N 0.93 6.30 -0.32 3.68 -1.08 -1.00 -1.56 116.67 123.62 3ndn s ASP 194 Ca 0.06 -0.47 0.09 0.00 -0.52 0.00 0.00 52.55 51.71 3ndn s ASP 194 Cb -0.13 -2.32 0.59 0.00 -1.46 0.00 0.00 42.92 39.60 3ndn s ASP 194 CO 0.03 -0.83 1.64 -3.20 0.52 0.00 0.00 175.17 173.34 3ndn n ASN 195 N 6.30 3.40 -0.08 -0.34 5.15 -1.14 -4.10 115.26 124.45 3ndn n ASN 195 Ca -0.03 -3.54 -0.11 0.00 -0.60 0.00 0.00 54.58 50.30 3ndn n ASN 195 Cb 0.47 -0.70 -0.04 0.00 -0.53 0.00 0.00 39.78 38.98 3ndn n ASN 195 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3ndn h VAL 196 N 1.39 1.26 -0.55 3.44 2.07 -1.92 -2.20 116.25 119.74 3ndn h VAL 196 Ca 0.31 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3ndn h VAL 196 Cb 2.07 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 33.15 3ndn h VAL 196 CO 0.62 0.28 0.20 0.15 0.02 0.00 0.00 177.57 178.85 3ndn h PHE 197 N 0.21 0.36 0.03 1.57 3.57 -1.89 -3.27 116.94 117.52 3ndn h PHE 197 Ca 0.07 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.33 3ndn h PHE 197 Cb 0.42 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3ndn h PHE 197 CO 0.04 0.11 -1.43 0.00 -2.23 0.00 0.00 178.31 174.79 3ndn h ALA 198 N 1.37 0.50 -2.33 2.41 0.00 -1.81 -3.43 119.26 115.97 3ndn h ALA 198 Ca 0.27 -1.19 0.20 0.00 0.00 0.00 0.00 54.91 54.19 3ndn h ALA 198 Cb 0.30 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 3ndn h ALA 198 CO -0.27 1.36 -0.82 0.25 0.00 0.00 0.00 179.25 179.77 3ndn n THR 199 N -3.26 -0.80 0.26 0.00 -2.24 -0.83 -3.67 114.28 103.74 3ndn n THR 199 Ca -0.11 0.68 0.03 0.00 -2.27 0.00 0.00 64.05 62.38 3ndn n THR 199 Cb 1.01 -1.04 0.15 0.00 -2.10 0.00 0.00 70.33 68.36 3ndn n THR 199 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ndn n PRO 200 N -3.37 0.03 0.09 -0.78 -0.04 -1.26 -2.41 135.00 127.26 3ndn n PRO 200 Ca -0.06 0.33 -0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3ndn n PRO 200 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 3ndn n PRO 200 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ndn h LEU 201 N 0.00 0.00 0.00 1.53 4.07 -1.96 -3.39 115.31 115.56 3ndn h LEU 201 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ndn h LEU 201 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3ndn h LEU 201 CO 0.00 0.61 -0.98 0.18 -1.08 0.00 0.00 178.44 177.17 3ndn n LEU 202 N -3.12 0.24 -3.67 1.67 4.77 -1.01 -4.89 117.00 110.98 3ndn n LEU 202 Ca -0.03 -0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 3ndn n LEU 202 Cb 0.81 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.80 3ndn n LEU 202 CO 0.42 0.06 0.05 -1.58 -1.33 0.00 0.00 177.39 175.01 3ndn s GLN 203 N -2.34 0.37 -0.26 3.23 0.74 -1.17 -0.74 119.66 119.48 3ndn s GLN 203 Ca -0.00 0.93 0.02 0.00 0.05 0.00 0.00 55.36 56.36 3ndn s GLN 203 Cb 0.07 0.16 0.07 0.00 1.10 0.00 0.00 33.01 34.41 3ndn s GLN 203 CO 0.42 -0.21 -0.07 -0.65 -0.55 0.00 0.00 175.29 174.24 3ndn s GLN 204 N 2.02 1.93 0.15 1.67 -0.21 -1.26 -4.47 119.66 119.49 3ndn s GLN 204 Ca -0.06 -1.31 0.03 0.00 0.02 0.00 0.00 55.36 54.04 3ndn s GLN 204 Cb -0.10 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 3ndn s GLN 204 CO -0.13 -0.64 1.35 0.78 -2.12 0.00 0.00 175.29 174.53 3ndn h GLY 205 N 7.81 0.16 0.99 3.09 0.00 -1.96 -3.37 103.07 109.79 3ndn h GLY 205 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3ndn h GLY 205 CO 0.45 0.28 0.24 0.74 0.00 0.00 0.00 176.54 178.25 3ndn h PHE 206 N 0.07 0.47 0.00 5.60 0.04 -1.90 -1.85 116.94 119.37 3ndn h PHE 206 Ca -0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3ndn h PHE 206 Cb 1.58 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.57 3ndn h PHE 206 CO 0.02 0.31 0.06 -1.35 -0.60 0.00 0.00 178.31 176.76 3ndn h PRO 207 N 0.49 0.00 -0.16 1.51 0.11 -1.93 -1.10 132.00 130.93 3ndn h PRO 207 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ndn h PRO 207 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3ndn h PRO 207 CO -0.03 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.04 3ndn n LEU 208 N -2.70 2.61 0.00 2.35 4.77 -0.73 -4.95 117.00 118.35 3ndn n LEU 208 Ca -0.02 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3ndn n LEU 208 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3ndn n LEU 208 CO 0.15 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3ndn n GLY 209 N 1.32 0.78 3.77 -0.72 0.00 -0.42 -4.69 105.19 105.23 3ndn n GLY 209 Ca 0.17 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3ndn n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ndn s VAL 210 N -2.00 2.86 -0.05 1.61 1.01 -1.02 -4.91 120.40 117.90 3ndn s VAL 210 Ca 0.00 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.76 3ndn s VAL 210 Cb 0.00 -3.44 -0.25 0.00 0.00 0.00 0.00 36.38 32.68 3ndn s VAL 210 CO 0.00 0.11 0.66 0.44 0.00 0.00 0.00 175.10 176.30 3ndn h ASP 211 N 2.77 0.24 -3.65 3.32 3.32 -1.83 -3.42 116.42 117.17 3ndn h ASP 211 Ca -0.49 -0.44 -0.24 0.00 0.02 0.00 0.00 57.03 55.88 3ndn h ASP 211 Cb 1.24 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 40.42 3ndn h ASP 211 CO 0.63 1.39 -0.65 -0.69 -1.72 0.00 0.00 179.24 178.19 3ndn s VAL 212 N -2.60 -0.02 -0.04 -1.35 1.01 -0.79 -4.19 120.40 112.42 3ndn s VAL 212 Ca -0.11 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.00 3ndn s VAL 212 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 3ndn s VAL 212 CO 0.82 0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 175.07 3ndn s VAL 213 N 0.45 1.55 0.03 2.92 1.01 -0.26 -1.47 120.40 124.63 3ndn s VAL 213 Ca -0.03 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3ndn s VAL 213 Cb -0.05 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3ndn s VAL 213 CO -0.02 0.44 -0.24 0.68 0.00 0.00 0.00 175.10 175.97 3ndn s VAL 214 N -0.14 2.34 -0.01 2.92 -7.23 -0.60 -0.96 120.40 116.72 3ndn s VAL 214 Ca -0.00 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 3ndn s VAL 214 Cb -0.11 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 3ndn s VAL 214 CO 0.01 0.41 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.77 3ndn s TYR 215 N -0.80 1.17 -0.21 2.82 2.02 -0.84 -2.88 117.35 118.63 3ndn s TYR 215 Ca 0.12 -0.23 -0.23 0.00 -0.37 0.00 0.00 57.07 56.35 3ndn s TYR 215 Cb -0.10 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 3ndn s TYR 215 CO 0.02 -0.01 0.75 0.45 -1.57 0.00 0.00 175.55 175.19 3ndn s SER 216 N -0.39 6.81 0.22 2.29 0.15 -1.26 -1.42 113.70 120.10 3ndn s SER 216 Ca 0.05 0.99 0.25 0.00 0.70 0.00 0.00 55.95 57.94 3ndn s SER 216 Cb -0.05 -2.41 0.91 0.00 -1.71 0.00 0.00 66.02 62.76 3ndn s SER 216 CO -0.00 -0.39 1.74 0.61 1.20 0.00 0.00 173.24 176.39 3ndn n GLY 217 N 3.70 -1.46 0.00 9.45 0.00 0.80 -4.66 105.19 113.03 3ndn n GLY 217 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3ndn n GLY 217 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ndn n THR 218 N -2.20 0.00 -0.62 2.61 -1.04 -1.22 -1.27 114.28 110.54 3ndn n THR 218 Ca 0.04 0.00 0.49 0.00 -2.04 0.00 0.00 64.05 62.54 3ndn n THR 218 Cb 0.31 -0.51 0.79 0.00 -1.82 0.00 0.00 70.33 69.10 3ndn n THR 218 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3ndn h HIS 220 N 0.00 0.08 0.12 -1.42 3.86 -1.81 -3.43 115.15 112.56 3ndn h HIS 220 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3ndn h HIS 220 Cb 0.00 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3ndn h HIS 220 CO 0.00 -0.04 -0.35 0.82 0.86 0.00 0.00 177.93 179.22 3ndn h ILE 221 N 0.01 0.26 0.75 2.45 2.04 -1.83 -2.81 117.51 118.39 3ndn h ILE 221 Ca 0.88 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.71 3ndn h ILE 221 Cb 3.43 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 3ndn h ILE 221 CO -0.08 0.00 -0.39 -0.78 0.00 0.00 0.00 178.15 176.90 3ndn h ASP 222 N -0.58 -0.94 0.00 1.72 1.82 -1.45 -3.36 116.42 113.63 3ndn h ASP 222 Ca 0.03 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 3ndn h ASP 222 Cb 0.61 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.88 3ndn h ASP 222 CO -0.21 -0.64 0.00 0.61 -1.61 0.00 0.00 179.24 177.39 3ndn n GLY 223 N -1.55 2.91 0.44 -0.78 0.00 -1.06 -4.78 105.19 100.37 3ndn n GLY 223 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3ndn n GLY 223 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ndn n GLN 224 N -2.00 0.58 -1.84 1.61 6.02 -1.26 -0.71 117.38 119.78 3ndn n GLN 224 Ca 0.00 -1.82 -0.12 0.00 -0.01 0.00 0.00 57.00 55.04 3ndn n GLN 224 Cb 0.00 -0.90 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 3ndn n GLN 224 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ndn n GLY 225 N -0.56 0.53 0.11 1.08 0.00 -1.26 -4.89 105.19 100.19 3ndn n GLY 225 Ca 0.08 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 3ndn n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ndn n ARG 226 N -2.40 0.56 -4.23 1.61 1.74 -1.26 -5.05 116.66 107.63 3ndn n ARG 226 Ca -0.14 0.52 -0.13 0.00 -0.77 0.00 0.00 57.85 57.34 3ndn n ARG 226 Cb 0.52 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3ndn n ARG 226 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ndn s VAL 227 N -2.38 0.41 0.12 1.55 -7.23 -1.26 -5.17 120.40 106.43 3ndn s VAL 227 Ca -0.29 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 57.93 3ndn s VAL 227 Cb 0.07 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3ndn s VAL 227 CO 0.54 -0.31 0.23 -0.76 -0.31 0.00 0.00 175.10 174.49 3ndn s LEU 228 N -3.17 4.25 -0.07 1.32 1.02 -1.26 -4.35 118.68 116.42 3ndn s LEU 228 Ca 0.29 0.16 -0.31 0.00 0.02 0.00 0.00 54.13 54.28 3ndn s LEU 228 Cb 0.07 -2.84 0.13 0.00 0.02 0.00 0.00 46.19 43.57 3ndn s LEU 228 CO 0.06 0.10 1.38 -0.83 0.02 0.00 0.00 176.35 177.09 3ndn s GLY 229 N -2.93 -0.38 0.24 -3.19 0.00 -1.20 -4.76 107.32 95.10 3ndn s GLY 229 Ca 0.34 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.58 3ndn s GLY 229 CO 0.27 2.44 0.53 0.61 0.00 0.00 0.00 173.10 176.96 3ndn n GLY 230 N -0.66 1.27 3.45 0.20 0.00 -0.94 -0.14 105.19 108.37 3ndn n GLY 230 Ca -0.04 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 3ndn n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndn s ALA 231 N -1.69 -1.54 -0.16 4.61 0.00 -0.50 -1.26 121.76 121.20 3ndn s ALA 231 Ca 0.11 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3ndn s ALA 231 Cb -0.03 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3ndn s ALA 231 CO 0.07 -0.44 -0.15 0.42 0.00 0.00 0.00 175.76 175.67 3ndn s ILE 232 N -1.81 2.68 -0.06 0.00 1.01 -0.16 -1.99 121.20 120.86 3ndn s ILE 232 Ca -0.08 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.86 3ndn s ILE 232 Cb -0.01 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3ndn s ILE 232 CO 0.04 0.51 -0.22 -0.76 0.00 0.00 0.00 174.94 174.51 3ndn s LEU 233 N 0.88 2.27 0.00 2.97 1.02 -0.14 -1.58 118.68 124.11 3ndn s LEU 233 Ca -0.04 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.68 3ndn s LEU 233 Cb -0.15 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.63 3ndn s LEU 233 CO -0.01 0.26 0.00 0.61 0.02 0.00 0.00 176.35 177.23 3ndn n GLY 234 N 2.88 1.00 3.77 -3.19 0.00 -0.99 -1.10 105.19 107.56 3ndn n GLY 234 Ca -0.17 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 3ndn n GLY 234 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ndn s ASP 235 N 1.07 5.50 0.22 1.61 1.01 -1.26 -1.98 116.67 122.84 3ndn s ASP 235 Ca 0.00 2.24 -0.09 0.00 0.71 0.00 0.00 52.55 55.41 3ndn s ASP 235 Cb 0.00 -2.59 0.33 0.00 1.01 0.00 0.00 42.92 41.67 3ndn s ASP 235 CO 0.00 -1.37 1.71 -0.09 0.21 0.00 0.00 175.17 175.63 3ndn h ARG 236 N 1.03 0.30 -0.05 8.23 2.43 -1.94 -1.69 114.38 122.70 3ndn h ARG 236 Ca -0.50 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 3ndn h ARG 236 Cb 1.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3ndn h ARG 236 CO 0.56 0.20 -0.32 1.05 -1.51 0.00 0.00 179.97 179.95 3ndn h GLU 237 N 0.31 0.09 -0.04 0.20 -0.00 -1.97 -0.95 114.58 112.22 3ndn h GLU 237 Ca 0.34 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 59.56 3ndn h GLU 237 Cb 0.50 -0.01 0.01 0.00 -0.00 0.00 0.00 28.75 29.25 3ndn h GLU 237 CO -0.40 0.40 -0.38 -0.92 -0.00 0.00 0.00 179.01 177.72 3ndn h TYR 238 N 0.08 0.45 -0.26 2.06 3.20 -1.83 -2.02 116.97 118.65 3ndn h TYR 238 Ca 0.01 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 3ndn h TYR 238 Cb 0.61 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3ndn h TYR 238 CO 0.00 0.99 -0.21 0.82 -1.64 0.00 0.00 178.16 178.13 3ndn h ILE 239 N -0.22 1.31 0.00 1.81 1.08 -1.20 -2.53 117.51 117.76 3ndn h ILE 239 Ca -0.04 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3ndn h ILE 239 Cb 1.07 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 3ndn h ILE 239 CO 0.08 0.42 -0.02 0.47 -0.69 0.00 0.00 178.15 178.41 3ndn n ASP 240 N -4.38 0.32 0.00 1.72 8.00 -0.37 -1.56 116.55 120.29 3ndn n ASP 240 Ca -0.04 0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.97 3ndn n ASP 240 Cb 0.41 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3ndn n ASP 240 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ndn n GLY 241 N 1.43 0.06 0.26 0.44 0.00 -0.76 -4.55 105.19 102.07 3ndn n GLY 241 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3ndn n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ndn h PRO 242 N 0.00 0.55 0.22 1.61 0.13 -1.75 -2.37 132.00 130.39 3ndn h PRO 242 Ca 0.00 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 3ndn h PRO 242 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 3ndn h PRO 242 CO 0.00 0.66 -0.11 0.28 -0.23 0.00 0.00 178.00 178.60 3ndn h VAL 243 N 0.51 0.85 -0.84 1.56 2.07 -1.62 -2.84 116.25 115.93 3ndn h VAL 243 Ca 0.09 -0.41 0.12 0.00 0.82 0.00 0.00 66.70 67.32 3ndn h VAL 243 Cb 0.50 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3ndn h VAL 243 CO 0.03 0.09 0.47 -0.61 0.02 0.00 0.00 177.57 177.57 3ndn h GLN 244 N -0.50 0.71 -0.20 1.57 4.15 -1.22 -1.08 115.11 118.54 3ndn h GLN 244 Ca -0.03 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.36 3ndn h GLN 244 Cb 0.38 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3ndn h GLN 244 CO 0.05 0.47 0.10 -0.22 -1.93 0.00 0.00 178.83 177.30 3ndn h LYS 245 N 0.73 0.20 -0.59 1.69 3.64 -1.41 -1.04 116.57 119.80 3ndn h LYS 245 Ca 0.43 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.73 3ndn h LYS 245 Cb 0.49 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3ndn h LYS 245 CO -0.29 0.14 0.11 -0.07 -2.27 0.00 0.00 179.45 177.07 3ndn h LEU 246 N 0.21 0.89 -0.23 5.20 3.38 -1.17 -2.78 115.31 120.79 3ndn h LEU 246 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ndn h LEU 246 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ndn h LEU 246 CO -0.06 0.88 -0.02 0.24 0.09 0.00 0.00 178.44 179.56 3ndn h MET 247 N 0.89 0.43 -0.30 1.13 2.86 -0.83 -0.87 114.93 118.24 3ndn h MET 247 Ca 0.19 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3ndn h MET 247 Cb 0.36 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3ndn h MET 247 CO 0.01 0.64 0.17 -0.09 1.06 0.00 0.00 176.91 178.69 3ndn h ARG 248 N 0.19 0.42 0.00 1.72 2.43 -1.24 -2.26 114.38 115.64 3ndn h ARG 248 Ca 0.06 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.99 3ndn h ARG 248 Cb 0.46 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 3ndn h ARG 248 CO 0.02 0.35 -1.83 0.72 -1.51 0.00 0.00 179.97 177.72 3ndn n HIS 249 N -4.82 0.49 0.18 2.20 8.25 -1.05 -4.16 115.22 116.31 3ndn n HIS 249 Ca -0.02 0.17 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 3ndn n HIS 249 Cb 0.07 -0.95 -0.07 0.00 1.12 0.00 0.00 29.99 30.17 3ndn n HIS 249 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3ndn n THR 250 N -2.72 0.26 -3.60 1.59 -2.24 -0.33 -5.06 114.28 102.17 3ndn n THR 250 Ca -0.16 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 3ndn n THR 250 Cb 0.89 -0.06 0.07 0.00 -2.10 0.00 0.00 70.33 69.13 3ndn n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ndn n GLY 251 N 1.26 -0.49 2.68 3.38 0.00 -0.85 -4.93 105.19 106.24 3ndn n GLY 251 Ca -0.01 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ndn n GLY 251 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ndn n PRO 252 N -4.76 3.22 -2.99 1.61 -0.04 -1.26 -4.97 135.00 125.81 3ndn n PRO 252 Ca -0.06 -2.78 -0.39 0.00 -0.04 0.00 0.00 63.50 60.23 3ndn n PRO 252 Cb 0.58 -3.11 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 3ndn n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ndn s ALA 253 N 2.26 3.43 0.16 0.55 0.00 -1.26 -1.36 121.76 125.53 3ndn s ALA 253 Ca 0.49 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 3ndn s ALA 253 Cb 0.14 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 3ndn s ALA 253 CO -0.07 0.29 1.18 1.41 0.00 0.00 0.00 175.76 178.58 3ndn s MET 254 N -1.35 4.50 0.27 0.00 1.75 -1.26 -4.22 119.30 118.99 3ndn s MET 254 Ca 0.38 1.82 -0.29 0.00 -1.25 0.00 0.00 55.69 56.35 3ndn s MET 254 Cb -0.22 -3.27 -0.09 0.00 2.84 0.00 0.00 34.83 34.09 3ndn s MET 254 CO 0.25 -0.10 1.12 0.45 -0.65 0.00 0.00 175.02 176.10 3ndn s SER 255 N 0.30 7.22 0.53 1.11 0.15 -1.26 -4.95 113.70 116.80 3ndn s SER 255 Ca 0.54 2.28 0.19 0.00 0.70 0.00 0.00 55.95 59.66 3ndn s SER 255 Cb -0.31 -2.62 1.33 0.00 -1.71 0.00 0.00 66.02 62.71 3ndn s SER 255 CO 0.35 -0.20 2.12 0.00 1.20 0.00 0.00 173.24 176.71 3ndn h ALA 256 N 4.03 2.09 -0.06 5.45 0.00 -1.95 -1.07 119.26 127.74 3ndn h ALA 256 Ca -0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ndn h ALA 256 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ndn h ALA 256 CO 0.68 -0.16 -0.00 0.35 0.00 0.00 0.00 179.25 180.12 3ndn h PHE 257 N 0.00 0.13 -0.83 0.00 3.57 -1.94 -2.47 116.94 115.39 3ndn h PHE 257 Ca 0.06 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3ndn h PHE 257 Cb 0.24 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3ndn h PHE 257 CO 0.00 0.40 0.55 -0.91 -2.23 0.00 0.00 178.31 176.12 3ndn h ASN 258 N -0.19 0.95 -0.91 0.41 4.21 -1.82 -2.19 115.58 116.04 3ndn h ASN 258 Ca 0.02 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3ndn h ASN 258 Cb 0.35 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.28 3ndn h ASN 258 CO 0.00 0.68 0.52 0.00 -1.29 0.00 0.00 177.43 177.35 3ndn h ALA 259 N 1.49 1.16 -0.15 -0.83 0.00 -1.13 -1.04 119.26 118.77 3ndn h ALA 259 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ndn h ALA 259 Cb -0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 3ndn h ALA 259 CO -0.07 0.64 0.05 2.35 0.00 0.00 0.00 179.25 182.22 3ndn h TRP 260 N 1.26 0.23 -0.47 0.00 7.01 -0.94 -1.21 115.95 121.82 3ndn h TRP 260 Ca 0.32 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.38 3ndn h TRP 260 Cb -0.01 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 26.91 3ndn h TRP 260 CO 0.01 0.32 0.07 0.28 -2.79 0.00 0.00 178.44 176.32 3ndn h VAL 261 N 0.07 0.71 -0.22 2.65 2.07 -0.95 -2.68 116.25 117.89 3ndn h VAL 261 Ca 0.05 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 3ndn h VAL 261 Cb 0.20 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3ndn h VAL 261 CO -0.00 0.03 -0.52 -0.07 0.02 0.00 0.00 177.57 177.03 3ndn h LEU 262 N 0.19 0.85 -1.37 2.57 3.38 -1.12 -1.94 115.31 117.88 3ndn h LEU 262 Ca 0.23 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3ndn h LEU 262 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ndn h LEU 262 CO -0.33 1.26 -0.23 0.17 0.09 0.00 0.00 178.44 179.39 3ndn h LEU 263 N 0.48 0.12 -0.20 1.67 8.10 -1.17 -1.76 115.31 122.55 3ndn h LEU 263 Ca -0.00 -0.03 -0.20 0.00 0.11 0.00 0.00 57.88 57.76 3ndn h LEU 263 Cb 1.14 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 41.31 3ndn h LEU 263 CO 0.11 0.36 -0.93 0.11 -4.11 0.00 0.00 178.44 173.99 3ndn h LYS 264 N 0.11 0.10 -0.16 0.17 1.79 -1.47 -3.06 116.57 114.06 3ndn h LYS 264 Ca 0.02 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 3ndn h LYS 264 Cb 0.48 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3ndn h LYS 264 CO 0.03 0.95 -0.05 0.78 -1.08 0.00 0.00 179.45 180.09 3ndn h GLY 265 N 2.25 0.25 2.00 3.86 0.00 -0.65 -2.66 103.07 108.12 3ndn h GLY 265 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3ndn h GLY 265 CO 0.13 0.12 -0.09 1.41 0.00 0.00 0.00 176.54 178.12 3ndn h LEU 266 N 0.23 0.00 -1.15 3.11 3.38 -1.24 -2.82 115.31 116.83 3ndn h LEU 266 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3ndn h LEU 266 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ndn h LEU 266 CO 0.01 0.09 -0.06 -0.33 0.09 0.00 0.00 178.44 178.23 3ndn h GLU 267 N 0.00 0.52 -0.31 1.13 5.08 -1.48 -3.12 114.58 116.40 3ndn h GLU 267 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3ndn h GLU 267 Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3ndn h GLU 267 CO 0.01 0.60 0.00 0.25 -1.00 0.00 0.00 179.01 178.87 3ndn n THR 268 N -4.24 0.45 -0.11 1.13 -2.24 -1.07 -4.54 114.28 103.67 3ndn n THR 268 Ca 0.01 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 3ndn n THR 268 Cb 0.29 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.54 3ndn n THR 268 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ndn h LEU 269 N 3.92 0.11 0.04 3.22 5.85 -1.47 -1.92 115.31 125.06 3ndn h LEU 269 Ca 0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3ndn h LEU 269 Cb 0.89 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3ndn h LEU 269 CO 0.00 0.10 -0.29 0.00 -0.34 0.00 0.00 178.44 177.91 3ndn h ALA 270 N 1.24 -0.43 -0.25 1.25 0.00 -1.83 0.07 119.26 119.30 3ndn h ALA 270 Ca 0.17 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3ndn h ALA 270 Cb 0.15 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ndn h ALA 270 CO -0.18 -0.81 -0.35 -0.84 0.00 0.00 0.00 179.25 177.07 3ndn h ILE 271 N -0.46 1.29 -0.06 0.00 3.07 -1.88 -1.82 117.51 117.65 3ndn h ILE 271 Ca 0.05 -1.48 -0.00 0.00 1.55 0.00 0.00 64.86 64.98 3ndn h ILE 271 Cb 0.53 1.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3ndn h ILE 271 CO -0.22 0.47 0.03 0.03 -1.05 0.00 0.00 178.15 177.41 3ndn h ARG 272 N 0.46 0.09 -0.22 0.16 3.08 -1.18 -2.23 114.38 114.55 3ndn h ARG 272 Ca 0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3ndn h ARG 272 Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3ndn h ARG 272 CO 0.07 0.15 0.09 0.28 -1.07 0.00 0.00 179.97 179.49 3ndn h VAL 273 N -0.00 1.16 -0.68 2.04 2.07 -0.98 -1.54 116.25 118.31 3ndn h VAL 273 Ca 0.02 -0.47 0.14 0.00 0.82 0.00 0.00 66.70 67.21 3ndn h VAL 273 Cb 0.09 1.06 -0.13 0.00 -1.52 0.00 0.00 31.29 30.80 3ndn h VAL 273 CO -0.00 0.15 -0.13 -0.61 0.02 0.00 0.00 177.57 177.00 3ndn h GLN 274 N 0.21 0.02 -0.09 1.57 4.15 -1.34 0.15 115.11 119.78 3ndn h GLN 274 Ca 0.07 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3ndn h GLN 274 Cb 0.16 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 3ndn h GLN 274 CO -0.01 0.01 -0.08 1.25 -1.93 0.00 0.00 178.83 178.08 3ndn h HIS 275 N 0.02 0.25 -0.42 3.99 2.76 -1.23 -2.73 115.15 117.80 3ndn h HIS 275 Ca 0.34 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.33 3ndn h HIS 275 Cb 0.53 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 3ndn h HIS 275 CO -0.51 0.63 -0.13 0.77 -1.30 0.00 0.00 177.93 177.39 3ndn h SER 276 N -0.20 0.76 -0.35 3.26 0.02 -1.08 -1.43 113.55 114.53 3ndn h SER 276 Ca 0.02 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3ndn h SER 276 Cb 0.59 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3ndn h SER 276 CO 0.02 0.91 0.20 -1.13 -1.14 0.00 0.00 176.83 175.69 3ndn h ASN 277 N 0.69 0.44 -0.68 3.07 -1.24 -1.02 0.51 115.58 117.35 3ndn h ASN 277 Ca 0.11 -0.08 -0.07 0.00 0.71 0.00 0.00 56.30 56.97 3ndn h ASN 277 Cb 0.62 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 3ndn h ASN 277 CO 0.04 0.40 0.16 0.00 -1.29 0.00 0.00 177.43 176.74 3ndn h ALA 278 N 1.06 0.98 -0.40 1.57 0.00 -1.36 -1.98 119.26 119.13 3ndn h ALA 278 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ndn h ALA 278 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ndn h ALA 278 CO -0.02 0.66 0.05 1.03 0.00 0.00 0.00 179.25 180.97 3ndn h SER 279 N 1.04 0.66 -0.59 0.00 0.87 -1.13 -2.64 113.55 111.77 3ndn h SER 279 Ca 0.22 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3ndn h SER 279 Cb 0.38 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3ndn h SER 279 CO 0.00 0.76 0.21 0.00 -0.53 0.00 0.00 176.83 177.28 3ndn h ALA 280 N 0.92 1.20 -0.50 6.23 0.00 -0.74 -1.60 119.26 124.77 3ndn h ALA 280 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ndn h ALA 280 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3ndn h ALA 280 CO 0.01 0.57 0.30 0.37 0.00 0.00 0.00 179.25 180.49 3ndn h GLN 281 N 0.91 0.57 -0.68 0.00 5.75 -1.24 0.24 115.11 120.67 3ndn h GLN 281 Ca 0.21 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.60 3ndn h GLN 281 Cb 0.24 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 3ndn h GLN 281 CO -0.01 0.38 0.16 0.00 -2.65 0.00 0.00 178.83 176.71 3ndn h ARG 282 N 0.59 1.09 -0.51 1.69 3.08 -1.09 -2.52 114.38 116.70 3ndn h ARG 282 Ca 0.20 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3ndn h ARG 282 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3ndn h ARG 282 CO -0.09 0.97 -0.14 0.82 -1.07 0.00 0.00 179.97 180.46 3ndn h ILE 283 N 1.02 1.27 -0.59 2.04 2.04 -0.99 -1.93 117.51 120.37 3ndn h ILE 283 Ca 0.21 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 3ndn h ILE 283 Cb 0.38 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3ndn h ILE 283 CO 0.00 0.45 0.29 0.00 0.00 0.00 0.00 178.15 178.90 3ndn h ALA 284 N 0.96 0.75 -0.45 1.87 0.00 -0.89 -1.28 119.26 120.22 3ndn h ALA 284 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ndn h ALA 284 Cb 0.70 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ndn h ALA 284 CO 0.05 0.30 -0.06 0.93 0.00 0.00 0.00 179.25 180.48 3ndn h GLU 285 N 0.80 0.78 -0.23 0.00 5.08 -1.37 -1.06 114.58 118.57 3ndn h GLU 285 Ca 0.20 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3ndn h GLU 285 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ndn h GLU 285 CO -0.03 0.82 0.00 0.35 -1.00 0.00 0.00 179.01 179.15 3ndn h PHE 286 N 0.71 0.45 -0.58 4.33 3.57 -1.08 -2.76 116.94 121.58 3ndn h PHE 286 Ca 0.13 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3ndn h PHE 286 Cb 0.52 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3ndn h PHE 286 CO 0.03 0.59 0.30 -0.07 -2.23 0.00 0.00 178.31 176.92 3ndn h LEU 287 N 0.19 0.74 -1.58 0.59 3.38 -1.18 -2.87 115.31 114.58 3ndn h LEU 287 Ca 0.07 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3ndn h LEU 287 Cb 0.41 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3ndn h LEU 287 CO 0.01 0.64 0.46 -1.13 0.09 0.00 0.00 178.44 178.51 3ndn h ASN 288 N 0.78 0.42 -0.11 -0.43 -1.24 -1.11 -1.84 115.58 112.05 3ndn h ASN 288 Ca 0.20 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3ndn h ASN 288 Cb 0.08 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3ndn h ASN 288 CO -0.03 0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.96 3ndn n GLY 289 N -1.51 0.50 3.78 1.57 0.00 -1.05 -4.96 105.19 103.51 3ndn n GLY 289 Ca 0.12 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3ndn n GLY 289 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ndn s HIS 290 N -1.87 3.77 0.29 1.61 5.65 -0.69 -4.99 115.29 119.06 3ndn s HIS 290 Ca 0.34 1.33 0.30 0.00 0.25 0.00 0.00 55.06 57.29 3ndn s HIS 290 Cb 0.20 -2.62 1.42 0.00 -1.18 0.00 0.00 32.58 30.40 3ndn s HIS 290 CO 0.30 0.46 2.03 -1.35 -0.65 0.00 0.00 174.74 175.53 3ndn h PRO 291 N 5.02 0.00 0.00 2.88 0.11 -1.93 -2.60 132.00 135.48 3ndn h PRO 291 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ndn h PRO 291 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ndn h PRO 291 CO 0.67 0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.99 3ndn n SER 292 N -3.36 0.00 -4.47 -2.05 7.64 -1.26 -4.84 113.62 105.27 3ndn n SER 292 Ca -0.01 -0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.41 3ndn n SER 292 Cb 0.28 -0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 3ndn n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ndn s VAL 293 N -2.60 4.23 -0.06 0.44 1.01 -0.98 -1.45 120.40 120.98 3ndn s VAL 293 Ca 0.28 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 3ndn s VAL 293 Cb 0.20 -2.94 -0.20 0.00 0.00 0.00 0.00 36.38 33.44 3ndn s VAL 293 CO 0.46 0.39 0.98 -0.09 0.00 0.00 0.00 175.10 176.84 3ndn h ARG 294 N 7.73 -0.07 -3.19 2.72 2.43 -0.81 -3.44 114.38 119.75 3ndn h ARG 294 Ca -0.37 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.73 3ndn h ARG 294 Cb 1.18 0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.58 3ndn h ARG 294 CO 0.61 0.53 -0.14 1.67 -1.51 0.00 0.00 179.97 181.12 3ndn s TRP 295 N -3.38 -0.20 0.05 2.20 1.48 -1.22 -5.01 118.94 112.86 3ndn s TRP 295 Ca -0.15 0.08 0.09 0.00 -1.06 0.00 0.00 56.10 55.05 3ndn s TRP 295 Cb -0.00 0.19 -0.03 0.00 -1.16 0.00 0.00 33.47 32.47 3ndn s TRP 295 CO 0.60 -0.58 -0.24 0.08 -4.06 0.00 0.00 176.95 172.75 3ndn s VAL 296 N -2.78 1.97 -0.20 -0.66 1.01 -1.26 -1.80 120.40 116.68 3ndn s VAL 296 Ca -0.03 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.61 3ndn s VAL 296 Cb -0.00 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3ndn s VAL 296 CO -0.05 0.28 -0.16 -0.13 0.00 0.00 0.00 175.10 175.04 3ndn s ARG 297 N -1.30 2.61 -0.25 2.72 1.81 0.55 -4.90 118.95 120.20 3ndn s ARG 297 Ca 0.10 -0.94 -0.12 0.00 -1.72 0.00 0.00 55.73 53.05 3ndn s ARG 297 Cb -0.10 -2.59 0.08 0.00 -0.45 0.00 0.00 34.95 31.89 3ndn s ARG 297 CO 0.02 -0.33 0.58 -0.47 -0.68 0.00 0.00 175.30 174.42 3ndn s TYR 298 N 1.27 -0.97 0.50 -0.53 5.04 -1.26 -2.66 117.35 118.74 3ndn s TYR 298 Ca 0.01 1.89 0.32 0.00 -2.44 0.00 0.00 57.07 56.84 3ndn s TYR 298 Cb -0.15 0.54 1.75 0.00 0.35 0.00 0.00 41.96 44.45 3ndn s TYR 298 CO -0.10 -0.50 2.19 -1.35 -1.34 0.00 0.00 175.55 174.44 3ndn h PRO 299 N 7.33 0.00 -0.67 4.97 0.11 -1.90 -2.13 132.00 139.70 3ndn h PRO 299 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ndn h PRO 299 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ndn h PRO 299 CO 0.18 0.05 0.00 0.66 -0.21 0.00 0.00 178.00 178.68 3ndn n TYR 300 N -3.58 1.11 -3.01 0.65 0.53 -1.26 -4.73 117.16 106.87 3ndn n TYR 300 Ca -0.02 -0.54 -0.41 0.00 -1.02 0.00 0.00 57.90 55.91 3ndn n TYR 300 Cb 0.16 -0.09 -0.05 0.00 -1.03 0.00 0.00 39.34 38.33 3ndn n TYR 300 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3ndn s LEU 301 N -1.30 4.18 0.61 7.72 2.96 -0.80 -4.99 118.68 127.05 3ndn s LEU 301 Ca 0.48 1.02 0.30 0.00 -0.22 0.00 0.00 54.13 55.72 3ndn s LEU 301 Cb 0.27 -3.06 1.71 0.00 0.50 0.00 0.00 46.19 45.61 3ndn s LEU 301 CO 0.29 -0.31 2.09 -0.65 -1.32 0.00 0.00 176.35 176.45 3ndn h PRO 302 N 7.32 0.00 0.00 0.98 0.11 -1.89 -0.84 132.00 137.69 3ndn h PRO 302 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ndn h PRO 302 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ndn h PRO 302 CO 0.80 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 3ndn n SER 303 N -3.63 0.00 -4.74 -2.05 3.41 -1.26 -4.81 113.62 100.54 3ndn n SER 303 Ca 0.01 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 3ndn n SER 303 Cb 0.33 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3ndn n SER 303 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3ndn s HIS 304 N -2.68 2.80 0.62 7.33 5.04 -0.32 -4.88 115.29 123.19 3ndn s HIS 304 Ca 0.18 0.64 0.35 0.00 -1.54 0.00 0.00 55.06 54.70 3ndn s HIS 304 Cb 0.15 -4.09 2.02 0.00 0.04 0.00 0.00 32.58 30.70 3ndn s HIS 304 CO 0.36 -3.82 2.28 -1.00 -2.34 0.00 0.00 174.74 170.21 3ndn h PRO 305 N 5.46 0.00 -0.41 2.88 0.13 -1.91 -2.00 132.00 136.15 3ndn h PRO 305 Ca -0.46 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.41 3ndn h PRO 305 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 3ndn h PRO 305 CO 0.85 0.00 -0.27 1.04 -0.23 0.00 0.00 178.00 179.38 3ndn n GLN 306 N -3.55 2.25 -0.24 0.86 6.02 -1.26 -4.84 117.38 116.61 3ndn n GLN 306 Ca -0.03 -3.45 -0.00 0.00 -0.01 0.00 0.00 57.00 53.51 3ndn n GLN 306 Cb 0.11 -1.91 0.12 0.00 1.02 0.00 0.00 30.24 29.57 3ndn n GLN 306 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3ndn h TYR 307 N 1.34 0.66 -0.77 1.08 3.20 -1.65 -1.39 116.97 119.44 3ndn h TYR 307 Ca 0.24 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 3ndn h TYR 307 Cb 1.43 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.47 3ndn h TYR 307 CO 0.97 0.27 0.36 -0.44 -1.64 0.00 0.00 178.16 177.69 3ndn h ASP 308 N 0.64 1.00 -0.48 -2.11 3.32 -1.88 -1.50 116.42 115.41 3ndn h ASP 308 Ca 0.33 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3ndn h ASP 308 Cb 0.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3ndn h ASP 308 CO -0.23 0.85 -0.07 0.25 -1.72 0.00 0.00 179.24 178.32 3ndn h LEU 309 N 1.09 0.90 -0.72 1.55 5.85 -1.82 -2.31 115.31 119.84 3ndn h LEU 309 Ca 0.26 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3ndn h LEU 309 Cb 0.12 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3ndn h LEU 309 CO -0.03 1.03 0.41 0.00 -0.34 0.00 0.00 178.44 179.51 3ndn h ALA 310 N 0.90 0.99 0.00 1.25 0.00 -0.93 -2.21 119.26 119.26 3ndn h ALA 310 Ca 0.13 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ndn h ALA 310 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ndn h ALA 310 CO 0.04 0.07 -0.36 0.87 0.00 0.00 0.00 179.25 179.87 3ndn h LYS 311 N 0.73 0.00 -0.23 0.00 1.79 -1.18 -0.26 116.57 117.42 3ndn h LYS 311 Ca 0.33 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.64 3ndn h LYS 311 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3ndn h LYS 311 CO -0.20 0.36 -0.49 0.00 -1.08 0.00 0.00 179.45 178.04 3ndn h ARG 312 N 0.00 0.74 -0.00 3.15 3.08 -0.84 -3.40 114.38 117.12 3ndn h ARG 312 Ca -0.00 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3ndn h ARG 312 Cb 0.72 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3ndn h ARG 312 CO 0.05 1.11 -0.19 0.00 -1.07 0.00 0.00 179.97 179.87 3ndn n GLN 313 N -4.12 5.27 -4.42 0.04 10.64 -0.89 -5.02 117.38 118.87 3ndn n GLN 313 Ca -0.05 -0.04 -0.28 0.00 -1.83 0.00 0.00 57.00 54.79 3ndn n GLN 313 Cb 0.59 -0.72 -0.13 0.00 -0.86 0.00 0.00 30.24 29.12 3ndn n GLN 313 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 3ndn s MET 314 N -1.35 1.40 0.00 2.61 -1.94 -0.11 -4.52 119.30 115.39 3ndn s MET 314 Ca 0.02 -1.31 0.23 0.00 -1.71 0.00 0.00 55.69 52.92 3ndn s MET 314 Cb 0.03 -1.84 0.15 0.00 2.01 0.00 0.00 34.83 35.18 3ndn s MET 314 CO 0.17 0.44 1.21 -1.13 -0.01 0.00 0.00 175.02 175.69 3ndn n SER 315 N 1.00 2.79 -3.59 3.03 3.41 0.08 -4.53 113.62 115.81 3ndn n SER 315 Ca -0.18 -1.89 -0.06 0.00 -0.26 0.00 0.00 58.87 56.47 3ndn n SER 315 Cb 0.53 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3ndn n SER 315 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ndn s GLY 316 N -2.00 -0.39 0.31 5.00 0.00 -1.26 -5.06 107.32 103.92 3ndn s GLY 316 Ca 0.26 0.77 0.14 0.00 0.00 0.00 0.00 44.72 45.88 3ndn s GLY 316 CO 0.33 0.24 1.64 -1.33 0.00 0.00 0.00 173.10 173.98 3ndn h GLY 317 N 2.00 0.00 0.00 0.20 0.00 -1.91 -3.47 103.07 99.89 3ndn h GLY 317 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3ndn h GLY 317 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.44 3ndn n GLY 318 N 0.32 -0.14 0.00 4.60 0.00 -1.26 -4.53 105.19 104.18 3ndn n GLY 318 Ca -0.01 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3ndn n GLY 318 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ndn n THR 319 N 0.00 1.04 -5.14 2.61 -2.24 -1.26 -4.28 114.28 105.00 3ndn n THR 319 Ca 0.00 -1.05 -0.30 0.00 -2.27 0.00 0.00 64.05 60.43 3ndn n THR 319 Cb 0.00 0.47 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 3ndn n THR 319 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ndn s VAL 320 N -1.08 1.89 -0.12 2.28 1.01 -1.26 -0.66 120.40 122.47 3ndn s VAL 320 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3ndn s VAL 320 Cb 0.01 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3ndn s VAL 320 CO 0.00 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.74 3ndn s VAL 321 N 0.02 1.87 -0.09 2.92 1.01 -0.34 -4.88 120.40 120.90 3ndn s VAL 321 Ca -0.07 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 3ndn s VAL 321 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3ndn s VAL 321 CO 0.04 0.51 -0.06 -0.89 0.00 0.00 0.00 175.10 174.71 3ndn s THR 322 N 0.77 3.73 0.16 3.92 2.01 -1.09 -0.86 115.64 124.29 3ndn s THR 322 Ca -0.09 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 3ndn s THR 322 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3ndn s THR 322 CO 0.00 0.58 0.27 0.72 -0.69 0.00 0.00 174.62 175.51 3ndn s PHE 323 N -0.57 0.42 -0.04 4.92 -0.12 -0.49 -0.33 117.98 121.76 3ndn s PHE 323 Ca 0.09 -0.78 0.05 0.00 -0.05 0.00 0.00 56.93 56.24 3ndn s PHE 323 Cb -0.12 -0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 3ndn s PHE 323 CO 0.02 -0.71 -0.19 0.00 -0.05 0.00 0.00 175.22 174.29 3ndn s ALA 324 N -3.97 1.63 0.39 1.99 0.00 -0.74 -0.88 121.76 120.17 3ndn s ALA 324 Ca 0.17 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 3ndn s ALA 324 Cb 0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 3ndn s ALA 324 CO 0.00 0.32 1.10 -0.51 0.00 0.00 0.00 175.76 176.67 3ndn s LEU 325 N -0.11 4.19 -0.70 0.00 1.43 -0.75 -0.20 118.68 122.54 3ndn s LEU 325 Ca -0.01 2.18 -0.19 0.00 -1.03 0.00 0.00 54.13 55.08 3ndn s LEU 325 Cb -0.11 -4.07 0.11 0.00 0.03 0.00 0.00 46.19 42.15 3ndn s LEU 325 CO 0.02 -0.54 0.85 -0.62 0.23 0.00 0.00 176.35 176.29 3ndn s ASP 326 N -1.34 6.33 0.04 2.29 2.15 -0.53 -4.47 116.67 121.14 3ndn s ASP 326 Ca 0.56 -1.60 -0.27 0.00 0.43 0.00 0.00 52.55 51.67 3ndn s ASP 326 Cb -0.26 -2.34 0.09 0.00 -0.30 0.00 0.00 42.92 40.11 3ndn s ASP 326 CO 0.33 -1.12 0.80 0.00 -0.17 0.00 0.00 175.17 175.01 3ndn n PRO 328 N -0.26 1.82 0.21 0.00 -0.02 -1.26 -4.85 135.00 130.64 3ndn n PRO 328 Ca -0.11 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 3ndn n PRO 328 Cb 0.63 -2.35 0.45 0.00 -0.02 0.00 0.00 33.50 32.21 3ndn n PRO 328 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ndn h GLU 329 N 1.94 0.00 0.00 -0.52 4.57 -2.00 -2.61 114.58 115.97 3ndn h GLU 329 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3ndn h GLU 329 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3ndn h GLU 329 CO 0.59 0.29 0.00 -0.40 -1.18 0.00 0.00 179.01 178.31 3ndn n ASP 330 N -4.00 0.00 0.00 1.04 5.68 -1.26 -2.81 116.55 115.21 3ndn n ASP 330 Ca -0.02 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 3ndn n ASP 330 Cb 0.36 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 3ndn n ASP 330 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3ndn n VAL 331 N -1.45 0.09 -0.27 2.12 3.14 -1.01 -4.86 118.33 116.09 3ndn n VAL 331 Ca 0.04 -0.41 -0.03 0.00 -2.96 0.00 0.00 64.34 60.98 3ndn n VAL 331 Cb 0.16 1.19 0.13 0.00 -1.06 0.00 0.00 33.84 34.26 3ndn n VAL 331 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ndn h ALA 332 N 0.00 1.21 -0.38 1.55 0.00 -1.31 -2.31 119.26 118.02 3ndn h ALA 332 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ndn h ALA 332 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ndn h ALA 332 CO 0.00 0.61 0.22 -0.22 0.00 0.00 0.00 179.25 179.87 3ndn h LYS 333 N 1.11 0.44 -0.84 0.00 3.64 -1.80 0.43 116.57 119.55 3ndn h LYS 333 Ca 0.27 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3ndn h LYS 333 Cb 0.09 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3ndn h LYS 333 CO -0.04 0.29 0.53 1.96 -2.27 0.00 0.00 179.45 179.92 3ndn h GLN 334 N 0.45 1.13 -0.13 1.90 4.20 -1.82 -1.38 115.11 119.47 3ndn h GLN 334 Ca 0.15 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 3ndn h GLN 334 Cb -0.00 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.54 3ndn h GLN 334 CO -0.07 0.77 -0.34 -0.09 -0.67 0.00 0.00 178.83 178.43 3ndn h ARG 335 N 1.15 0.45 -0.33 1.46 9.65 -0.97 -2.28 114.38 123.51 3ndn h ARG 335 Ca 0.31 -0.32 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3ndn h ARG 335 Cb -0.09 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3ndn h ARG 335 CO -0.06 0.94 0.16 0.00 2.80 0.00 0.00 179.97 183.81 3ndn h ALA 336 N 0.52 0.40 -0.85 2.80 0.00 -0.76 -2.52 119.26 118.84 3ndn h ALA 336 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ndn h ALA 336 Cb 0.96 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3ndn h ALA 336 CO 0.07 -0.22 0.56 0.74 0.00 0.00 0.00 179.25 180.41 3ndn h PHE 337 N 0.34 1.06 -0.85 0.00 -1.00 -1.27 -2.32 116.94 112.90 3ndn h PHE 337 Ca 0.14 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 3ndn h PHE 337 Cb 0.06 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.22 3ndn h PHE 337 CO -0.10 0.66 0.51 1.49 -1.61 0.00 0.00 178.31 179.26 3ndn h GLU 338 N 1.14 1.16 -0.14 1.51 4.81 -1.12 -1.82 114.58 120.12 3ndn h GLU 338 Ca 0.32 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3ndn h GLU 338 Cb -0.11 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.03 3ndn h GLU 338 CO -0.07 0.82 -0.08 0.28 -0.73 0.00 0.00 179.01 179.23 3ndn h VAL 339 N 1.17 1.32 -0.96 0.32 2.07 -1.07 -2.75 116.25 116.36 3ndn h VAL 339 Ca 0.30 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.69 3ndn h VAL 339 Cb -0.03 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3ndn h VAL 339 CO -0.06 0.33 0.63 -0.07 0.02 0.00 0.00 177.57 178.42 3ndn h LEU 340 N -0.05 1.11 -0.42 2.57 4.07 -1.36 -2.57 115.31 118.66 3ndn h LEU 340 Ca 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3ndn h LEU 340 Cb 0.56 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3ndn h LEU 340 CO 0.02 0.81 0.00 0.47 -1.08 0.00 0.00 178.44 178.66 3ndn n ASP 341 N -4.41 0.58 0.04 -0.43 8.00 -0.69 -2.89 116.55 116.75 3ndn n ASP 341 Ca 0.11 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.34 3ndn n ASP 341 Cb 0.02 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 40.42 3ndn n ASP 341 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ndn n LYS 342 N -2.11 0.32 -1.68 -1.24 5.02 -0.97 -4.93 118.16 112.56 3ndn n LYS 342 Ca 0.03 0.02 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 3ndn n LYS 342 Cb 0.27 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3ndn n LYS 342 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ndn n MET 343 N -2.04 2.09 0.00 1.97 2.81 -1.14 -4.68 117.12 116.13 3ndn n MET 343 Ca 0.02 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 3ndn n MET 343 Cb 0.45 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 3ndn n MET 343 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3ndn n ARG 344 N 2.13 2.98 -0.02 0.03 5.12 -1.26 -4.86 116.66 120.78 3ndn n ARG 344 Ca 0.12 -0.20 -0.04 0.00 -1.93 0.00 0.00 57.85 55.80 3ndn n ARG 344 Cb 0.32 -0.67 -0.01 0.00 -1.16 0.00 0.00 32.46 30.94 3ndn n ARG 344 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3ndn n LEU 345 N -0.48 0.26 -4.72 0.55 7.94 -1.26 -5.03 117.00 114.25 3ndn n LEU 345 Ca 0.00 0.04 -0.42 0.00 -1.11 0.00 0.00 56.01 54.53 3ndn n LEU 345 Cb 0.01 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 43.82 3ndn n LEU 345 CO 0.00 0.07 0.89 -0.63 -1.11 0.00 0.00 177.39 176.62 3ndn s ILE 346 N -2.07 3.77 0.29 1.96 1.01 -1.26 -4.94 121.20 119.96 3ndn s ILE 346 Ca -0.05 1.37 -0.19 0.00 0.00 0.00 0.00 60.65 61.77 3ndn s ILE 346 Cb 0.02 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 3ndn s ILE 346 CO 0.06 0.16 0.79 -1.81 0.00 0.00 0.00 174.94 174.14 3ndn s ASP 347 N 0.62 7.00 -0.34 3.58 1.01 -1.13 -4.88 116.67 122.53 3ndn s ASP 347 Ca 0.56 1.48 -0.27 0.00 0.71 0.00 0.00 52.55 55.03 3ndn s ASP 347 Cb -0.31 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.18 3ndn s ASP 347 CO 0.33 -0.10 1.00 -0.63 0.21 0.00 0.00 175.17 175.97 3ndn s ILE 348 N -1.76 4.55 -0.17 0.77 1.01 -1.26 -1.14 121.20 123.20 3ndn s ILE 348 Ca 0.50 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 62.33 3ndn s ILE 348 Cb -0.14 -4.37 0.13 0.00 0.01 0.00 0.00 42.46 38.09 3ndn s ILE 348 CO 0.19 -0.50 1.00 -0.55 0.00 0.00 0.00 174.94 175.08 3ndn s SER 349 N 1.76 -0.38 0.00 3.58 0.15 -0.63 -4.92 113.70 113.27 3ndn s SER 349 Ca 0.42 0.43 0.25 0.00 0.70 0.00 0.00 55.95 57.75 3ndn s SER 349 Cb -0.12 0.34 0.92 0.00 -1.71 0.00 0.00 66.02 65.45 3ndn s SER 349 CO 0.17 -0.33 1.66 -3.20 1.20 0.00 0.00 173.24 172.74 3ndn n ASN 350 N 0.83 1.61 -4.71 5.45 5.15 -1.26 -4.06 115.26 118.26 3ndn n ASN 350 Ca -0.10 -1.59 -0.26 0.00 -0.60 0.00 0.00 54.58 52.03 3ndn n ASN 350 Cb 0.58 -0.04 0.10 0.00 -0.53 0.00 0.00 39.78 39.88 3ndn n ASN 350 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3ndn s ASN 351 N -1.83 4.38 0.05 1.20 3.84 -1.26 -5.04 114.94 116.28 3ndn s ASN 351 Ca 0.36 0.23 -0.01 0.00 0.21 0.00 0.00 52.86 53.65 3ndn s ASN 351 Cb 0.20 -0.70 -0.04 0.00 -0.55 0.00 0.00 41.25 40.16 3ndn s ASN 351 CO 0.31 -1.88 -0.04 -0.76 -2.79 0.00 0.00 177.10 171.95 3ndn s LEU 352 N -5.34 2.46 -0.62 3.21 1.43 -1.26 -4.89 118.68 113.67 3ndn s LEU 352 Ca 0.64 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3ndn s LEU 352 Cb -0.08 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.29 3ndn s LEU 352 CO 0.46 -0.55 0.07 0.61 0.23 0.00 0.00 176.35 177.17 3ndn n GLY 353 N 0.27 0.11 3.71 -3.19 0.00 -1.26 -4.60 105.19 100.23 3ndn n GLY 353 Ca -0.15 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 3ndn n GLY 353 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ndn s ASP 354 N -2.73 5.10 0.52 1.61 -1.08 -1.26 -3.60 116.67 115.22 3ndn s ASP 354 Ca 0.03 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.11 3ndn s ASP 354 Cb -0.01 -1.22 1.41 0.00 -1.46 0.00 0.00 42.92 41.63 3ndn s ASP 354 CO 0.04 0.13 2.07 0.00 0.52 0.00 0.00 175.17 177.93 3ndn h ALA 355 N 3.04 1.34 -2.45 3.66 0.00 -1.26 -3.36 119.26 120.23 3ndn h ALA 355 Ca -0.47 -0.11 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 3ndn h ALA 355 Cb 1.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3ndn h ALA 355 CO 0.60 0.15 0.34 0.15 0.00 0.00 0.00 179.25 180.49 3ndn s LYS 356 N -4.27 4.44 0.35 0.00 1.02 -1.26 -0.84 119.74 119.18 3ndn s LYS 356 Ca -0.03 1.17 -0.27 0.00 0.02 0.00 0.00 55.97 56.86 3ndn s LYS 356 Cb 0.14 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 3ndn s LYS 356 CO 0.60 -0.14 1.12 -1.12 -0.92 0.00 0.00 175.35 174.89 3ndn s SER 357 N 1.00 6.90 0.06 2.83 0.01 -1.26 -4.59 113.70 118.65 3ndn s SER 357 Ca 0.44 2.26 0.02 0.00 1.31 0.00 0.00 55.95 59.99 3ndn s SER 357 Cb -0.19 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 3ndn s SER 357 CO 0.20 -0.40 -0.07 -0.76 0.41 0.00 0.00 173.24 172.61 3ndn s LEU 358 N -2.05 2.32 -0.01 2.44 1.43 -0.81 -2.86 118.68 119.14 3ndn s LEU 358 Ca 0.51 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3ndn s LEU 358 Cb -0.30 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.79 3ndn s LEU 358 CO 0.38 -0.28 -0.10 0.54 0.23 0.00 0.00 176.35 177.12 3ndn s VAL 359 N -1.98 0.80 0.05 -1.59 0.11 -0.30 -0.55 120.40 116.94 3ndn s VAL 359 Ca -0.04 -0.43 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 3ndn s VAL 359 Cb -0.06 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 3ndn s VAL 359 CO -0.01 0.23 0.01 0.28 -3.33 0.00 0.00 175.10 172.28 3ndn s THR 360 N -0.20 0.18 -0.45 5.04 -1.32 -0.73 -1.60 115.64 116.57 3ndn s THR 360 Ca 0.03 -1.51 -0.08 0.00 -1.21 0.00 0.00 61.69 58.93 3ndn s THR 360 Cb -0.04 -1.23 0.11 0.00 -1.51 0.00 0.00 72.50 69.83 3ndn s THR 360 CO -0.00 -0.83 0.30 -2.28 -2.21 0.00 0.00 174.62 169.59 3ndn s HIS 361 N -3.36 3.44 0.34 9.09 2.46 -1.26 -1.91 115.29 124.09 3ndn s HIS 361 Ca 0.02 -1.93 0.02 0.00 0.47 0.00 0.00 55.06 53.64 3ndn s HIS 361 Cb 0.04 -3.33 0.60 0.00 -0.13 0.00 0.00 32.58 29.76 3ndn s HIS 361 CO -0.08 -0.96 2.00 -1.35 -2.47 0.00 0.00 174.74 171.88 3ndn h PRO 362 N 8.36 0.87 0.00 2.88 0.11 -1.95 -2.64 132.00 139.63 3ndn h PRO 362 Ca -0.20 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3ndn h PRO 362 Cb 1.07 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ndn h PRO 362 CO 0.81 0.58 -0.03 0.00 -0.21 0.00 0.00 178.00 179.15 3ndn h ALA 363 N 1.58 1.33 -0.01 -0.75 0.00 -1.86 0.95 119.26 120.51 3ndn h ALA 363 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ndn h ALA 363 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ndn h ALA 363 CO -0.05 0.03 -0.05 0.25 0.00 0.00 0.00 179.25 179.44 3ndn n THR 364 N -3.59 0.00 0.00 0.00 -2.24 -1.06 -4.37 114.28 103.02 3ndn n THR 364 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3ndn n THR 364 Cb 0.12 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3ndn n THR 364 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ndn n THR 365 N 0.28 0.00 -0.26 4.28 -2.24 -0.93 -4.75 114.28 110.67 3ndn n THR 365 Ca 0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 3ndn n THR 365 Cb 0.21 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.50 3ndn n THR 365 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ndn n THR 366 N 0.00 -0.34 -2.27 4.28 -1.04 -1.13 -2.03 114.28 111.76 3ndn n THR 366 Ca 0.00 1.62 -0.25 0.00 -2.04 0.00 0.00 64.05 63.38 3ndn n THR 366 Cb 0.00 -2.18 0.01 0.00 -1.82 0.00 0.00 70.33 66.34 3ndn n THR 366 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3ndn n HIS 367 N -5.07 3.08 -0.07 -1.42 8.25 0.28 -4.80 115.22 115.47 3ndn n HIS 367 Ca 0.09 -2.69 -0.14 0.00 -0.26 0.00 0.00 57.72 54.72 3ndn n HIS 367 Cb 0.31 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 3ndn n HIS 367 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3ndn h ARG 368 N 2.39 0.58 -0.42 -0.41 2.43 -1.54 -3.36 114.38 114.05 3ndn h ARG 368 Ca 0.33 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3ndn h ARG 368 Cb 1.22 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3ndn h ARG 368 CO 0.80 0.95 0.22 0.00 -1.51 0.00 0.00 179.97 180.43 3ndn h ALA 369 N 0.62 0.52 0.00 2.80 0.00 -1.88 -3.13 119.26 118.19 3ndn h ALA 369 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ndn h ALA 369 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ndn h ALA 369 CO 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.19 3ndn n MET 370 N -4.90 0.13 -0.94 0.00 0.00 -1.26 -4.97 117.12 105.17 3ndn n MET 370 Ca 0.02 0.13 0.12 0.00 0.00 0.00 0.00 57.70 57.97 3ndn n MET 370 Cb 0.10 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.77 3ndn n MET 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ndn n GLY 371 N -0.72 -2.46 0.20 3.17 0.00 -1.19 -3.73 105.19 100.46 3ndn n GLY 371 Ca 0.04 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.87 3ndn n GLY 371 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ndn h PRO 372 N -0.91 0.00 -0.12 1.61 0.13 -1.93 -2.86 132.00 127.93 3ndn h PRO 372 Ca -0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 3ndn h PRO 372 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3ndn h PRO 372 CO 0.03 0.34 -0.23 0.93 -0.23 0.00 0.00 178.00 178.84 3ndn h GLU 373 N 0.00 0.36 -0.24 0.86 3.07 -2.01 -2.89 114.58 113.73 3ndn h GLU 373 Ca -0.00 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 3ndn h GLU 373 Cb 0.69 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 3ndn h GLU 373 CO 0.04 0.83 -0.05 0.78 -1.40 0.00 0.00 179.01 179.21 3ndn h GLY 374 N -0.07 0.40 1.03 -3.84 0.00 -1.63 -2.89 103.07 96.08 3ndn h GLY 374 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3ndn h GLY 374 CO 0.05 0.22 -0.29 3.21 0.00 0.00 0.00 176.54 179.73 3ndn h ARG 375 N 0.36 0.80 -0.56 4.80 3.08 -1.54 -3.13 114.38 118.19 3ndn h ARG 375 Ca 0.08 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3ndn h ARG 375 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3ndn h ARG 375 CO 0.01 1.03 0.35 0.00 -1.07 0.00 0.00 179.97 180.30 3ndn h ALA 376 N 0.75 1.56 -0.89 0.04 0.00 -1.37 -1.68 119.26 117.67 3ndn h ALA 376 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3ndn h ALA 376 Cb 0.86 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 3ndn h ALA 376 CO 0.07 0.39 0.51 0.00 0.00 0.00 0.00 179.25 180.23 3ndn h ALA 377 N 1.62 1.35 -0.29 0.00 0.00 -1.45 -2.66 119.26 117.83 3ndn h ALA 377 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ndn h ALA 377 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ndn h ALA 377 CO -0.04 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3ndn n ILE 378 N -4.76 0.36 -0.78 0.00 -5.35 -1.01 -4.97 119.36 102.84 3ndn n ILE 378 Ca 0.17 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 3ndn n ILE 378 Cb 0.39 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 3ndn n ILE 378 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ndn n GLY 379 N 1.47 0.54 3.46 3.28 0.00 -1.00 -5.01 105.19 107.92 3ndn n GLY 379 Ca 0.18 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3ndn n GLY 379 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ndn s LEU 380 N 0.00 5.12 0.96 0.99 2.96 -0.66 -5.01 118.68 123.04 3ndn s LEU 380 Ca 0.00 -3.04 -0.14 0.00 -0.22 0.00 0.00 54.13 50.73 3ndn s LEU 380 Cb 0.00 -2.39 0.17 0.00 0.50 0.00 0.00 46.19 44.47 3ndn s LEU 380 CO 0.00 -0.72 1.17 -0.83 -1.32 0.00 0.00 176.35 174.65 3ndn s GLY 381 N 2.74 1.61 0.00 7.98 0.00 -1.26 -4.56 107.32 113.83 3ndn s GLY 381 Ca 0.42 -0.71 0.14 0.00 0.00 0.00 0.00 44.72 44.57 3ndn s GLY 381 CO -0.00 -0.07 1.41 1.22 0.00 0.00 0.00 173.10 175.66 3ndn n ASP 382 N -3.91 0.00 -0.89 1.64 8.00 -1.26 -2.69 116.55 117.44 3ndn n ASP 382 Ca 0.09 0.30 0.10 0.00 0.71 0.00 0.00 54.79 55.99 3ndn n ASP 382 Cb 0.59 -0.40 0.27 0.00 -0.02 0.00 0.00 41.12 41.56 3ndn n ASP 382 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ndn n GLY 383 N -0.08 1.17 3.76 0.44 0.00 -1.26 -3.81 105.19 105.41 3ndn n GLY 383 Ca 0.05 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 3ndn n GLY 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ndn s VAL 384 N -1.50 5.07 -0.01 1.61 1.01 -1.09 -1.81 120.40 123.68 3ndn s VAL 384 Ca 0.35 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.40 3ndn s VAL 384 Cb 0.19 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3ndn s VAL 384 CO 0.26 0.40 -0.18 -0.69 0.00 0.00 0.00 175.10 174.90 3ndn s VAL 385 N 0.04 1.43 -0.12 2.92 1.01 -0.06 -4.25 120.40 121.38 3ndn s VAL 385 Ca 0.27 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3ndn s VAL 385 Cb -0.16 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3ndn s VAL 385 CO 0.13 0.37 -0.23 -0.60 0.00 0.00 0.00 175.10 174.77 3ndn s ARG 386 N -0.53 3.00 -0.14 2.72 3.52 -0.80 -1.40 118.95 125.32 3ndn s ARG 386 Ca 0.07 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 3ndn s ARG 386 Cb -0.07 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 3ndn s ARG 386 CO -0.00 0.07 -0.15 0.42 -0.81 0.00 0.00 175.30 174.83 3ndn s ILE 387 N 0.61 2.78 -0.31 4.11 1.01 -0.04 -1.78 121.20 127.59 3ndn s ILE 387 Ca -0.12 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 3ndn s ILE 387 Cb -0.17 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3ndn s ILE 387 CO 0.03 0.52 0.32 -0.55 0.00 0.00 0.00 174.94 175.25 3ndn s SER 388 N 0.64 6.15 -0.21 3.58 0.15 0.29 -1.20 113.70 123.11 3ndn s SER 388 Ca -0.08 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.31 3ndn s SER 388 Cb -0.16 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 3ndn s SER 388 CO 0.02 -0.23 0.53 -0.69 1.20 0.00 0.00 173.24 174.07 3ndn s VAL 389 N 1.95 5.09 0.00 4.45 1.01 0.17 -1.92 120.40 131.16 3ndn s VAL 389 Ca 0.11 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3ndn s VAL 389 Cb -0.16 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3ndn s VAL 389 CO 0.11 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3ndn n GLY 390 N 3.93 1.88 0.21 4.51 0.00 -1.26 -4.85 105.19 109.62 3ndn n GLY 390 Ca -0.04 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.85 3ndn n GLY 390 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ndn n LEU 391 N 0.00 1.53 -4.70 0.99 4.77 -0.02 -4.50 117.00 115.07 3ndn n LEU 391 Ca 0.00 -1.10 -0.32 0.00 -0.03 0.00 0.00 56.01 54.55 3ndn n LEU 391 Cb 0.00 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.21 3ndn n LEU 391 CO 0.00 0.33 0.73 -1.61 -1.33 0.00 0.00 177.39 175.52 3ndn s GLU 392 N -0.48 1.55 0.10 3.23 8.01 -1.26 -4.91 118.70 124.94 3ndn s GLU 392 Ca 0.06 1.62 -0.36 0.00 0.01 0.00 0.00 54.97 56.30 3ndn s GLU 392 Cb 0.04 -1.78 -0.16 0.00 -4.31 0.00 0.00 34.13 27.92 3ndn s GLU 392 CO 0.06 -2.25 1.37 -3.47 0.01 0.00 0.00 175.26 170.98 3ndn n ASP 393 N -3.58 1.84 -0.16 -0.19 2.03 -1.26 -4.88 116.55 110.37 3ndn n ASP 393 Ca 0.12 1.12 0.01 0.00 0.52 0.00 0.00 54.79 56.56 3ndn n ASP 393 Cb 0.51 -1.23 0.28 0.00 -0.72 0.00 0.00 41.12 39.97 3ndn n ASP 393 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3ndn h THR 394 N 3.33 1.18 -0.41 5.18 2.02 -1.98 -2.14 112.91 120.10 3ndn h THR 394 Ca -0.47 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 3ndn h THR 394 Cb 1.32 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3ndn h THR 394 CO 0.79 0.18 -0.05 0.44 0.37 0.00 0.00 175.52 177.25 3ndn h ASP 395 N 0.89 0.67 -0.06 4.18 3.32 -2.00 -1.73 116.42 121.70 3ndn h ASP 395 Ca 0.23 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 3ndn h ASP 395 Cb -0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3ndn h ASP 395 CO -0.05 0.78 -0.45 0.44 -1.72 0.00 0.00 179.24 178.24 3ndn h ASP 396 N 0.65 0.64 -0.24 6.45 3.32 -1.77 -2.32 116.42 123.15 3ndn h ASP 396 Ca 0.12 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3ndn h ASP 396 Cb 0.48 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ndn h ASP 396 CO 0.03 1.00 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.26 3ndn h LEU 397 N 0.48 0.60 -0.50 1.55 3.38 -1.27 -2.53 115.31 117.01 3ndn h LEU 397 Ca 0.03 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3ndn h LEU 397 Cb 0.97 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3ndn h LEU 397 CO 0.09 0.94 0.33 0.40 0.09 0.00 0.00 178.44 180.29 3ndn h ILE 398 N 0.26 1.12 -0.58 1.22 2.04 -1.33 -1.38 117.51 118.86 3ndn h ILE 398 Ca 0.04 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.76 3ndn h ILE 398 Cb 0.76 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 3ndn h ILE 398 CO 0.05 0.12 0.21 0.00 0.00 0.00 0.00 178.15 178.54 3ndn h ALA 399 N 1.19 0.74 -0.62 1.87 0.00 -1.43 0.05 119.26 121.06 3ndn h ALA 399 Ca 0.19 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3ndn h ALA 399 Cb -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ndn h ALA 399 CO -0.05 -0.20 0.10 0.22 0.00 0.00 0.00 179.25 179.33 3ndn h ASP 400 N 0.40 0.98 -0.29 0.00 3.58 -1.10 -2.17 116.42 117.82 3ndn h ASP 400 Ca 0.29 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 3ndn h ASP 400 Cb 0.35 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3ndn h ASP 400 CO -0.29 0.99 -0.06 0.40 -2.88 0.00 0.00 179.24 177.40 3ndn h ILE 401 N 0.93 1.28 -0.83 2.25 2.04 -1.04 -2.34 117.51 119.80 3ndn h ILE 401 Ca 0.19 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3ndn h ILE 401 Cb 0.43 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3ndn h ILE 401 CO 0.01 0.34 0.39 -0.78 0.00 0.00 0.00 178.15 178.12 3ndn h ASP 402 N 0.32 1.10 -0.50 1.72 3.58 -0.92 -1.15 116.42 120.57 3ndn h ASP 402 Ca 0.08 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 3ndn h ASP 402 Cb 0.54 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3ndn h ASP 402 CO 0.03 0.93 0.04 0.03 -2.88 0.00 0.00 179.24 177.39 3ndn h ARG 403 N 1.19 0.86 -0.27 0.28 3.08 -1.41 -1.74 114.38 116.37 3ndn h ARG 403 Ca 0.29 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3ndn h ARG 403 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3ndn h ARG 403 CO -0.03 0.88 -0.07 0.00 -1.07 0.00 0.00 179.97 179.67 3ndn h ALA 404 N 0.95 1.38 0.00 0.04 0.00 -0.95 -2.88 119.26 117.81 3ndn h ALA 404 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3ndn h ALA 404 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ndn h ALA 404 CO 0.02 0.42 -0.82 -0.07 0.00 0.00 0.00 179.25 178.80 3ndn h LEU 405 N 0.41 0.00 -1.31 0.00 3.38 -1.16 -3.41 115.31 113.22 3ndn h LEU 405 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ndn h LEU 405 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ndn h LEU 405 CO 0.02 0.73 0.00 -1.20 0.09 0.00 0.00 178.44 178.07