#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 0.00 0.94 2.46 0.24 -1.26 -4.52 118.33 116.19 3ndn n VAL 7 Ca 0.00 -0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.17 3ndn n VAL 7 Cb 0.00 1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.16 0.91 -2.36 7.34 1.74 -1.26 -4.94 116.66 117.94 3ndn n ARG 8 Ca 0.10 -0.55 -0.43 0.00 -0.77 0.00 0.00 57.85 56.20 3ndn n ARG 8 Cb 0.45 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.59 4.08 0.71 0.55 -4.23 -1.26 -5.00 115.64 107.90 3ndn s THR 9 Ca 0.13 1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 61.77 3ndn s THR 9 Cb 0.16 -4.03 0.02 0.00 1.34 0.00 0.00 72.50 69.99 3ndn s THR 9 CO 0.66 -0.36 1.07 -2.16 -0.54 0.00 0.00 174.62 173.29 3ndn s PRO 10 N 4.11 2.80 -0.51 3.99 0.04 -1.26 -4.95 135.00 139.22 3ndn s PRO 10 Ca 0.59 0.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 3ndn s PRO 10 Cb -0.20 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3ndn s PRO 10 CO 0.22 -1.16 2.05 0.21 0.04 0.00 0.00 177.00 178.37 3ndn s LYS 11 N -5.11 2.58 0.29 4.56 2.20 -0.88 -4.97 119.74 118.42 3ndn s LYS 11 Ca 0.58 1.08 -0.29 0.00 -0.36 0.00 0.00 55.97 56.98 3ndn s LYS 11 Cb -0.14 -4.42 -0.10 0.00 -1.51 0.00 0.00 37.83 31.66 3ndn s LYS 11 CO 0.54 -2.75 1.36 0.00 -0.36 0.00 0.00 175.35 174.14 3ndn s ALA 12 N 9.76 3.55 0.46 3.13 0.00 -1.26 -4.62 121.76 132.78 3ndn s ALA 12 Ca 0.81 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 54.01 3ndn s ALA 12 Cb -0.17 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 3ndn s ALA 12 CO 0.25 -0.68 0.74 -0.51 0.00 0.00 0.00 175.76 175.56 3ndn s LEU 13 N -1.17 3.68 0.59 0.00 1.43 -1.26 -5.06 118.68 116.89 3ndn s LEU 13 Ca 0.53 0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 54.23 3ndn s LEU 13 Cb -0.40 -3.71 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 3ndn s LEU 13 CO 0.49 -0.56 0.81 -2.65 0.23 0.00 0.00 176.35 174.67 3ndn n PRO 14 N -2.18 0.76 -1.71 1.29 -0.02 -1.26 -4.90 135.00 126.98 3ndn n PRO 14 Ca -0.00 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 3ndn n PRO 14 Cb 0.56 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3ndn n PRO 14 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ndn n ASP 15 N -0.31 3.12 0.00 2.55 8.00 -1.26 -3.53 116.55 125.12 3ndn n ASP 15 Ca 0.13 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.80 3ndn n ASP 15 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3ndn n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ndn n GLY 16 N 1.59 0.62 3.77 0.44 0.00 -1.26 -5.02 105.19 105.32 3ndn n GLY 16 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.43 2.83 1.06 1.61 -7.23 -1.23 -5.02 120.40 109.99 3ndn s VAL 17 Ca 0.00 0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 60.71 3ndn s VAL 17 Cb 0.00 -3.40 0.22 0.00 0.56 0.00 0.00 36.38 33.76 3ndn s VAL 17 CO 0.00 0.08 1.18 -0.94 -0.31 0.00 0.00 175.10 175.11 3ndn s SER 18 N -0.94 2.21 0.31 4.85 1.04 -1.26 -4.84 113.70 115.07 3ndn s SER 18 Ca 0.58 0.61 0.06 0.00 0.48 0.00 0.00 55.95 57.68 3ndn s SER 18 Cb -0.35 -0.87 0.51 0.00 0.10 0.00 0.00 66.02 65.41 3ndn s SER 18 CO 0.44 -3.32 1.75 -0.61 0.98 0.00 0.00 173.24 172.48 3ndn h GLN 19 N -2.04 0.32 -0.69 4.02 4.15 -1.99 -2.68 115.11 116.20 3ndn h GLN 19 Ca -0.46 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 58.82 3ndn h GLN 19 Cb 1.28 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 3ndn h GLN 19 CO 0.42 0.59 0.37 0.00 -1.93 0.00 0.00 178.83 178.29 3ndn h ALA 20 N 1.41 0.88 -0.41 3.38 0.00 -2.00 -2.27 119.26 120.25 3ndn h ALA 20 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ndn h ALA 20 Cb 0.67 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ndn h ALA 20 CO 0.05 0.40 0.02 1.15 0.00 0.00 0.00 179.25 180.87 3ndn h THR 21 N 0.95 1.26 -0.63 0.00 2.02 -1.87 -3.06 112.91 111.57 3ndn h THR 21 Ca 0.24 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.50 3ndn h THR 21 Cb 0.04 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 3ndn h THR 21 CO -0.04 0.34 0.32 0.58 0.37 0.00 0.00 175.52 177.09 3ndn h VAL 22 N 0.56 0.93 -0.44 3.16 2.07 -1.38 -2.23 116.25 118.91 3ndn h VAL 22 Ca 0.12 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3ndn h VAL 22 Cb 0.46 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ndn h VAL 22 CO 0.02 0.11 0.20 1.23 0.02 0.00 0.00 177.57 179.15 3ndn h GLY 23 N 0.60 0.66 1.46 2.17 0.00 -1.33 0.46 103.07 107.09 3ndn h GLY 23 Ca 0.29 -0.30 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 3ndn h GLY 23 CO -0.20 0.29 -1.20 -2.08 0.00 0.00 0.00 176.54 173.34 3ndn h VAL 24 N 0.62 1.39 0.00 4.60 2.07 -1.40 -3.28 116.25 120.24 3ndn h VAL 24 Ca 0.16 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3ndn h VAL 24 Cb 0.08 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3ndn h VAL 24 CO -0.02 0.81 0.00 0.54 0.02 0.00 0.00 177.57 178.92 3ndn n ARG 25 N -3.68 2.50 -2.09 1.57 1.74 -0.86 -4.96 116.66 110.88 3ndn n ARG 25 Ca -0.10 -0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 56.39 3ndn n ARG 25 Cb 0.98 -0.61 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 3ndn n ARG 25 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ndn s GLY 26 N -0.41 2.98 -0.08 -0.13 0.00 0.16 -3.96 107.32 105.87 3ndn s GLY 26 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.00 3ndn s GLY 26 CO 0.00 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.66 3ndn n GLY 27 N 0.82 0.45 3.76 0.20 0.00 -1.26 -4.42 105.19 104.74 3ndn n GLY 27 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.77 2.99 -0.41 1.61 1.00 -1.25 -4.45 119.30 118.01 3ndn s MET 28 Ca 0.00 1.63 0.05 0.00 0.00 0.00 0.00 55.69 57.38 3ndn s MET 28 Cb 0.00 -1.95 0.20 0.00 0.00 0.00 0.00 34.83 33.07 3ndn s MET 28 CO 0.00 -1.15 0.41 1.28 0.00 0.00 0.00 175.02 175.56 3ndn n LEU 29 N -1.80 -0.20 -4.77 -0.03 4.77 -1.26 -2.07 117.00 111.65 3ndn n LEU 29 Ca 0.12 -4.50 -0.39 0.00 -0.03 0.00 0.00 56.01 51.21 3ndn n LEU 29 Cb 0.51 0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 42.13 3ndn n LEU 29 CO 0.45 1.93 0.89 -0.13 -1.33 0.00 0.00 177.39 179.19 3ndn s ARG 30 N -0.39 4.12 0.98 3.23 0.52 -1.26 -4.95 118.95 121.20 3ndn s ARG 30 Ca 0.34 1.97 -0.16 0.00 -0.52 0.00 0.00 55.73 57.35 3ndn s ARG 30 Cb 0.08 -2.80 0.20 0.00 0.52 0.00 0.00 34.95 32.96 3ndn s ARG 30 CO -0.17 -0.30 1.28 -1.54 0.02 0.00 0.00 175.30 174.60 3ndn s SER 31 N -0.92 2.92 0.29 0.23 1.04 -1.26 -4.92 113.70 111.07 3ndn s SER 31 Ca 0.55 0.36 0.19 0.00 0.48 0.00 0.00 55.95 57.53 3ndn s SER 31 Cb -0.34 -0.47 1.04 0.00 0.10 0.00 0.00 66.02 66.36 3ndn s SER 31 CO 0.43 -2.87 1.59 0.61 0.98 0.00 0.00 173.24 173.99 3ndn n GLY 32 N -3.33 -0.84 0.12 7.32 0.00 -1.26 -1.96 105.19 105.24 3ndn n GLY 32 Ca 0.14 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.47 3ndn n GLY 32 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ndn h PHE 33 N 0.00 0.00 -4.32 1.61 0.04 -2.03 -3.48 116.94 108.76 3ndn h PHE 33 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 3ndn h PHE 33 Cb 0.01 0.00 0.08 0.00 2.20 0.00 0.00 35.95 38.24 3ndn h PHE 33 CO 0.00 0.00 -0.53 0.39 -0.60 0.00 0.00 178.31 177.57 3ndn n GLU 34 N -2.36 -5.23 -1.67 1.51 1.02 -0.83 -4.96 120.64 108.13 3ndn n GLU 34 Ca 0.05 0.72 -0.44 0.00 -0.02 0.00 0.00 57.16 57.47 3ndn n GLU 34 Cb 0.42 -5.28 -0.02 0.00 -0.02 0.00 0.00 31.44 26.54 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 -3.80 1.96 0.13 3.49 0.00 -1.26 -4.94 120.64 116.21 3ndn n GLU 35 Ca -0.05 0.69 -0.13 0.00 0.00 0.00 0.00 57.16 57.68 3ndn n GLU 35 Cb 0.58 -2.29 -0.08 0.00 0.00 0.00 0.00 31.44 29.65 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 2.75 0.77 -4.07 3.84 2.02 -2.01 -3.46 112.91 112.75 3ndn h THR 36 Ca -0.45 -0.67 -0.49 0.00 0.77 0.00 0.00 66.41 65.57 3ndn h THR 36 Cb 1.29 1.12 0.02 0.00 -1.74 0.00 0.00 68.15 68.84 3ndn h THR 36 CO 0.69 0.14 0.31 0.00 0.37 0.00 0.00 175.52 177.03 3ndn s ALA 37 N -4.70 3.16 0.03 6.16 0.00 -1.26 -5.02 121.76 120.14 3ndn s ALA 37 Ca -0.14 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3ndn s ALA 37 Cb 0.02 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 3ndn s ALA 37 CO 0.55 -0.30 1.29 -1.21 0.00 0.00 0.00 175.76 176.10 3ndn s GLU 38 N -4.33 4.35 0.60 0.00 8.01 -1.26 -5.01 118.70 121.07 3ndn s GLU 38 Ca 0.55 1.87 -0.16 0.00 0.01 0.00 0.00 54.97 57.24 3ndn s GLU 38 Cb -0.10 -3.44 -0.03 0.00 -4.31 0.00 0.00 34.13 26.25 3ndn s GLU 38 CO 0.38 -0.42 1.09 0.00 0.01 0.00 0.00 175.26 176.32 3ndn s ALA 39 N 1.68 2.63 -0.33 5.21 0.00 -1.26 -5.05 121.76 124.64 3ndn s ALA 39 Ca 0.61 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 3ndn s ALA 39 Cb -0.31 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.56 3ndn s ALA 39 CO 0.27 -0.95 0.10 1.41 0.00 0.00 0.00 175.76 176.59 3ndn s MET 40 N -3.88 2.65 -0.96 0.00 1.75 -1.26 -4.75 119.30 112.85 3ndn s MET 40 Ca 0.67 -1.15 -0.15 0.00 -1.25 0.00 0.00 55.69 53.80 3ndn s MET 40 Cb -0.19 -3.44 0.19 0.00 2.84 0.00 0.00 34.83 34.22 3ndn s MET 40 CO 0.36 -0.64 1.05 0.71 -0.65 0.00 0.00 175.02 175.85 3ndn s TYR 41 N 1.41 3.55 -1.19 4.11 2.02 -1.26 -4.95 117.35 121.03 3ndn s TYR 41 Ca -0.01 -1.88 -0.16 0.00 -0.37 0.00 0.00 57.07 54.64 3ndn s TYR 41 Cb -0.19 -4.07 0.13 0.00 -0.40 0.00 0.00 41.96 37.42 3ndn s TYR 41 CO 0.03 -1.24 1.49 -0.51 -1.57 0.00 0.00 175.55 173.75 3ndn s LEU 42 N 1.15 4.58 -0.02 -1.29 1.43 -1.26 -4.87 118.68 118.40 3ndn s LEU 42 Ca 0.29 -2.63 -0.03 0.00 -1.03 0.00 0.00 54.13 50.73 3ndn s LEU 42 Cb -0.07 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3ndn s LEU 42 CO -0.08 -0.96 0.08 0.28 0.23 0.00 0.00 176.35 175.91 3ndn s THR 43 N 2.72 0.02 -0.07 5.49 -1.32 -1.26 -5.06 115.64 116.16 3ndn s THR 43 Ca 0.45 -0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 60.70 3ndn s THR 43 Cb -0.01 -0.18 -0.27 0.00 -1.51 0.00 0.00 72.50 70.52 3ndn s THR 43 CO 0.01 -0.10 0.57 0.77 -2.21 0.00 0.00 174.62 173.65 3ndn h SER 44 N 5.65 0.42 -0.34 8.08 4.64 -1.99 -3.43 113.55 126.58 3ndn h SER 44 Ca -0.26 -0.77 -0.66 0.00 -0.47 0.00 0.00 61.79 59.62 3ndn h SER 44 Cb 1.20 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 63.04 3ndn h SER 44 CO 0.44 1.68 -0.47 -0.83 -0.87 0.00 0.00 176.83 176.78 3ndn s GLY 45 N -5.30 2.93 0.09 -0.77 0.00 -1.26 -1.09 107.32 101.92 3ndn s GLY 45 Ca -0.16 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.11 3ndn s GLY 45 CO 0.81 -2.16 -0.07 -0.19 0.00 0.00 0.00 173.10 171.50 3ndn s TYR 46 N -2.87 0.86 0.27 1.90 2.02 -1.26 -4.98 117.35 113.29 3ndn s TYR 46 Ca 0.10 -0.89 0.09 0.00 -0.37 0.00 0.00 57.07 56.01 3ndn s TYR 46 Cb 0.01 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 3ndn s TYR 46 CO 0.06 -0.15 0.01 0.14 -1.57 0.00 0.00 175.55 174.04 3ndn s VAL 47 N -3.44 3.50 0.07 0.71 -7.23 -1.26 -5.03 120.40 107.71 3ndn s VAL 47 Ca 0.10 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 3ndn s VAL 47 Cb 0.04 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 3ndn s VAL 47 CO -0.05 -0.37 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.88 3ndn s TYR 48 N -2.32 1.61 0.30 2.82 2.02 -1.26 -5.05 117.35 115.48 3ndn s TYR 48 Ca 0.32 -0.39 0.21 0.00 -0.37 0.00 0.00 57.07 56.83 3ndn s TYR 48 Cb -0.06 -0.93 0.99 0.00 -0.40 0.00 0.00 41.96 41.56 3ndn s TYR 48 CO 0.20 0.11 1.89 0.78 -1.57 0.00 0.00 175.55 176.97 3ndn h GLY 49 N 4.54 0.00 -2.41 0.71 0.00 -2.01 -3.46 103.07 100.44 3ndn h GLY 49 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3ndn h GLY 49 CO 0.42 0.00 -0.02 -1.35 0.00 0.00 0.00 176.54 175.59 3ndn s SER 50 N -6.45 -0.18 0.42 0.19 1.04 -1.26 -5.03 113.70 102.43 3ndn s SER 50 Ca -0.02 -0.68 0.17 0.00 0.48 0.00 0.00 55.95 55.91 3ndn s SER 50 Cb 0.13 0.59 0.91 0.00 0.10 0.00 0.00 66.02 67.75 3ndn s SER 50 CO 0.66 -1.11 1.89 0.00 0.98 0.00 0.00 173.24 175.65 3ndn h ALA 51 N 2.22 1.33 -0.19 5.32 0.00 -2.00 -2.61 119.26 123.33 3ndn h ALA 51 Ca -0.27 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 3ndn h ALA 51 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ndn h ALA 51 CO 0.35 0.37 -0.59 0.00 0.00 0.00 0.00 179.25 179.38 3ndn h ALA 52 N 1.71 0.61 -0.49 0.00 0.00 -2.00 -2.59 119.26 116.50 3ndn h ALA 52 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3ndn h ALA 52 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3ndn h ALA 52 CO 0.04 0.70 -0.11 0.28 0.00 0.00 0.00 179.25 180.16 3ndn h VAL 53 N 0.46 1.26 -0.46 0.00 2.07 -1.93 -2.55 116.25 115.11 3ndn h VAL 53 Ca -0.00 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ndn h VAL 53 Cb 1.16 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3ndn h VAL 53 CO 0.11 0.42 0.27 0.00 0.02 0.00 0.00 177.57 178.40 3ndn h ALA 54 N 1.07 0.59 -0.45 1.67 0.00 -1.45 -2.01 119.26 118.68 3ndn h ALA 54 Ca 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ndn h ALA 54 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ndn h ALA 54 CO 0.04 0.09 0.29 1.49 0.00 0.00 0.00 179.25 181.17 3ndn h GLU 55 N 0.61 0.58 0.00 0.00 4.81 -1.40 -2.04 114.58 117.14 3ndn h GLU 55 Ca 0.16 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3ndn h GLU 55 Cb 0.01 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3ndn h GLU 55 CO -0.03 0.39 -0.51 0.87 -0.73 0.00 0.00 179.01 178.99 3ndn h LYS 56 N 0.60 0.00 -0.16 1.92 1.57 -1.40 -1.82 116.57 117.28 3ndn h LYS 56 Ca 0.17 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 3ndn h LYS 56 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3ndn h LYS 56 CO -0.04 0.51 -0.51 0.77 -0.57 0.00 0.00 179.45 179.61 3ndn h SER 57 N 0.00 0.73 0.36 0.86 0.02 -1.20 -0.11 113.55 114.21 3ndn h SER 57 Ca -0.01 -0.60 -0.06 0.00 -0.84 0.00 0.00 61.79 60.29 3ndn h SER 57 Cb 1.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3ndn h SER 57 CO 0.07 1.20 -0.30 -0.26 -1.14 0.00 0.00 176.83 176.39 3ndn h PHE 58 N 0.30 0.00 -0.13 3.45 -1.00 -1.30 -2.99 116.94 115.27 3ndn h PHE 58 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3ndn h PHE 58 Cb 1.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.69 3ndn h PHE 58 CO 0.10 0.30 0.00 0.00 -1.61 0.00 0.00 178.31 177.10 3ndn n ALA 59 N -2.44 2.53 -1.02 2.45 0.00 -0.69 -4.92 120.51 116.43 3ndn n ALA 59 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 3ndn n ALA 59 Cb 0.36 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.01 0.28 0.20 0.00 0.00 -1.06 -4.89 105.19 100.74 3ndn n GLY 60 Ca 0.14 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 0.43 0.00 -6.75 1.61 5.08 -1.28 -3.44 114.58 110.23 3ndn h GLU 61 Ca -0.01 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 3ndn h GLU 61 Cb 0.55 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.61 3ndn h GLU 61 CO 0.02 0.14 -0.83 -0.51 -1.00 0.00 0.00 179.01 176.83 3ndn s LEU 62 N -6.30 2.52 -0.04 1.33 1.43 -1.09 -5.00 118.68 111.54 3ndn s LEU 62 Ca 0.06 -0.70 0.10 0.00 -1.03 0.00 0.00 54.13 52.56 3ndn s LEU 62 Cb 0.06 -1.35 0.37 0.00 0.03 0.00 0.00 46.19 45.30 3ndn s LEU 62 CO 0.68 0.16 1.24 -0.90 0.23 0.00 0.00 176.35 177.76 3ndn n ASP 63 N 0.68 2.49 -4.55 2.29 5.75 -1.26 -4.70 116.55 117.25 3ndn n ASP 63 Ca -0.16 -2.15 -0.49 0.00 -0.01 0.00 0.00 54.79 51.99 3ndn n ASP 63 Cb 0.54 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.53 1.01 -1.82 2.11 -0.00 -1.26 -4.77 115.22 111.01 3ndn n HIS 64 Ca 0.13 0.75 -0.35 0.00 0.46 0.00 0.00 57.72 58.71 3ndn n HIS 64 Cb 0.45 -2.22 0.05 0.00 -0.12 0.00 0.00 29.99 28.16 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 -0.45 2.32 0.00 1.57 2.02 -1.26 -4.98 117.35 116.57 3ndn s TYR 65 Ca 0.70 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.95 3ndn s TYR 65 Cb -0.86 -3.44 0.00 0.00 -0.40 0.00 0.00 41.96 37.25 3ndn s TYR 65 CO 0.55 -2.27 0.00 0.28 -1.57 0.00 0.00 175.55 172.54 3ndn n VAL 66 N -2.00 0.00 -3.64 0.71 0.31 -1.26 -4.81 118.33 107.64 3ndn n VAL 66 Ca 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.42 3ndn n VAL 66 Cb 0.50 -0.53 -0.07 0.00 -0.91 0.00 0.00 33.84 32.84 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 -1.73 -0.76 -0.72 3.52 6.14 -1.26 -4.11 117.35 118.44 3ndn s TYR 67 Ca 0.00 1.51 0.16 0.00 0.64 0.00 0.00 57.07 59.38 3ndn s TYR 67 Cb 0.00 0.45 0.71 0.00 0.42 0.00 0.00 41.96 43.54 3ndn s TYR 67 CO 0.00 -0.37 1.49 0.43 0.64 0.00 0.00 175.55 177.74 3ndn n SER 68 N 3.96 0.30 0.09 4.32 7.64 -0.25 -2.06 113.62 127.63 3ndn n SER 68 Ca -0.19 0.59 0.02 0.00 1.01 0.00 0.00 58.87 60.30 3ndn n SER 68 Cb 0.58 -0.65 0.38 0.00 -1.01 0.00 0.00 64.21 63.51 3ndn n SER 68 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3ndn h ARG 69 N 0.00 0.30 0.00 1.43 2.43 -1.95 -3.33 114.38 113.26 3ndn h ARG 69 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ndn h ARG 69 Cb 0.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ndn h ARG 69 CO 0.00 0.40 0.00 2.48 -1.51 0.00 0.00 179.97 181.34 3ndn n TYR 70 N -4.29 0.00 -3.64 2.20 4.11 -0.93 -4.78 117.16 109.82 3ndn n TYR 70 Ca -0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.90 57.78 3ndn n TYR 70 Cb 0.25 -0.01 -0.07 0.00 -0.00 0.00 0.00 39.34 39.51 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 -0.17 0.14 -0.11 -7.48 0.00 -0.88 -5.04 107.32 93.79 3ndn s GLY 71 Ca 0.00 3.24 -0.13 0.00 0.00 0.00 0.00 44.72 47.83 3ndn s GLY 71 CO 0.00 2.40 0.35 0.21 0.00 0.00 0.00 173.10 176.06 3ndn s ASN 72 N 0.90 -0.33 0.27 1.64 3.84 -1.26 -3.50 114.94 116.49 3ndn s ASN 72 Ca -0.04 0.58 -0.04 0.00 0.21 0.00 0.00 52.86 53.57 3ndn s ASN 72 Cb -0.04 0.63 0.36 0.00 -0.55 0.00 0.00 41.25 41.66 3ndn s ASN 72 CO -0.12 -0.20 1.93 -0.65 -2.79 0.00 0.00 177.10 175.27 3ndn h PRO 73 N 5.16 1.20 -0.25 0.43 0.11 -1.99 -1.12 132.00 135.54 3ndn h PRO 73 Ca -0.27 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 3ndn h PRO 73 Cb 1.18 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3ndn h PRO 73 CO 0.31 0.80 -0.20 1.15 -0.21 0.00 0.00 178.00 179.84 3ndn h THR 74 N 1.24 1.31 -0.98 -1.15 2.02 -1.89 -2.97 112.91 110.49 3ndn h THR 74 Ca 0.36 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 66.24 3ndn h THR 74 Cb -0.07 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.91 3ndn h THR 74 CO -0.10 0.42 0.64 0.58 0.37 0.00 0.00 175.52 177.44 3ndn h VAL 75 N 0.29 1.15 -0.71 3.16 2.07 -1.84 -2.64 116.25 117.72 3ndn h VAL 75 Ca 0.05 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3ndn h VAL 75 Cb 0.74 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3ndn h VAL 75 CO 0.05 0.22 0.47 0.28 0.02 0.00 0.00 177.57 178.61 3ndn h SER 76 N 1.22 0.67 -0.39 0.57 0.02 -1.11 -1.16 113.55 113.37 3ndn h SER 76 Ca 0.40 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.29 3ndn h SER 76 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3ndn h SER 76 CO -0.14 0.44 -0.01 0.58 -1.14 0.00 0.00 176.83 176.57 3ndn h VAL 77 N 0.77 1.26 -0.23 2.27 2.07 -1.32 -1.32 116.25 119.75 3ndn h VAL 77 Ca 0.30 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ndn h VAL 77 Cb 0.20 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3ndn h VAL 77 CO -0.10 0.34 0.14 0.15 0.02 0.00 0.00 177.57 178.13 3ndn h PHE 78 N 0.51 0.30 -0.27 1.57 3.57 -1.28 -1.80 116.94 119.54 3ndn h PHE 78 Ca 0.11 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3ndn h PHE 78 Cb 0.48 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3ndn h PHE 78 CO 0.04 0.22 0.06 0.93 -2.23 0.00 0.00 178.31 177.33 3ndn h GLU 79 N 0.29 0.16 -0.16 1.11 5.08 -1.15 -2.19 114.58 117.72 3ndn h GLU 79 Ca 0.08 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3ndn h GLU 79 Cb 0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ndn h GLU 79 CO -0.02 0.11 -0.63 1.49 -1.00 0.00 0.00 179.01 178.96 3ndn h GLU 80 N 0.17 0.60 -0.56 2.33 4.57 -1.17 -2.03 114.58 118.48 3ndn h GLU 80 Ca 0.12 -0.42 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 3ndn h GLU 80 Cb 0.12 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3ndn h GLU 80 CO -0.15 1.04 -0.06 -0.09 -1.18 0.00 0.00 179.01 178.57 3ndn h ARG 81 N 0.44 1.01 -0.38 1.92 2.43 -1.24 -2.27 114.38 116.29 3ndn h ARG 81 Ca -0.01 -0.34 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 3ndn h ARG 81 Cb 1.21 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3ndn h ARG 81 CO 0.12 1.03 -0.30 1.25 -1.51 0.00 0.00 179.97 180.56 3ndn h LEU 82 N 0.91 0.92 -1.04 3.80 5.85 -1.35 -2.49 115.31 121.91 3ndn h LEU 82 Ca 0.15 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3ndn h LEU 82 Cb 0.61 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3ndn h LEU 82 CO 0.04 1.17 0.64 -0.09 -0.34 0.00 0.00 178.44 179.86 3ndn h ARG 83 N 0.68 1.25 -0.14 1.25 2.43 -1.27 -0.67 114.38 117.90 3ndn h ARG 83 Ca 0.07 -0.08 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 3ndn h ARG 83 Cb 0.88 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3ndn h ARG 83 CO 0.08 0.83 -0.80 -0.07 -1.51 0.00 0.00 179.97 178.50 3ndn h LEU 84 N 1.29 0.94 -0.23 3.80 3.38 -1.41 0.43 115.31 123.51 3ndn h LEU 84 Ca 0.37 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ndn h LEU 84 Cb -0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3ndn h LEU 84 CO -0.09 1.43 0.15 0.40 0.09 0.00 0.00 178.44 180.41 3ndn h ILE 85 N 0.53 1.08 -0.19 1.22 2.04 -1.16 -3.19 117.51 117.83 3ndn h ILE 85 Ca -0.06 -0.17 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 3ndn h ILE 85 Cb 1.43 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3ndn h ILE 85 CO 0.16 0.07 -0.49 -0.08 0.00 0.00 0.00 178.15 177.81 3ndn h GLU 86 N 0.30 0.52 -1.08 2.37 4.57 -1.12 -3.48 114.58 116.65 3ndn h GLU 86 Ca 0.08 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3ndn h GLU 86 Cb -0.01 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3ndn h GLU 86 CO -0.02 0.90 0.00 0.41 -1.18 0.00 0.00 179.01 179.12 3ndn n GLY 87 N 0.14 0.88 3.87 1.92 0.00 0.08 -4.93 105.19 107.14 3ndn n GLY 87 Ca -0.02 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.93 3.70 0.19 4.61 0.00 -0.81 -4.99 121.76 121.54 3ndn s ALA 88 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3ndn s ALA 88 Cb 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.77 3ndn s ALA 88 CO 0.00 0.30 1.46 -1.35 0.00 0.00 0.00 175.76 176.17 3ndn h PRO 89 N 1.57 0.26 -3.18 0.00 0.11 -1.90 -3.45 132.00 125.41 3ndn h PRO 89 Ca -0.49 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 65.38 3ndn h PRO 89 Cb 1.23 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 3ndn h PRO 89 CO 0.62 0.89 0.10 0.00 -0.21 0.00 0.00 178.00 179.40 3ndn s ALA 90 N -3.52 -1.16 -0.06 -0.75 0.00 -0.55 -4.72 121.76 111.01 3ndn s ALA 90 Ca -0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 3ndn s ALA 90 Cb 0.11 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.11 3ndn s ALA 90 CO 0.82 -0.82 0.36 0.00 0.00 0.00 0.00 175.76 176.12 3ndn s ALA 91 N -3.84 -0.90 -0.06 0.00 0.00 -1.26 -2.35 121.76 113.35 3ndn s ALA 91 Ca 0.07 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 3ndn s ALA 91 Cb -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.00 3ndn s ALA 91 CO -0.05 -0.24 0.11 0.12 0.00 0.00 0.00 175.76 175.70 3ndn s PHE 92 N -0.85 -0.07 0.42 0.00 5.36 -0.65 -5.00 117.98 117.19 3ndn s PHE 92 Ca -0.09 0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 56.07 3ndn s PHE 92 Cb -0.04 -0.29 -0.11 0.00 -0.34 0.00 0.00 43.02 42.24 3ndn s PHE 92 CO 0.04 -0.20 0.96 0.00 -1.46 0.00 0.00 175.22 174.55 3ndn s ALA 93 N 1.85 3.04 0.18 11.12 0.00 -1.26 -1.25 121.76 135.44 3ndn s ALA 93 Ca -0.01 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3ndn s ALA 93 Cb -0.12 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3ndn s ALA 93 CO -0.05 0.10 -0.01 0.95 0.00 0.00 0.00 175.76 176.75 3ndn s THR 94 N -2.11 0.79 0.39 0.00 -4.23 -0.42 -4.48 115.64 105.57 3ndn s THR 94 Ca 0.61 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.40 3ndn s THR 94 Cb -0.11 -2.13 0.29 0.00 1.34 0.00 0.00 72.50 71.90 3ndn s THR 94 CO 0.15 -0.47 2.05 0.00 -0.54 0.00 0.00 174.62 175.81 3ndn h ALA 95 N 2.66 1.25 -2.81 3.99 0.00 -1.23 -1.52 119.26 121.60 3ndn h ALA 95 Ca -0.37 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.52 3ndn h ALA 95 Cb 1.21 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3ndn h ALA 95 CO 0.63 0.15 0.30 -1.54 0.00 0.00 0.00 179.25 178.79 3ndn s SER 96 N -6.13 -0.27 0.30 0.00 1.04 -1.26 -3.39 113.70 104.00 3ndn s SER 96 Ca -0.02 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3ndn s SER 96 Cb 0.13 0.65 0.46 0.00 0.10 0.00 0.00 66.02 67.35 3ndn s SER 96 CO 0.58 -1.18 1.86 1.23 0.98 0.00 0.00 173.24 176.71 3ndn h GLY 97 N 2.00 0.84 2.00 7.32 0.00 -1.70 -2.78 103.07 110.75 3ndn h GLY 97 Ca -0.22 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 3ndn h GLY 97 CO 0.25 0.43 -0.38 -0.33 0.00 0.00 0.00 176.54 176.51 3ndn h MET 98 N 0.76 0.00 -0.22 4.80 2.86 -1.91 -2.12 114.93 119.10 3ndn h MET 98 Ca 0.17 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3ndn h MET 98 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3ndn h MET 98 CO -0.01 0.38 -0.36 0.00 1.06 0.00 0.00 176.91 177.98 3ndn h ALA 99 N 1.62 0.96 -0.27 6.32 0.00 -1.91 -0.66 119.26 125.32 3ndn h ALA 99 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3ndn h ALA 99 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ndn h ALA 99 CO 0.05 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.91 3ndn h ALA 100 N 1.20 0.36 0.44 0.00 0.00 -1.21 -1.57 119.26 118.48 3ndn h ALA 100 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ndn h ALA 100 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ndn h ALA 100 CO 0.07 0.10 -0.30 0.28 0.00 0.00 0.00 179.25 179.40 3ndn h VAL 101 N 0.25 0.39 -0.45 0.00 2.07 -1.30 -1.48 116.25 115.73 3ndn h VAL 101 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3ndn h VAL 101 Cb 0.42 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3ndn h VAL 101 CO 0.01 0.00 0.18 0.15 0.02 0.00 0.00 177.57 177.93 3ndn h PHE 102 N -0.71 0.68 -0.23 1.57 3.57 -1.17 -2.75 116.94 117.90 3ndn h PHE 102 Ca -0.05 -0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.23 3ndn h PHE 102 Cb 0.60 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3ndn h PHE 102 CO -0.11 0.59 -0.54 1.15 -2.23 0.00 0.00 178.31 177.17 3ndn h THR 103 N 0.58 1.30 -0.53 4.41 2.02 -1.30 -0.88 112.91 118.50 3ndn h THR 103 Ca 0.15 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 3ndn h THR 103 Cb 0.20 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3ndn h THR 103 CO -0.01 0.56 0.21 0.77 0.37 0.00 0.00 175.52 177.41 3ndn h SER 104 N 0.53 0.74 -0.15 4.18 4.64 -1.25 -1.77 113.55 120.48 3ndn h SER 104 Ca 0.01 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 3ndn h SER 104 Cb 1.10 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3ndn h SER 104 CO 0.11 0.71 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.42 3ndn h LEU 105 N 0.72 0.51 -1.68 5.97 3.38 -1.45 -3.18 115.31 119.58 3ndn h LEU 105 Ca 0.18 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.67 3ndn h LEU 105 Cb 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ndn h LEU 105 CO -0.01 0.96 0.35 1.23 0.09 0.00 0.00 178.44 181.06 3ndn h GLY 106 N 0.07 0.50 2.00 0.83 0.00 -1.15 -1.10 103.07 104.22 3ndn h GLY 106 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3ndn h GLY 106 CO 0.06 0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.71 3ndn h ALA 107 N 1.73 1.00 0.00 3.60 0.00 -1.30 -3.10 119.26 121.19 3ndn h ALA 107 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ndn h ALA 107 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ndn h ALA 107 CO -0.06 0.00 -1.92 1.28 0.00 0.00 0.00 179.25 178.55 3ndn n LEU 108 N -2.56 0.08 -3.90 0.00 4.77 -0.53 -4.85 117.00 110.02 3ndn n LEU 108 Ca 0.03 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 3ndn n LEU 108 Cb 0.33 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.26 3ndn n LEU 108 CO 0.26 -0.01 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.13 3ndn s LEU 109 N -4.61 1.97 0.58 2.23 1.43 -0.55 -4.87 118.68 114.86 3ndn s LEU 109 Ca -0.07 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.22 3ndn s LEU 109 Cb 0.14 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.43 3ndn s LEU 109 CO 0.90 -0.21 0.64 -0.83 0.23 0.00 0.00 176.35 177.08 3ndn s GLY 110 N 1.55 2.01 0.15 -3.19 0.00 -1.26 -4.70 107.32 101.87 3ndn s GLY 110 Ca -0.02 -1.74 -0.33 0.00 0.00 0.00 0.00 44.72 42.63 3ndn s GLY 110 CO -0.07 -1.82 1.69 0.00 0.00 0.00 0.00 173.10 172.90 3ndn n ALA 111 N -2.08 1.92 -0.12 3.20 0.00 -1.26 -1.81 120.51 120.37 3ndn n ALA 111 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3ndn n ALA 111 Cb 0.63 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 3.81 0.67 3.93 0.00 0.00 -0.08 -4.97 105.19 108.54 3ndn n GLY 112 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.73 6.26 -0.10 1.61 1.01 -0.75 -4.88 116.67 117.09 3ndn s ASP 113 Ca 0.00 0.66 0.04 0.00 0.71 0.00 0.00 52.55 53.95 3ndn s ASP 113 Cb 0.00 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3ndn s ASP 113 CO 0.00 -0.44 -0.22 -0.60 0.21 0.00 0.00 175.17 174.12 3ndn s ARG 114 N -4.51 3.00 -0.08 8.23 3.52 -1.26 -1.35 118.95 126.50 3ndn s ARG 114 Ca 0.43 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 55.23 3ndn s ARG 114 Cb -0.10 -2.33 -0.00 0.00 -1.56 0.00 0.00 34.95 30.96 3ndn s ARG 114 CO 0.40 0.24 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.73 3ndn s LEU 115 N 0.22 2.02 -0.17 -0.88 2.96 -0.05 -2.16 118.68 120.62 3ndn s LEU 115 Ca -0.14 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3ndn s LEU 115 Cb -0.17 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 3ndn s LEU 115 CO 0.07 0.17 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.48 3ndn s VAL 116 N 0.21 3.06 0.06 1.68 1.01 -0.90 -1.26 120.40 124.26 3ndn s VAL 116 Ca -0.13 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3ndn s VAL 116 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3ndn s VAL 116 CO 0.06 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.54 3ndn s ALA 117 N 0.93 0.87 0.61 5.51 0.00 -0.58 -2.37 121.76 126.73 3ndn s ALA 117 Ca -0.02 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 3ndn s ALA 117 Cb -0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3ndn s ALA 117 CO -0.00 0.06 1.20 0.00 0.00 0.00 0.00 175.76 177.01 3ndn s ALA 118 N -1.43 2.50 0.03 0.00 0.00 -1.03 -1.78 121.76 120.06 3ndn s ALA 118 Ca -0.05 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 3ndn s ALA 118 Cb -0.09 -3.44 -0.35 0.00 0.00 0.00 0.00 23.12 19.23 3ndn s ALA 118 CO 0.01 -1.24 1.01 -0.09 0.00 0.00 0.00 175.76 175.45 3ndn h ARG 119 N 0.70 0.53 -5.86 0.00 2.43 -1.51 -3.42 114.38 107.25 3ndn h ARG 119 Ca -0.50 -0.90 -0.65 0.00 -0.81 0.00 0.00 59.98 57.12 3ndn h ARG 119 Cb 1.29 0.34 -0.08 0.00 -0.42 0.00 0.00 29.97 31.10 3ndn h ARG 119 CO 0.54 1.43 2.05 -1.12 -1.51 0.00 0.00 179.97 181.36 3ndn s SER 120 N -7.57 6.68 0.25 -3.80 0.01 -1.26 -4.94 113.70 103.07 3ndn s SER 120 Ca -0.09 -2.27 0.10 0.00 1.31 0.00 0.00 55.95 55.00 3ndn s SER 120 Cb 0.04 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 3ndn s SER 120 CO 0.95 -1.34 -0.10 -0.76 0.41 0.00 0.00 173.24 172.40 3ndn s LEU 121 N 4.77 2.90 0.24 2.44 1.43 -1.26 -4.71 118.68 124.50 3ndn s LEU 121 Ca 0.54 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3ndn s LEU 121 Cb 0.03 -1.47 -0.14 0.00 0.03 0.00 0.00 46.19 44.64 3ndn s LEU 121 CO 0.06 0.04 1.14 0.33 0.23 0.00 0.00 176.35 178.15 3ndn n PHE 122 N -0.54 1.47 -0.28 0.29 7.35 -1.26 -4.73 117.46 119.75 3ndn n PHE 122 Ca -0.07 0.65 -0.06 0.00 -0.76 0.00 0.00 57.45 57.21 3ndn n PHE 122 Cb 0.58 -2.30 -0.01 0.00 0.35 0.00 0.00 39.48 38.10 3ndn n PHE 122 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3ndn h GLY 123 N 2.82 -0.26 1.86 7.13 0.00 -1.96 0.74 103.07 113.41 3ndn h GLY 123 Ca -0.42 0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3ndn h GLY 123 CO 0.66 -0.16 -0.11 1.76 0.00 0.00 0.00 176.54 178.69 3ndn h SER 124 N -0.12 0.17 -0.69 0.19 0.02 -1.98 -2.55 113.55 108.59 3ndn h SER 124 Ca 0.24 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3ndn h SER 124 Cb 0.56 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 3ndn h SER 124 CO -0.80 0.30 0.15 0.00 -1.14 0.00 0.00 176.83 175.33 3ndn h PHE 126 N 1.05 0.89 -0.73 0.00 3.57 -0.96 -2.29 116.94 118.48 3ndn h PHE 126 Ca 0.21 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3ndn h PHE 126 Cb 0.40 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 3ndn h PHE 126 CO 0.03 0.71 0.46 0.28 -2.23 0.00 0.00 178.31 177.56 3ndn h VAL 127 N 0.81 1.20 -0.38 1.41 2.07 -1.37 0.02 116.25 120.00 3ndn h VAL 127 Ca 0.20 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3ndn h VAL 127 Cb 0.20 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3ndn h VAL 127 CO -0.02 0.20 0.19 0.58 0.02 0.00 0.00 177.57 178.55 3ndn h VAL 128 N 0.99 0.98 0.01 2.57 2.07 -1.23 -0.93 116.25 120.70 3ndn h VAL 128 Ca 0.26 -0.14 -0.25 0.00 0.82 0.00 0.00 66.70 67.40 3ndn h VAL 128 Cb -0.07 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ndn h VAL 128 CO -0.05 0.07 -1.00 0.00 0.02 0.00 0.00 177.57 176.61 3ndn n SER 130 N -3.79 1.00 0.00 0.00 2.88 -0.03 -4.52 113.62 109.15 3ndn n SER 130 Ca -0.09 0.31 -0.03 0.00 -1.33 0.00 0.00 58.87 57.73 3ndn n SER 130 Cb 0.86 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 64.25 3ndn n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3ndn n GLU 131 N -3.08 0.07 0.06 -1.46 1.02 -0.43 -4.63 120.64 112.19 3ndn n GLU 131 Ca -0.22 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 3ndn n GLU 131 Cb 1.06 -0.62 -0.08 0.00 -0.02 0.00 0.00 31.44 31.78 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 -0.13 1.05 -0.43 -3.67 2.04 -1.39 -2.42 117.51 112.57 3ndn h ILE 132 Ca -0.05 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 3ndn h ILE 132 Cb 0.70 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3ndn h ILE 132 CO -0.03 0.12 -0.12 -0.07 0.00 0.00 0.00 178.15 178.05 3ndn h LEU 133 N -0.34 0.85 -1.68 1.44 3.38 -1.58 -3.11 115.31 114.27 3ndn h LEU 133 Ca -0.01 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3ndn h LEU 133 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ndn h LEU 133 CO 0.02 1.03 0.03 -0.65 0.09 0.00 0.00 178.44 178.95 3ndn h PRO 134 N 0.67 0.22 -0.10 1.13 0.11 -1.69 -1.11 132.00 131.23 3ndn h PRO 134 Ca 0.11 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.20 3ndn h PRO 134 Cb 0.66 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 3ndn h PRO 134 CO 0.05 0.22 0.07 -0.09 -0.21 0.00 0.00 178.00 178.04 3ndn h ARG 135 N 0.22 0.08 -0.73 1.05 2.43 -1.36 -0.57 114.38 115.51 3ndn h ARG 135 Ca 0.06 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3ndn h ARG 135 Cb 0.11 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 3ndn h ARG 135 CO -0.00 0.06 0.15 0.91 -1.51 0.00 0.00 179.97 179.57 3ndn n TRP 136 N -4.52 2.06 -0.48 2.20 8.01 -0.44 -4.93 117.44 119.34 3ndn n TRP 136 Ca -0.01 -0.90 0.00 0.00 -1.31 0.00 0.00 57.50 55.27 3ndn n TRP 136 Cb 0.12 -0.57 0.00 0.00 -2.01 0.00 0.00 31.31 28.85 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 0.17 0.75 3.75 6.99 0.00 -0.22 -3.98 105.19 112.65 3ndn n GLY 137 Ca 0.32 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 4.76 -0.17 1.61 1.01 -1.07 -0.90 120.40 123.64 3ndn s VAL 138 Ca 0.00 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.28 3ndn s VAL 138 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3ndn s VAL 138 CO 0.00 0.40 0.62 0.00 0.00 0.00 0.00 175.10 176.12 3ndn s GLN 139 N -0.20 4.26 -0.10 2.72 0.00 -0.46 -4.01 119.66 121.88 3ndn s GLN 139 Ca 0.36 0.63 0.03 0.00 -0.00 0.00 0.00 55.36 56.38 3ndn s GLN 139 Cb -0.20 -3.54 0.00 0.00 0.00 0.00 0.00 33.01 29.28 3ndn s GLN 139 CO 0.21 -0.14 -0.21 0.99 0.00 0.00 0.00 175.29 176.14 3ndn s THR 140 N 1.57 1.85 -0.11 3.63 2.01 -1.26 -0.87 115.64 122.45 3ndn s THR 140 Ca 0.30 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3ndn s THR 140 Cb -0.16 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.74 3ndn s THR 140 CO 0.11 0.51 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.65 3ndn s VAL 141 N 0.51 1.95 -0.05 3.82 1.01 -0.39 -5.00 120.40 122.25 3ndn s VAL 141 Ca -0.16 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 3ndn s VAL 141 Cb -0.17 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3ndn s VAL 141 CO 0.06 0.53 0.21 -0.36 0.00 0.00 0.00 175.10 175.54 3ndn s PHE 142 N 0.58 3.60 0.27 5.22 0.08 -1.26 -1.52 117.98 124.94 3ndn s PHE 142 Ca -0.13 0.56 0.04 0.00 0.12 0.00 0.00 56.93 57.52 3ndn s PHE 142 Cb -0.17 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.26 3ndn s PHE 142 CO 0.04 0.68 -0.00 0.14 -0.10 0.00 0.00 175.22 175.98 3ndn s VAL 143 N -1.16 1.23 -0.37 -0.44 -7.23 -0.73 -4.94 120.40 106.75 3ndn s VAL 143 Ca 0.22 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 3ndn s VAL 143 Cb -0.13 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.34 3ndn s VAL 143 CO 0.11 -0.23 1.08 -1.81 -0.31 0.00 0.00 175.10 173.94 3ndn s ASP 144 N -3.39 6.83 0.52 4.85 1.01 -1.26 -1.17 116.67 124.07 3ndn s ASP 144 Ca 0.31 0.85 0.31 0.00 0.71 0.00 0.00 52.55 54.73 3ndn s ASP 144 Cb 0.06 -2.54 1.45 0.00 1.01 0.00 0.00 42.92 42.90 3ndn s ASP 144 CO 0.11 -0.98 1.86 1.23 0.21 0.00 0.00 175.17 177.60 3ndn h GLY 145 N 10.41 0.13 -1.36 0.21 0.00 -1.93 -1.63 103.07 108.90 3ndn h GLY 145 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ndn h GLY 145 CO 1.06 -0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.68 3ndn n ASP 146 N -4.28 2.17 -4.08 0.19 5.75 -1.26 -4.54 116.55 110.49 3ndn n ASP 146 Ca 0.21 -1.89 -0.34 0.00 -0.01 0.00 0.00 54.79 52.76 3ndn n ASP 146 Cb 1.02 -0.22 -0.13 0.00 -1.03 0.00 0.00 41.12 40.76 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 -1.25 5.02 0.47 -1.12 -1.08 -0.61 -5.00 116.67 113.10 3ndn s ASP 147 Ca 0.31 -2.00 0.20 0.00 -0.52 0.00 0.00 52.55 50.53 3ndn s ASP 147 Cb 0.17 -1.73 1.18 0.00 -1.46 0.00 0.00 42.92 41.07 3ndn s ASP 147 CO 0.23 -0.45 2.02 -0.07 0.52 0.00 0.00 175.17 177.42 3ndn h LEU 148 N 7.87 0.00 -0.53 -1.34 3.38 -1.86 -2.23 115.31 120.59 3ndn h LEU 148 Ca -0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 3ndn h LEU 148 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3ndn h LEU 148 CO 0.61 0.17 -0.72 0.77 0.09 0.00 0.00 178.44 179.36 3ndn h SER 149 N 0.00 0.14 -0.54 -0.43 4.64 -1.96 -1.64 113.55 113.76 3ndn h SER 149 Ca -0.00 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3ndn h SER 149 Cb 0.34 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3ndn h SER 149 CO 0.02 0.81 0.07 1.56 -0.87 0.00 0.00 176.83 178.42 3ndn h GLN 150 N 0.08 0.91 -0.31 4.77 4.20 -1.76 -2.00 115.11 121.00 3ndn h GLN 150 Ca -0.02 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.47 3ndn h GLN 150 Cb 1.27 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 3ndn h GLN 150 CO 0.10 0.89 0.10 -1.49 -0.67 0.00 0.00 178.83 177.76 3ndn h TRP 151 N 0.79 0.17 -0.61 2.96 4.06 -1.39 -2.85 115.95 119.07 3ndn h TRP 151 Ca 0.16 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.14 3ndn h TRP 151 Cb 0.44 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3ndn h TRP 151 CO 0.03 0.07 0.40 1.49 -3.56 0.00 0.00 178.44 176.87 3ndn h GLU 152 N 0.23 0.79 -0.36 0.49 4.81 -0.97 -1.68 114.58 117.88 3ndn h GLU 152 Ca 0.14 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ndn h GLU 152 Cb 0.12 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3ndn h GLU 152 CO -0.15 0.52 0.14 0.00 -0.73 0.00 0.00 179.01 178.79 3ndn h ARG 153 N 0.81 0.54 -0.12 1.92 3.08 -1.39 -3.11 114.38 116.10 3ndn h ARG 153 Ca 0.23 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 3ndn h ARG 153 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3ndn h ARG 153 CO -0.06 0.54 -0.16 0.00 -1.07 0.00 0.00 179.97 179.22 3ndn h ALA 154 N 0.98 1.51 -0.48 0.04 0.00 -1.23 -2.98 119.26 117.09 3ndn h ALA 154 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ndn h ALA 154 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ndn h ALA 154 CO -0.01 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.87 3ndn n LEU 155 N -4.26 3.95 0.18 0.00 4.77 -0.66 -3.99 117.00 116.98 3ndn n LEU 155 Ca -0.01 -2.00 0.12 0.00 -0.03 0.00 0.00 56.01 54.09 3ndn n LEU 155 Cb 0.28 -0.54 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 3ndn n LEU 155 CO 0.38 0.62 0.54 0.77 -1.33 0.00 0.00 177.39 178.37 3ndn h SER 156 N 3.11 0.00 -3.34 -1.43 4.64 -1.50 -3.42 113.55 111.61 3ndn h SER 156 Ca 0.00 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 3ndn h SER 156 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 3ndn h SER 156 CO 0.23 0.00 0.02 -0.69 -0.87 0.00 0.00 176.83 175.52 3ndn s VAL 157 N -3.26 4.98 0.04 0.95 1.01 -1.26 -5.03 120.40 117.85 3ndn s VAL 157 Ca 0.05 1.31 -0.37 0.00 0.00 0.00 0.00 61.98 62.97 3ndn s VAL 157 Cb 0.07 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 3ndn s VAL 157 CO 0.71 0.34 1.45 -2.65 0.00 0.00 0.00 175.10 174.95 3ndn n PRO 158 N 3.26 1.35 -4.23 2.72 -0.02 -1.26 -4.96 135.00 131.86 3ndn n PRO 158 Ca -0.04 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.73 3ndn n PRO 158 Cb 0.51 -2.16 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.10 1.20 -0.19 3.45 2.01 -1.01 -4.88 115.64 117.31 3ndn s THR 159 Ca 0.86 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 61.61 3ndn s THR 159 Cb -0.92 -1.13 -0.21 0.00 0.01 0.00 0.00 72.50 70.25 3ndn s THR 159 CO 0.48 -0.15 0.07 0.00 -0.69 0.00 0.00 174.62 174.32 3ndn n GLN 160 N 1.39 0.69 -3.82 4.92 3.00 -0.92 -3.04 117.38 119.59 3ndn n GLN 160 Ca -0.20 0.17 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 3ndn n GLN 160 Cb 0.54 -1.60 -0.10 0.00 0.00 0.00 0.00 30.24 29.08 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 -0.51 -0.05 -1.58 0.00 -1.15 -2.25 121.76 113.68 3ndn s ALA 161 Ca -0.25 0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.87 3ndn s ALA 161 Cb 0.08 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3ndn s ALA 161 CO 0.70 -0.21 -0.18 0.08 0.00 0.00 0.00 175.76 176.15 3ndn s VAL 162 N -1.17 1.48 -0.04 0.00 1.01 0.08 -2.12 120.40 119.64 3ndn s VAL 162 Ca -0.12 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3ndn s VAL 162 Cb -0.06 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.06 3ndn s VAL 162 CO 0.02 0.43 -0.07 0.12 0.00 0.00 0.00 175.10 175.60 3ndn s PHE 163 N 0.12 0.92 0.19 5.22 5.36 -1.00 -0.25 117.98 128.55 3ndn s PHE 163 Ca -0.06 -0.27 -0.19 0.00 -0.96 0.00 0.00 56.93 55.45 3ndn s PHE 163 Cb -0.13 -0.74 0.04 0.00 -0.34 0.00 0.00 43.02 41.85 3ndn s PHE 163 CO 0.03 -0.19 0.54 -0.59 -1.46 0.00 0.00 175.22 173.56 3ndn s PHE 164 N 0.70 -0.21 0.03 10.12 -0.12 -1.16 -2.45 117.98 124.89 3ndn s PHE 164 Ca -0.11 -0.11 0.06 0.00 -0.05 0.00 0.00 56.93 56.72 3ndn s PHE 164 Cb -0.14 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 3ndn s PHE 164 CO 0.01 -0.91 -0.16 -1.21 -0.05 0.00 0.00 175.22 172.90 3ndn s GLU 165 N -3.85 2.19 -0.20 1.99 2.02 -1.26 -2.42 118.70 117.17 3ndn s GLU 165 Ca 0.07 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 54.05 3ndn s GLU 165 Cb -0.01 -2.26 0.07 0.00 0.10 0.00 0.00 34.13 32.03 3ndn s GLU 165 CO -0.05 0.56 0.48 -0.08 0.02 0.00 0.00 175.26 176.19 3ndn s THR 166 N -0.92 -0.10 0.82 3.63 -1.32 -1.26 -4.24 115.64 112.25 3ndn s THR 166 Ca 0.15 0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.59 3ndn s THR 166 Cb -0.11 -0.71 0.09 0.00 -1.51 0.00 0.00 72.50 70.26 3ndn s THR 166 CO 0.05 0.03 1.14 -2.84 -2.21 0.00 0.00 174.62 170.80 3ndn s PRO 167 N 1.60 1.74 0.91 7.08 0.02 -1.26 -4.71 135.00 140.38 3ndn s PRO 167 Ca -0.09 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 62.28 3ndn s PRO 167 Cb -0.08 -1.81 0.14 0.00 0.02 0.00 0.00 34.50 32.76 3ndn s PRO 167 CO -0.14 -2.08 1.14 -1.54 -0.33 0.00 0.00 177.00 174.05 3ndn s SER 168 N -2.74 3.52 -0.04 2.53 1.04 0.28 -4.89 113.70 113.40 3ndn s SER 168 Ca 0.67 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 58.02 3ndn s SER 168 Cb -0.22 -1.47 0.03 0.00 0.10 0.00 0.00 66.02 64.45 3ndn s SER 168 CO 0.53 -2.54 0.02 0.21 0.98 0.00 0.00 173.24 172.45 3ndn s ASN 169 N -4.09 0.75 0.01 7.02 3.84 -1.26 -2.14 114.94 119.07 3ndn s ASN 169 Ca 0.64 0.01 0.23 0.00 0.21 0.00 0.00 52.86 53.94 3ndn s ASN 169 Cb -0.14 -0.20 0.02 0.00 -0.55 0.00 0.00 41.25 40.37 3ndn s ASN 169 CO 0.53 -0.16 1.04 -0.81 -2.79 0.00 0.00 177.10 174.90 3ndn n PRO 170 N 4.64 0.11 0.13 0.43 -0.04 -1.26 -4.84 135.00 134.17 3ndn n PRO 170 Ca -0.17 -0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.40 3ndn n PRO 170 Cb 0.50 -1.52 0.46 0.00 -0.04 0.00 0.00 33.50 32.90 3ndn n PRO 170 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3ndn h MET 171 N 0.00 0.00 -5.42 0.54 2.86 -1.95 -3.44 114.93 107.51 3ndn h MET 171 Ca 0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.24 3ndn h MET 171 Cb 0.58 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.36 3ndn h MET 171 CO 0.00 0.00 -0.65 1.04 1.06 0.00 0.00 176.91 178.36 3ndn n GLN 172 N -2.32 -7.12 -2.47 1.72 6.02 -0.91 -4.96 117.38 107.35 3ndn n GLN 172 Ca 0.03 0.84 -0.33 0.00 -0.01 0.00 0.00 57.00 57.54 3ndn n GLN 172 Cb 0.32 -5.81 -0.04 0.00 1.02 0.00 0.00 30.24 25.74 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 -3.16 6.56 0.21 1.08 1.04 -1.26 -4.61 113.70 113.56 3ndn s SER 173 Ca 0.51 1.66 0.08 0.00 0.48 0.00 0.00 55.95 58.69 3ndn s SER 173 Cb -0.22 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3ndn s SER 173 CO 0.63 -0.63 -0.02 -0.76 0.98 0.00 0.00 173.24 173.44 3ndn s LEU 174 N -3.86 3.20 -0.03 2.42 1.43 -1.26 -0.56 118.68 120.02 3ndn s LEU 174 Ca 0.61 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3ndn s LEU 174 Cb -0.11 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3ndn s LEU 174 CO 0.26 0.06 -0.14 -0.69 0.23 0.00 0.00 176.35 176.08 3ndn s VAL 175 N -1.95 3.11 -0.71 -1.59 1.01 -1.26 -4.07 120.40 114.94 3ndn s VAL 175 Ca 0.28 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3ndn s VAL 175 Cb -0.08 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3ndn s VAL 175 CO 0.18 0.53 1.32 -0.62 0.00 0.00 0.00 175.10 176.52 3ndn s ASP 176 N -0.92 6.12 0.08 3.32 -1.08 -1.26 -4.92 116.67 118.01 3ndn s ASP 176 Ca 0.13 -0.30 -0.30 0.00 -0.52 0.00 0.00 52.55 51.56 3ndn s ASP 176 Cb -0.11 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.64 3ndn s ASP 176 CO 0.02 -1.84 1.65 0.40 0.52 0.00 0.00 175.17 175.92 3ndn h ILE 177 N 6.12 0.49 -0.20 4.11 2.04 -1.98 -1.79 117.51 126.30 3ndn h ILE 177 Ca -0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.62 3ndn h ILE 177 Cb 1.06 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3ndn h ILE 177 CO 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 179.36 3ndn h ALA 178 N -0.08 0.13 -0.41 1.87 0.00 -1.91 -1.24 119.26 117.61 3ndn h ALA 178 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ndn h ALA 178 Cb 0.51 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ndn h ALA 178 CO 0.06 -0.48 0.14 0.00 0.00 0.00 0.00 179.25 178.97 3ndn h ALA 179 N 1.19 0.54 -0.65 0.00 0.00 -1.93 -2.60 119.26 115.81 3ndn h ALA 179 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ndn h ALA 179 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ndn h ALA 179 CO -0.20 0.17 0.12 0.28 0.00 0.00 0.00 179.25 179.62 3ndn h VAL 180 N 0.53 1.26 -0.80 0.00 2.07 -1.21 -2.92 116.25 115.17 3ndn h VAL 180 Ca 0.14 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3ndn h VAL 180 Cb 0.24 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3ndn h VAL 180 CO -0.01 0.37 0.43 0.74 0.02 0.00 0.00 177.57 179.12 3ndn h THR 181 N 0.99 1.24 -0.27 2.57 2.02 -1.14 -1.31 112.91 117.01 3ndn h THR 181 Ca 0.20 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3ndn h THR 181 Cb 0.40 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3ndn h THR 181 CO 0.01 0.28 0.18 -0.33 0.37 0.00 0.00 175.52 176.02 3ndn h GLU 182 N 1.12 0.36 -0.48 6.66 5.08 -1.33 -1.53 114.58 124.45 3ndn h GLU 182 Ca 0.28 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3ndn h GLU 182 Cb 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3ndn h GLU 182 CO -0.04 0.25 0.06 -0.07 -1.00 0.00 0.00 179.01 178.21 3ndn h LEU 183 N 0.36 0.72 -0.27 1.33 3.38 -1.31 -2.98 115.31 116.54 3ndn h LEU 183 Ca 0.10 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3ndn h LEU 183 Cb -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ndn h LEU 183 CO -0.02 0.75 -0.28 0.00 0.09 0.00 0.00 178.44 178.98 3ndn h ALA 184 N 1.34 0.39 0.00 1.53 0.00 -1.08 -3.18 119.26 118.26 3ndn h ALA 184 Ca 0.15 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3ndn h ALA 184 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ndn h ALA 184 CO 0.01 0.40 -0.18 0.45 0.00 0.00 0.00 179.25 179.93 3ndn h HIS 185 N 0.38 0.00 0.00 0.00 3.86 -1.18 -0.91 115.15 117.30 3ndn h HIS 185 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3ndn h HIS 185 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3ndn h HIS 185 CO 0.07 0.18 0.00 0.00 0.86 0.00 0.00 177.93 179.04 3ndn n ALA 186 N -2.33 2.09 0.36 2.45 0.00 -1.14 -2.18 120.51 119.76 3ndn n ALA 186 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.48 3ndn n ALA 186 Cb 0.29 -1.41 0.17 0.00 0.00 0.00 0.00 19.45 18.50 3ndn n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ndn n ALA 187 N -1.61 2.41 -1.16 0.00 0.00 -0.42 -4.96 120.51 114.77 3ndn n ALA 187 Ca 0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 53.44 52.51 3ndn n ALA 187 Cb 0.31 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 1.28 0.80 3.90 0.00 0.00 -0.93 -2.41 105.19 107.84 3ndn n GLY 188 Ca 0.16 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.20 3.76 -0.14 4.61 0.00 -0.79 -4.70 121.76 122.30 3ndn s ALA 189 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 3ndn s ALA 189 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 3ndn s ALA 189 CO 0.00 0.56 0.13 0.15 0.00 0.00 0.00 175.76 176.60 3ndn s LYS 190 N -2.91 3.63 -0.27 0.00 -0.14 -0.96 -4.26 119.74 114.83 3ndn s LYS 190 Ca 0.41 -0.16 -0.11 0.00 -1.36 0.00 0.00 55.97 54.76 3ndn s LYS 190 Cb -0.12 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.74 3ndn s LYS 190 CO 0.26 0.65 0.17 0.08 -0.76 0.00 0.00 175.35 175.75 3ndn s VAL 191 N -0.66 5.23 -0.30 3.17 1.01 -1.26 -0.74 120.40 126.85 3ndn s VAL 191 Ca 0.13 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 3ndn s VAL 191 Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3ndn s VAL 191 CO 0.02 0.28 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 3ndn s VAL 192 N 1.57 4.17 -0.21 2.92 1.01 0.66 -1.46 120.40 129.06 3ndn s VAL 192 Ca 0.07 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3ndn s VAL 192 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3ndn s VAL 192 CO 0.09 0.09 0.10 -0.22 0.00 0.00 0.00 175.10 175.16 3ndn s LEU 193 N 1.54 3.94 -0.37 3.92 2.96 -0.13 -2.98 118.68 127.56 3ndn s LEU 193 Ca 0.03 0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.84 3ndn s LEU 193 Cb -0.17 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3ndn s LEU 193 CO 0.04 0.12 0.57 -0.62 -1.32 0.00 0.00 176.35 175.14 3ndn s ASP 194 N 0.68 6.35 -0.25 3.68 -1.08 -1.02 -1.43 116.67 123.61 3ndn s ASP 194 Ca 0.05 -0.05 0.12 0.00 -0.52 0.00 0.00 52.55 52.15 3ndn s ASP 194 Cb -0.13 -2.29 0.51 0.00 -1.46 0.00 0.00 42.92 39.55 3ndn s ASP 194 CO 0.01 -0.57 1.45 -3.20 0.52 0.00 0.00 175.17 173.38 3ndn n ASN 195 N 5.92 3.00 -0.09 -0.34 5.15 -1.08 -4.18 115.26 123.64 3ndn n ASN 195 Ca -0.03 -3.47 -0.11 0.00 -0.60 0.00 0.00 54.58 50.36 3ndn n ASN 195 Cb 0.49 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.10 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 1.24 1.27 -0.74 3.44 2.07 -1.94 -2.20 116.25 119.39 3ndn h VAL 196 Ca 0.14 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.73 3ndn h VAL 196 Cb 1.59 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 3ndn h VAL 196 CO 0.33 0.32 0.40 0.15 0.02 0.00 0.00 177.57 178.79 3ndn h PHE 197 N 0.27 0.72 0.00 1.57 3.57 -1.90 -3.22 116.94 117.95 3ndn h PHE 197 Ca 0.07 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.36 3ndn h PHE 197 Cb 0.50 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3ndn h PHE 197 CO 0.05 0.28 -1.53 0.00 -2.23 0.00 0.00 178.31 174.88 3ndn h ALA 198 N 1.43 0.71 -1.54 2.41 0.00 -1.83 -3.43 119.26 117.00 3ndn h ALA 198 Ca 0.36 -1.21 0.16 0.00 0.00 0.00 0.00 54.91 54.22 3ndn h ALA 198 Cb 0.34 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3ndn h ALA 198 CO -0.25 1.33 -0.52 0.25 0.00 0.00 0.00 179.25 180.06 3ndn n THR 199 N -3.03 -0.29 0.31 0.00 -2.24 -0.83 -3.75 114.28 104.45 3ndn n THR 199 Ca -0.13 0.36 0.19 0.00 -2.27 0.00 0.00 64.05 62.21 3ndn n THR 199 Cb 0.97 -0.58 1.06 0.00 -2.10 0.00 0.00 70.33 69.68 3ndn n THR 199 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ndn h PRO 200 N -0.63 0.00 0.00 -0.78 0.11 -1.81 -3.16 132.00 125.73 3ndn h PRO 200 Ca -0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 3ndn h PRO 200 Cb 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3ndn h PRO 200 CO 0.03 0.00 -0.73 -0.07 -0.21 0.00 0.00 178.00 177.02 3ndn h LEU 201 N 0.00 0.00 0.00 2.35 4.07 -1.96 -3.37 115.31 116.40 3ndn h LEU 201 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ndn h LEU 201 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3ndn h LEU 201 CO -0.00 0.41 -0.71 0.18 -1.08 0.00 0.00 178.44 177.24 3ndn n LEU 202 N -3.07 0.51 -3.68 1.67 4.77 -1.20 -4.87 117.00 111.14 3ndn n LEU 202 Ca -0.01 -0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.43 3ndn n LEU 202 Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 3ndn n LEU 202 CO 0.40 0.13 0.04 -1.58 -1.33 0.00 0.00 177.39 175.05 3ndn s GLN 203 N -2.26 0.36 -0.26 3.23 0.74 -1.23 -1.27 119.66 118.97 3ndn s GLN 203 Ca 0.04 0.87 0.01 0.00 0.05 0.00 0.00 55.36 56.32 3ndn s GLN 203 Cb 0.09 0.09 0.05 0.00 1.10 0.00 0.00 33.01 34.34 3ndn s GLN 203 CO 0.51 -0.19 -0.08 -0.65 -0.55 0.00 0.00 175.29 174.33 3ndn s GLN 204 N 1.83 2.47 0.06 1.67 -0.21 -1.26 -4.61 119.66 119.60 3ndn s GLN 204 Ca -0.07 -1.21 -0.05 0.00 0.02 0.00 0.00 55.36 54.05 3ndn s GLN 204 Cb -0.10 -2.97 -0.29 0.00 1.00 0.00 0.00 33.01 30.66 3ndn s GLN 204 CO -0.13 -0.52 1.10 0.78 -2.12 0.00 0.00 175.29 174.39 3ndn h GLY 205 N 7.90 0.32 0.99 3.09 0.00 -1.96 -3.38 103.07 110.03 3ndn h GLY 205 Ca -0.24 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.26 3ndn h GLY 205 CO 0.52 0.72 0.31 0.74 0.00 0.00 0.00 176.54 178.82 3ndn h PHE 206 N 0.08 0.81 0.00 5.60 0.04 -1.92 -1.76 116.94 119.78 3ndn h PHE 206 Ca -0.15 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.59 3ndn h PHE 206 Cb 1.99 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.88 3ndn h PHE 206 CO 0.07 0.60 0.08 -1.35 -0.60 0.00 0.00 178.31 177.10 3ndn h PRO 207 N 0.79 0.00 -0.64 1.51 0.11 -1.93 -1.97 132.00 129.87 3ndn h PRO 207 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3ndn h PRO 207 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 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 -2.76 3.70 0.00 2.35 4.77 -0.68 -4.95 117.00 119.43 3ndn n LEU 208 Ca -0.02 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 3ndn n LEU 208 Cb 0.13 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3ndn n LEU 208 CO 0.15 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3ndn n GLY 209 N 1.60 0.66 3.75 -0.72 0.00 -0.74 -4.66 105.19 105.08 3ndn n GLY 209 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3ndn n GLY 209 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ndn n VAL 210 N -2.04 1.47 0.06 1.61 0.31 -1.11 -4.94 118.33 113.69 3ndn n VAL 210 Ca 0.00 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 3ndn n VAL 210 Cb 0.00 -1.89 -0.14 0.00 -0.91 0.00 0.00 33.84 30.90 3ndn n VAL 210 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ndn h ASP 211 N 3.86 0.26 -3.52 4.52 3.32 -1.85 -3.42 116.42 119.58 3ndn h ASP 211 Ca -0.48 -0.33 -0.21 0.00 0.02 0.00 0.00 57.03 56.03 3ndn h ASP 211 Cb 1.24 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.41 3ndn h ASP 211 CO 0.72 1.27 -0.55 -0.69 -1.72 0.00 0.00 179.24 178.27 3ndn s VAL 212 N -2.65 -0.03 -0.06 -1.35 1.01 -0.53 -4.22 120.40 112.57 3ndn s VAL 212 Ca -0.05 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3ndn s VAL 212 Cb 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 3ndn s VAL 212 CO 0.85 0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 175.11 3ndn s VAL 213 N 0.86 1.68 0.08 2.92 1.01 -0.42 -0.96 120.40 125.58 3ndn s VAL 213 Ca -0.06 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3ndn s VAL 213 Cb -0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3ndn s VAL 213 CO -0.05 0.48 -0.18 0.68 0.00 0.00 0.00 175.10 176.03 3ndn s VAL 214 N 0.16 2.83 0.03 2.92 -7.23 -0.51 -1.26 120.40 117.34 3ndn s VAL 214 Ca -0.09 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 3ndn s VAL 214 Cb -0.14 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3ndn s VAL 214 CO 0.04 0.21 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.62 3ndn s TYR 215 N -1.04 0.97 -0.24 2.82 2.02 -0.66 -2.64 117.35 118.57 3ndn s TYR 215 Ca 0.16 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 3ndn s TYR 215 Cb -0.11 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3ndn s TYR 215 CO 0.08 0.00 0.45 0.45 -1.57 0.00 0.00 175.55 174.96 3ndn s SER 216 N -1.10 6.40 0.19 2.29 0.15 -1.26 -1.49 113.70 118.86 3ndn s SER 216 Ca -0.01 0.47 0.25 0.00 0.70 0.00 0.00 55.95 57.36 3ndn s SER 216 Cb -0.08 -2.25 0.90 0.00 -1.71 0.00 0.00 66.02 62.88 3ndn s SER 216 CO 0.01 -0.20 1.76 0.61 1.20 0.00 0.00 173.24 176.62 3ndn n GLY 217 N 4.32 -1.54 0.00 9.45 0.00 0.34 -4.67 105.19 113.10 3ndn n GLY 217 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.13 0.00 -0.62 2.61 -1.04 -1.20 -1.66 114.28 110.24 3ndn n THR 218 Ca 0.05 0.00 0.49 0.00 -2.04 0.00 0.00 64.05 62.54 3ndn n THR 218 Cb 0.35 -0.67 0.79 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.10 0.38 -1.42 3.86 -1.82 -3.42 115.15 112.83 3ndn h HIS 220 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ndn h HIS 220 Cb 0.00 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3ndn h HIS 220 CO 0.00 -0.05 -0.35 0.82 0.86 0.00 0.00 177.93 179.21 3ndn h ILE 221 N 0.01 0.28 0.53 2.45 2.04 -1.84 -2.79 117.51 118.19 3ndn h ILE 221 Ca 0.88 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.72 3ndn h ILE 221 Cb 3.40 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 3ndn h ILE 221 CO -0.09 0.00 -0.45 -0.78 0.00 0.00 0.00 178.15 176.83 3ndn h ASP 222 N -0.75 -1.21 0.00 1.72 1.82 -1.57 -3.37 116.42 113.07 3ndn h ASP 222 Ca -0.03 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3ndn h ASP 222 Cb 0.66 0.39 0.00 0.00 0.68 0.00 0.00 39.33 41.06 3ndn h ASP 222 CO -0.05 -0.62 0.00 0.61 -1.61 0.00 0.00 179.24 177.57 3ndn n GLY 223 N -1.52 1.73 0.04 -0.78 0.00 -1.06 -4.79 105.19 98.81 3ndn n GLY 223 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.40 -1.91 1.61 6.02 -1.26 -0.47 117.38 119.77 3ndn n GLN 224 Ca 0.00 -0.69 -0.10 0.00 -0.01 0.00 0.00 57.00 56.20 3ndn n GLN 224 Cb 0.00 -0.58 -0.02 0.00 1.02 0.00 0.00 30.24 30.67 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 -0.08 0.33 0.11 1.08 0.00 -1.26 -4.87 105.19 100.49 3ndn n GLY 225 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.18 0.56 -4.27 1.61 1.74 -1.26 -5.06 116.66 107.80 3ndn n ARG 226 Ca -0.11 0.50 -0.15 0.00 -0.77 0.00 0.00 57.85 57.32 3ndn n ARG 226 Cb 0.51 -1.68 -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 -2.40 0.38 0.10 1.55 -7.23 -1.26 -5.17 120.40 106.38 3ndn s VAL 227 Ca -0.30 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 57.89 3ndn s VAL 227 Cb 0.08 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 3ndn s VAL 227 CO 0.54 -0.04 0.19 -0.76 -0.31 0.00 0.00 175.10 174.72 3ndn s LEU 228 N -3.25 4.14 -0.15 1.32 1.02 -1.26 -4.39 118.68 116.11 3ndn s LEU 228 Ca 0.37 0.12 -0.34 0.00 0.02 0.00 0.00 54.13 54.30 3ndn s LEU 228 Cb 0.07 -2.75 0.14 0.00 0.02 0.00 0.00 46.19 43.67 3ndn s LEU 228 CO 0.12 0.13 1.34 -0.83 0.02 0.00 0.00 176.35 177.13 3ndn s GLY 229 N -2.76 -0.36 0.34 -3.19 0.00 -1.22 -4.75 107.32 95.39 3ndn s GLY 229 Ca 0.33 1.29 -0.08 0.00 0.00 0.00 0.00 44.72 46.25 3ndn s GLY 229 CO 0.26 0.36 0.58 -0.32 0.00 0.00 0.00 173.10 173.98 3ndn s GLY 230 N -2.56 0.99 -0.09 0.20 0.00 -0.57 -0.50 107.32 104.79 3ndn s GLY 230 Ca 0.13 -1.17 -0.20 0.00 0.00 0.00 0.00 44.72 43.47 3ndn s GLY 230 CO -0.04 -0.72 0.47 0.00 0.00 0.00 0.00 173.10 172.81 3ndn s ALA 231 N -2.98 -1.20 -0.17 3.20 0.00 -0.56 -1.30 121.76 118.74 3ndn s ALA 231 Ca 0.24 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 3ndn s ALA 231 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 3ndn s ALA 231 CO 0.16 -0.28 -0.11 0.42 0.00 0.00 0.00 175.76 175.95 3ndn s ILE 232 N -0.72 3.02 -0.08 0.00 1.01 -0.38 -1.66 121.20 122.40 3ndn s ILE 232 Ca -0.08 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3ndn s ILE 232 Cb -0.03 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 3ndn s ILE 232 CO 0.04 0.49 -0.22 -0.76 0.00 0.00 0.00 174.94 174.49 3ndn s LEU 233 N 0.94 2.00 0.00 2.97 1.02 -0.39 -1.63 118.68 123.58 3ndn s LEU 233 Ca -0.02 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.65 3ndn s LEU 233 Cb -0.15 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 44.80 3ndn s LEU 233 CO -0.01 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.14 3ndn n GLY 234 N 3.34 1.80 3.74 -3.19 0.00 -0.99 -1.30 105.19 108.60 3ndn n GLY 234 Ca -0.19 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 1.91 5.02 0.26 1.61 1.01 -1.26 -1.48 116.67 123.73 3ndn s ASP 235 Ca 0.00 2.57 -0.03 0.00 0.71 0.00 0.00 52.55 55.81 3ndn s ASP 235 Cb 0.00 -2.62 0.44 0.00 1.01 0.00 0.00 42.92 41.75 3ndn s ASP 235 CO 0.00 -1.72 1.82 0.08 0.21 0.00 0.00 175.17 175.56 3ndn h ARG 236 N 0.95 0.86 -0.07 8.23 0.11 -1.94 -1.66 114.38 120.86 3ndn h ARG 236 Ca -0.51 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 59.37 3ndn h ARG 236 Cb 1.31 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 3ndn h ARG 236 CO 0.55 0.57 -0.62 1.49 0.10 0.00 0.00 179.97 182.06 3ndn h GLU 237 N 0.89 0.27 -0.01 0.08 4.22 -1.97 -1.02 114.58 117.04 3ndn h GLU 237 Ca 0.43 -0.19 -0.00 0.00 0.08 0.00 0.00 59.36 59.68 3ndn h GLU 237 Cb 0.38 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3ndn h GLU 237 CO -0.24 0.80 -0.00 -0.92 -2.18 0.00 0.00 179.01 176.47 3ndn h TYR 238 N 0.20 0.03 -0.43 0.92 3.20 -1.89 -1.51 116.97 117.49 3ndn h TYR 238 Ca -0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3ndn h TYR 238 Cb 1.14 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3ndn h TYR 238 CO 0.02 0.36 0.14 0.82 -1.64 0.00 0.00 178.16 177.87 3ndn h ILE 239 N -0.32 1.21 0.00 1.81 1.08 -1.29 -2.76 117.51 117.24 3ndn h ILE 239 Ca 0.00 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 3ndn h ILE 239 Cb 0.35 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3ndn h ILE 239 CO 0.00 0.25 -0.10 0.47 -0.69 0.00 0.00 178.15 178.08 3ndn n ASP 240 N -4.59 0.25 0.00 1.72 8.00 -0.39 -1.72 116.55 119.83 3ndn n ASP 240 Ca 0.00 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3ndn n ASP 240 Cb 0.17 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 1.46 0.08 0.36 0.44 0.00 -0.57 -4.59 105.19 102.37 3ndn n GLY 241 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.83 0.43 1.61 0.13 -1.77 -1.88 132.00 131.34 3ndn h PRO 242 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3ndn h PRO 242 Cb 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 30.95 3ndn h PRO 242 CO 0.00 0.55 -0.20 0.28 -0.23 0.00 0.00 178.00 178.39 3ndn h VAL 243 N 0.85 0.52 -0.97 1.56 2.07 -1.67 -2.85 116.25 115.77 3ndn h VAL 243 Ca 0.38 -0.43 0.20 0.00 0.82 0.00 0.00 66.70 67.67 3ndn h VAL 243 Cb 0.36 0.71 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 3ndn h VAL 243 CO -0.15 0.07 0.56 -0.61 0.02 0.00 0.00 177.57 177.46 3ndn h GLN 244 N -0.84 0.65 -0.35 1.57 4.15 -1.19 -0.54 115.11 118.55 3ndn h GLN 244 Ca -0.06 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3ndn h GLN 244 Cb 0.55 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 3ndn h GLN 244 CO 0.10 0.43 0.20 -0.22 -1.93 0.00 0.00 178.83 177.41 3ndn h LYS 245 N 0.67 0.49 -0.34 1.69 3.64 -1.30 -0.46 116.57 120.97 3ndn h LYS 245 Ca 0.57 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.84 3ndn h LYS 245 Cb 0.94 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3ndn h LYS 245 CO -0.41 0.39 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.06 3ndn h LEU 246 N 0.45 0.62 -0.28 5.20 3.38 -1.15 -2.74 115.31 120.79 3ndn h LEU 246 Ca 0.13 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3ndn h LEU 246 Cb 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3ndn h LEU 246 CO -0.02 0.81 0.01 0.24 0.09 0.00 0.00 178.44 179.57 3ndn h MET 247 N 0.43 0.09 -0.51 1.13 2.86 -0.91 0.41 114.93 118.42 3ndn h MET 247 Ca 0.09 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3ndn h MET 247 Cb 0.51 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3ndn h MET 247 CO 0.02 0.06 0.21 -0.09 1.06 0.00 0.00 176.91 178.17 3ndn h ARG 248 N 0.09 0.77 0.00 1.72 2.43 -1.11 -2.48 114.38 115.80 3ndn h ARG 248 Ca 0.13 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 3ndn h ARG 248 Cb 0.17 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3ndn h ARG 248 CO -0.21 0.67 -1.84 0.72 -1.51 0.00 0.00 179.97 177.80 3ndn n HIS 249 N -4.54 0.33 0.31 2.20 8.25 -1.04 -4.26 115.22 116.47 3ndn n HIS 249 Ca 0.02 0.11 0.11 0.00 -0.26 0.00 0.00 57.72 57.69 3ndn n HIS 249 Cb 0.15 -0.80 -0.15 0.00 1.12 0.00 0.00 29.99 30.31 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 -2.56 0.01 -3.30 1.59 -2.24 0.12 -5.06 114.28 102.84 3ndn n THR 250 Ca -0.12 -0.34 -0.18 0.00 -2.27 0.00 0.00 64.05 61.14 3ndn n THR 250 Cb 0.76 0.31 0.06 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.33 -0.21 2.56 3.38 0.00 -0.93 -4.95 105.19 106.37 3ndn n GLY 251 Ca -0.01 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.93 3.40 -2.90 1.61 -0.04 -1.26 -4.97 135.00 126.91 3ndn n PRO 252 Ca -0.00 -2.61 -0.39 0.00 -0.04 0.00 0.00 63.50 60.46 3ndn n PRO 252 Cb 0.55 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 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 2.17 3.40 0.08 0.55 0.00 -1.26 -1.04 121.76 125.66 3ndn s ALA 253 Ca 0.56 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 3ndn s ALA 253 Cb 0.15 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 3ndn s ALA 253 CO -0.07 0.26 1.20 1.41 0.00 0.00 0.00 175.76 178.56 3ndn s MET 254 N -1.26 4.44 0.18 0.00 1.75 -1.26 -4.08 119.30 119.08 3ndn s MET 254 Ca 0.39 1.79 -0.30 0.00 -1.25 0.00 0.00 55.69 56.31 3ndn s MET 254 Cb -0.23 -3.33 -0.09 0.00 2.84 0.00 0.00 34.83 34.02 3ndn s MET 254 CO 0.28 -0.23 1.37 0.45 -0.65 0.00 0.00 175.02 176.24 3ndn s SER 255 N 0.90 6.81 0.40 1.11 0.15 -1.26 -4.95 113.70 116.86 3ndn s SER 255 Ca 0.58 2.44 0.16 0.00 0.70 0.00 0.00 55.95 59.83 3ndn s SER 255 Cb -0.30 -2.60 1.04 0.00 -1.71 0.00 0.00 66.02 62.45 3ndn s SER 255 CO 0.30 -0.61 1.85 0.00 1.20 0.00 0.00 173.24 175.98 3ndn h ALA 256 N 5.79 2.14 -0.35 5.45 0.00 -1.95 -0.99 119.26 129.35 3ndn h ALA 256 Ca -0.44 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3ndn h ALA 256 Cb 1.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ndn h ALA 256 CO 0.81 -0.44 0.16 0.35 0.00 0.00 0.00 179.25 180.13 3ndn h PHE 257 N 0.45 0.50 -0.58 0.00 3.57 -1.92 -2.54 116.94 116.43 3ndn h PHE 257 Ca 0.48 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 3ndn h PHE 257 Cb 1.13 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 3ndn h PHE 257 CO -0.00 0.44 0.26 -0.91 -2.23 0.00 0.00 178.31 175.86 3ndn h ASN 258 N 0.42 0.74 -0.20 0.41 4.21 -1.72 -2.67 115.58 116.78 3ndn h ASN 258 Ca 0.12 -0.08 -0.09 0.00 1.21 0.00 0.00 56.30 57.46 3ndn h ASN 258 Cb 0.13 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 3ndn h ASN 258 CO -0.01 0.65 -0.15 0.00 -1.29 0.00 0.00 177.43 176.62 3ndn h ALA 259 N 1.47 1.12 -0.17 -0.83 0.00 -1.07 -1.34 119.26 118.44 3ndn h ALA 259 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ndn h ALA 259 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ndn h ALA 259 CO -0.02 0.55 0.02 2.35 0.00 0.00 0.00 179.25 182.14 3ndn h TRP 260 N 0.54 0.31 -0.23 0.00 7.01 -1.18 -1.11 115.95 121.30 3ndn h TRP 260 Ca 0.09 -0.05 0.05 0.00 2.11 0.00 0.00 58.89 61.09 3ndn h TRP 260 Cb 0.57 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 3ndn h TRP 260 CO 0.02 0.48 -0.07 0.28 -2.79 0.00 0.00 178.44 176.36 3ndn h VAL 261 N 0.06 0.73 -0.33 2.65 2.07 -1.22 -2.63 116.25 117.59 3ndn h VAL 261 Ca 0.05 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 3ndn h VAL 261 Cb 0.34 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ndn h VAL 261 CO 0.01 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.28 3ndn h LEU 262 N -0.02 0.79 -1.47 2.57 3.38 -1.21 -2.15 115.31 117.20 3ndn h LEU 262 Ca 0.12 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3ndn h LEU 262 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ndn h LEU 262 CO -0.25 1.07 -0.13 0.17 0.09 0.00 0.00 178.44 179.38 3ndn h LEU 263 N 0.52 0.17 -0.33 1.67 8.10 -1.19 -1.80 115.31 122.44 3ndn h LEU 263 Ca 0.06 -0.03 -0.19 0.00 0.11 0.00 0.00 57.88 57.83 3ndn h LEU 263 Cb 0.81 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 3ndn h LEU 263 CO 0.07 0.32 -0.84 0.11 -4.11 0.00 0.00 178.44 173.99 3ndn h LYS 264 N 0.17 0.18 0.00 0.17 1.79 -1.42 -3.04 116.57 114.41 3ndn h LYS 264 Ca 0.03 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.26 3ndn h LYS 264 Cb 0.35 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3ndn h LYS 264 CO 0.02 0.92 -0.28 0.78 -1.08 0.00 0.00 179.45 179.80 3ndn h GLY 265 N 1.88 0.00 2.00 3.86 0.00 -0.77 -2.54 103.07 107.50 3ndn h GLY 265 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3ndn h GLY 265 CO 0.13 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 178.00 3ndn h LEU 266 N 0.00 0.00 -1.13 3.11 3.38 -1.22 -2.84 115.31 116.60 3ndn h LEU 266 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3ndn h LEU 266 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ndn h LEU 266 CO 0.04 0.08 -0.36 -0.33 0.09 0.00 0.00 178.44 177.95 3ndn h GLU 267 N 0.00 0.13 -0.02 1.13 5.08 -1.51 -3.14 114.58 116.25 3ndn h GLU 267 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ndn h GLU 267 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ndn h GLU 267 CO 0.01 0.48 -0.06 0.25 -1.00 0.00 0.00 179.01 178.69 3ndn n THR 268 N -4.08 0.00 -0.15 1.13 -2.24 -1.09 -4.58 114.28 103.26 3ndn n THR 268 Ca -0.02 -0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 61.24 3ndn n THR 268 Cb 0.42 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 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 3.43 -1.04 -0.29 3.22 5.85 -1.46 -1.70 115.31 123.32 3ndn h LEU 269 Ca 0.00 0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.99 3ndn h LEU 269 Cb 0.76 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 3ndn h LEU 269 CO 0.00 -0.30 -0.33 0.00 -0.34 0.00 0.00 178.44 177.46 3ndn h ALA 270 N 0.94 -0.29 0.00 1.25 0.00 -1.83 -0.39 119.26 118.93 3ndn h ALA 270 Ca 0.20 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3ndn h ALA 270 Cb 0.53 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3ndn h ALA 270 CO -0.59 -0.77 -0.63 -0.84 0.00 0.00 0.00 179.25 176.42 3ndn h ILE 271 N -0.32 1.41 -0.12 0.00 3.07 -1.84 -1.85 117.51 117.86 3ndn h ILE 271 Ca 0.14 -2.21 -0.04 0.00 1.55 0.00 0.00 64.86 64.30 3ndn h ILE 271 Cb 0.55 2.21 -0.00 0.00 -0.27 0.00 0.00 36.82 39.30 3ndn h ILE 271 CO -0.47 0.62 -0.08 0.03 -1.05 0.00 0.00 178.15 177.21 3ndn h ARG 272 N 0.00 0.26 -0.39 0.16 3.08 -0.99 -2.05 114.38 114.45 3ndn h ARG 272 Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ndn h ARG 272 Cb 1.16 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 3ndn h ARG 272 CO 0.08 0.62 0.18 0.28 -1.07 0.00 0.00 179.97 180.07 3ndn h VAL 273 N -0.11 1.17 -0.32 2.04 2.07 -1.07 -1.23 116.25 118.80 3ndn h VAL 273 Ca 0.02 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3ndn h VAL 273 Cb 0.56 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3ndn h VAL 273 CO 0.02 0.19 -0.03 -0.61 0.02 0.00 0.00 177.57 177.16 3ndn h GLN 274 N 0.49 0.05 -0.14 1.57 4.15 -1.34 0.29 115.11 120.18 3ndn h GLN 274 Ca 0.13 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3ndn h GLN 274 Cb 0.13 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3ndn h GLN 274 CO -0.02 0.04 0.05 1.25 -1.93 0.00 0.00 178.83 178.22 3ndn h HIS 275 N 0.06 0.22 -0.40 3.99 2.76 -1.24 -2.86 115.15 117.67 3ndn h HIS 275 Ca 0.15 -0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 3ndn h HIS 275 Cb 0.22 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3ndn h HIS 275 CO -0.25 0.30 -0.27 0.77 -1.30 0.00 0.00 177.93 177.18 3ndn h SER 276 N 0.07 0.88 -0.20 3.26 0.02 -1.01 -2.23 113.55 114.33 3ndn h SER 276 Ca 0.05 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 3ndn h SER 276 Cb 0.18 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3ndn h SER 276 CO -0.00 1.09 0.11 -1.13 -1.14 0.00 0.00 176.83 175.76 3ndn h ASN 277 N 0.72 0.17 -0.59 3.07 -1.24 -0.99 -0.86 115.58 115.86 3ndn h ASN 277 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 3ndn h ASN 277 Cb 0.82 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 3ndn h ASN 277 CO 0.07 0.13 0.01 0.00 -1.29 0.00 0.00 177.43 176.35 3ndn h ALA 278 N 1.09 0.80 -0.16 1.57 0.00 -1.44 -1.91 119.26 119.21 3ndn h ALA 278 Ca 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ndn h ALA 278 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ndn h ALA 278 CO -0.05 0.63 0.06 1.03 0.00 0.00 0.00 179.25 180.93 3ndn h SER 279 N 0.94 0.08 -0.94 0.00 0.87 -1.32 -2.64 113.55 110.55 3ndn h SER 279 Ca 0.17 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3ndn h SER 279 Cb 0.54 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 3ndn h SER 279 CO 0.03 0.07 0.56 0.00 -0.53 0.00 0.00 176.83 176.96 3ndn h ALA 280 N 1.09 1.20 -0.43 6.23 0.00 -0.93 -1.89 119.26 124.53 3ndn h ALA 280 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ndn h ALA 280 Cb 0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.38 3ndn h ALA 280 CO -0.06 0.66 0.05 0.37 0.00 0.00 0.00 179.25 180.26 3ndn h GLN 281 N 1.30 0.16 -0.73 0.00 5.75 -1.27 0.54 115.11 120.85 3ndn h GLN 281 Ca 0.34 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.79 3ndn h GLN 281 Cb -0.04 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 3ndn h GLN 281 CO -0.06 0.11 0.30 0.00 -2.65 0.00 0.00 178.83 176.53 3ndn h ARG 282 N 0.17 1.08 -0.26 1.69 3.08 -1.10 -2.46 114.38 116.59 3ndn h ARG 282 Ca 0.21 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 3ndn h ARG 282 Cb 0.28 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3ndn h ARG 282 CO -0.31 0.87 -0.44 0.82 -1.07 0.00 0.00 179.97 179.84 3ndn h ILE 283 N 1.06 1.30 -0.70 2.04 2.04 -0.98 -1.93 117.51 120.34 3ndn h ILE 283 Ca 0.25 -1.63 0.05 0.00 1.00 0.00 0.00 64.86 64.52 3ndn h ILE 283 Cb 0.18 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3ndn h ILE 283 CO -0.02 0.52 0.42 0.00 0.00 0.00 0.00 178.15 179.07 3ndn h ALA 284 N 0.65 0.94 -0.51 1.87 0.00 -0.81 -1.87 119.26 119.53 3ndn h ALA 284 Ca 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ndn h ALA 284 Cb 1.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3ndn h ALA 284 CO 0.10 0.13 -0.02 0.93 0.00 0.00 0.00 179.25 180.40 3ndn h GLU 285 N 0.78 0.88 -0.08 0.00 5.08 -1.34 -1.49 114.58 118.40 3ndn h GLU 285 Ca 0.30 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ndn h GLU 285 Cb 0.13 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3ndn h GLU 285 CO -0.16 0.89 0.05 0.35 -1.00 0.00 0.00 179.01 179.14 3ndn h PHE 286 N 0.81 0.11 -0.64 4.33 3.57 -1.03 -3.12 116.94 120.96 3ndn h PHE 286 Ca 0.15 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3ndn h PHE 286 Cb 0.51 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3ndn h PHE 286 CO 0.03 0.11 0.19 -0.07 -2.23 0.00 0.00 178.31 176.34 3ndn h LEU 287 N 0.08 0.92 -0.79 0.59 3.38 -1.19 -2.60 115.31 115.70 3ndn h LEU 287 Ca 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ndn h LEU 287 Cb 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ndn h LEU 287 CO -0.01 0.87 0.00 -3.20 0.09 0.00 0.00 178.44 176.19 3ndn n ASN 288 N -4.27 0.40 -0.46 -0.43 5.15 -0.58 -1.92 115.26 113.17 3ndn n ASN 288 Ca 0.05 0.65 0.04 0.00 -0.60 0.00 0.00 54.58 54.73 3ndn n ASN 288 Cb 0.22 -0.72 0.09 0.00 -0.53 0.00 0.00 39.78 38.85 3ndn n ASN 288 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ndn n GLY 289 N -0.88 1.66 3.75 8.20 0.00 -0.98 -5.04 105.19 111.90 3ndn n GLY 289 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.91 3.64 0.59 1.61 5.04 -0.81 -4.98 115.29 119.47 3ndn s HIS 290 Ca 0.16 1.15 0.42 0.00 -1.54 0.00 0.00 55.06 55.25 3ndn s HIS 290 Cb 0.09 -2.62 2.25 0.00 0.04 0.00 0.00 32.58 32.34 3ndn s HIS 290 CO 0.12 0.29 2.32 -1.35 -2.34 0.00 0.00 174.74 173.78 3ndn h PRO 291 N 5.98 0.00 -0.01 2.88 0.11 -1.95 -2.36 132.00 136.65 3ndn h PRO 291 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ndn h PRO 291 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ndn h PRO 291 CO 0.71 0.00 -0.13 0.43 -0.21 0.00 0.00 178.00 178.81 3ndn n SER 292 N -3.16 0.86 -4.40 -2.05 7.64 -1.26 -4.88 113.62 106.37 3ndn n SER 292 Ca -0.03 -0.92 -0.34 0.00 1.01 0.00 0.00 58.87 58.60 3ndn n SER 292 Cb 0.10 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.35 3.41 -0.12 0.44 1.01 -0.89 -1.30 120.40 120.61 3ndn s VAL 293 Ca 0.31 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 3ndn s VAL 293 Cb 0.20 -2.48 -0.27 0.00 0.00 0.00 0.00 36.38 33.83 3ndn s VAL 293 CO 0.45 0.49 0.74 -0.09 0.00 0.00 0.00 175.10 176.69 3ndn h ARG 294 N 7.03 0.09 -3.61 2.72 2.43 -1.19 -3.44 114.38 118.41 3ndn h ARG 294 Ca -0.31 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 3ndn h ARG 294 Cb 1.19 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 3ndn h ARG 294 CO 0.59 1.08 -0.15 1.67 -1.51 0.00 0.00 179.97 181.65 3ndn s TRP 295 N -2.30 0.16 -0.01 2.20 1.48 -1.23 -5.02 118.94 114.23 3ndn s TRP 295 Ca -0.19 -0.52 0.02 0.00 -1.06 0.00 0.00 56.10 54.35 3ndn s TRP 295 Cb -0.01 0.16 -0.00 0.00 -1.16 0.00 0.00 33.47 32.46 3ndn s TRP 295 CO 0.72 -0.83 -0.06 0.08 -4.06 0.00 0.00 176.95 172.81 3ndn s VAL 296 N -3.93 0.46 -0.20 -0.66 1.01 -1.26 -2.20 120.40 113.62 3ndn s VAL 296 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3ndn s VAL 296 Cb 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.01 3ndn s VAL 296 CO -0.01 0.13 -0.13 -0.13 0.00 0.00 0.00 175.10 174.97 3ndn s ARG 297 N -0.11 3.14 -0.28 2.72 1.81 0.33 -4.87 118.95 121.68 3ndn s ARG 297 Ca 0.02 -0.76 -0.15 0.00 -1.72 0.00 0.00 55.73 53.13 3ndn s ARG 297 Cb -0.03 -2.78 0.09 0.00 -0.45 0.00 0.00 34.95 31.79 3ndn s ARG 297 CO -0.00 -0.22 0.68 -0.47 -0.68 0.00 0.00 175.30 174.61 3ndn s TYR 298 N 1.37 -1.12 0.46 -0.53 5.04 -1.26 -2.60 117.35 118.70 3ndn s TYR 298 Ca 0.05 2.17 0.25 0.00 -2.44 0.00 0.00 57.07 57.09 3ndn s TYR 298 Cb -0.14 0.67 1.42 0.00 0.35 0.00 0.00 41.96 44.26 3ndn s TYR 298 CO -0.08 -0.56 2.09 -1.35 -1.34 0.00 0.00 175.55 174.31 3ndn h PRO 299 N 7.23 0.00 -0.62 4.97 0.11 -1.90 -2.24 132.00 139.54 3ndn h PRO 299 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ndn h PRO 299 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ndn h PRO 299 CO 0.15 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 178.71 3ndn n TYR 300 N -3.86 1.84 -3.42 0.65 0.53 -1.26 -4.73 117.16 106.91 3ndn n TYR 300 Ca -0.02 -0.65 -0.38 0.00 -1.02 0.00 0.00 57.90 55.83 3ndn n TYR 300 Cb 0.20 -0.44 -0.08 0.00 -1.03 0.00 0.00 39.34 37.99 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 -2.41 4.15 0.64 7.72 2.96 -0.85 -4.98 118.68 125.91 3ndn s LEU 301 Ca 0.50 0.46 0.30 0.00 -0.22 0.00 0.00 54.13 55.17 3ndn s LEU 301 Cb 0.37 -2.46 1.63 0.00 0.50 0.00 0.00 46.19 46.24 3ndn s LEU 301 CO 0.16 -0.06 1.96 -0.65 -1.32 0.00 0.00 176.35 176.44 3ndn h PRO 302 N 7.41 0.00 -0.11 0.98 0.11 -1.88 -0.84 132.00 137.66 3ndn h PRO 302 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ndn h PRO 302 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ndn h PRO 302 CO 0.71 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 3ndn n SER 303 N -3.22 1.28 -4.75 -2.05 3.41 -1.26 -4.79 113.62 102.24 3ndn n SER 303 Ca 0.01 -1.60 -0.41 0.00 -0.26 0.00 0.00 58.87 56.60 3ndn n SER 303 Cb 0.43 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.86 2.81 0.53 7.33 5.04 -0.32 -4.90 115.29 123.92 3ndn s HIS 304 Ca 0.33 0.84 0.42 0.00 -1.54 0.00 0.00 55.06 55.11 3ndn s HIS 304 Cb 0.17 -4.01 2.23 0.00 0.04 0.00 0.00 32.58 31.01 3ndn s HIS 304 CO 0.27 -3.37 2.28 -1.35 -2.34 0.00 0.00 174.74 170.23 3ndn h PRO 305 N 4.88 0.00 -0.26 2.88 0.11 -1.91 -2.38 132.00 135.32 3ndn h PRO 305 Ca -0.47 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 3ndn h PRO 305 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3ndn h PRO 305 CO 0.79 0.00 -0.57 1.04 -0.21 0.00 0.00 178.00 179.05 3ndn n GLN 306 N -3.00 2.26 -0.22 1.05 6.02 -1.26 -4.88 117.38 117.34 3ndn n GLN 306 Ca -0.03 -3.58 0.01 0.00 -0.01 0.00 0.00 57.00 53.40 3ndn n GLN 306 Cb 0.09 -1.85 0.13 0.00 1.02 0.00 0.00 30.24 29.63 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 1.38 0.49 -0.68 1.08 3.20 -1.71 -1.73 116.97 119.00 3ndn h TYR 307 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3ndn h TYR 307 Cb 1.20 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 3ndn h TYR 307 CO 0.81 0.13 0.39 -0.44 -1.64 0.00 0.00 178.16 177.41 3ndn h ASP 308 N 0.47 0.83 -0.46 -2.11 3.32 -1.89 -2.06 116.42 114.52 3ndn h ASP 308 Ca 0.34 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3ndn h ASP 308 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3ndn h ASP 308 CO -0.31 0.67 0.24 0.25 -1.72 0.00 0.00 179.24 178.37 3ndn h LEU 309 N 0.92 0.59 -0.84 1.55 5.85 -1.78 -2.61 115.31 119.00 3ndn h LEU 309 Ca 0.24 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3ndn h LEU 309 Cb 0.01 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3ndn h LEU 309 CO -0.04 0.52 0.51 0.00 -0.34 0.00 0.00 178.44 179.10 3ndn h ALA 310 N 1.09 1.15 -0.33 1.25 0.00 -1.05 -1.89 119.26 119.47 3ndn h ALA 310 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ndn h ALA 310 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ndn h ALA 310 CO -0.02 0.25 -0.02 0.87 0.00 0.00 0.00 179.25 180.33 3ndn h LYS 311 N 0.94 0.51 -0.16 0.00 1.79 -1.24 0.66 116.57 119.06 3ndn h LYS 311 Ca 0.37 -0.11 -0.20 0.00 -2.18 0.00 0.00 60.65 58.52 3ndn h LYS 311 Cb 0.17 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3ndn h LYS 311 CO -0.17 0.55 -0.71 0.00 -1.08 0.00 0.00 179.45 178.04 3ndn h ARG 312 N 0.49 0.71 -0.00 3.15 3.08 -1.03 -3.39 114.38 117.39 3ndn h ARG 312 Ca 0.10 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3ndn h ARG 312 Cb 0.35 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3ndn h ARG 312 CO 0.01 1.16 -0.27 0.00 -1.07 0.00 0.00 179.97 179.80 3ndn n GLN 313 N -3.93 3.30 -4.31 0.04 10.64 -0.77 -5.02 117.38 117.34 3ndn n GLN 313 Ca -0.06 -0.27 -0.24 0.00 -1.83 0.00 0.00 57.00 54.60 3ndn n GLN 313 Cb 0.71 -0.95 -0.12 0.00 -0.86 0.00 0.00 30.24 29.02 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 -1.46 1.19 0.00 2.61 -1.94 0.22 -4.50 119.30 115.41 3ndn s MET 314 Ca 0.05 -1.24 0.21 0.00 -1.71 0.00 0.00 55.69 53.01 3ndn s MET 314 Cb 0.06 -1.43 0.10 0.00 2.01 0.00 0.00 34.83 35.57 3ndn s MET 314 CO 0.26 0.32 1.11 -1.13 -0.01 0.00 0.00 175.02 175.58 3ndn n SER 315 N 0.89 2.43 -3.69 3.03 3.41 -0.40 -4.53 113.62 114.76 3ndn n SER 315 Ca -0.18 -1.72 -0.04 0.00 -0.26 0.00 0.00 58.87 56.67 3ndn n SER 315 Cb 0.54 0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 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 -2.02 -0.29 0.29 5.00 0.00 -1.26 -5.07 107.32 103.97 3ndn s GLY 316 Ca 0.22 0.35 0.18 0.00 0.00 0.00 0.00 44.72 45.47 3ndn s GLY 316 CO 0.38 0.08 1.36 -1.33 0.00 0.00 0.00 173.10 173.59 3ndn h GLY 317 N 2.00 0.00 0.00 0.20 0.00 -1.92 -3.46 103.07 99.88 3ndn h GLY 317 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ndn h GLY 317 CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.42 3ndn n GLY 318 N 1.21 -0.32 0.31 4.60 0.00 -1.26 -4.48 105.19 105.25 3ndn n GLY 318 Ca 0.01 -2.21 0.05 0.00 0.00 0.00 0.00 46.02 43.86 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 1.38 -5.07 2.61 -2.24 -1.26 -4.33 114.28 105.37 3ndn n THR 319 Ca 0.00 -1.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.09 3ndn n THR 319 Cb 0.00 0.23 -0.16 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.67 1.74 -0.12 2.28 1.01 -1.26 -0.57 120.40 121.80 3ndn s VAL 320 Ca 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3ndn s VAL 320 Cb 0.14 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3ndn s VAL 320 CO 0.06 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 3ndn s VAL 321 N -0.25 1.25 -0.08 2.92 1.01 -0.36 -4.86 120.40 120.03 3ndn s VAL 321 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3ndn s VAL 321 Cb -0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3ndn s VAL 321 CO 0.01 0.40 -0.01 -0.89 0.00 0.00 0.00 175.10 174.62 3ndn s THR 322 N 1.42 4.23 0.19 3.92 2.01 -1.07 -0.90 115.64 125.45 3ndn s THR 322 Ca 0.01 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 3ndn s THR 322 Cb -0.13 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 3ndn s THR 322 CO -0.07 0.60 0.37 0.72 -0.69 0.00 0.00 174.62 175.56 3ndn s PHE 323 N -0.87 0.30 -0.02 4.92 -0.12 -0.47 -0.52 117.98 121.21 3ndn s PHE 323 Ca 0.13 -0.66 0.04 0.00 -0.05 0.00 0.00 56.93 56.40 3ndn s PHE 323 Cb -0.11 0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 3ndn s PHE 323 CO 0.02 -0.81 -0.15 0.00 -0.05 0.00 0.00 175.22 174.23 3ndn s ALA 324 N -3.96 1.26 0.43 1.99 0.00 -0.93 -0.80 121.76 119.75 3ndn s ALA 324 Ca 0.17 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 3ndn s ALA 324 Cb 0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 3ndn s ALA 324 CO 0.01 0.28 1.09 -0.51 0.00 0.00 0.00 175.76 176.64 3ndn s LEU 325 N -0.23 4.06 -1.18 0.00 1.43 -0.75 -0.82 118.68 121.20 3ndn s LEU 325 Ca 0.03 2.13 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 3ndn s LEU 325 Cb -0.07 -4.24 0.16 0.00 0.03 0.00 0.00 46.19 42.06 3ndn s LEU 325 CO 0.00 -0.68 1.42 -0.62 0.23 0.00 0.00 176.35 176.71 3ndn s ASP 326 N -1.53 7.00 0.15 2.29 -1.08 -0.42 -4.45 116.67 118.64 3ndn s ASP 326 Ca 0.61 -2.84 -0.10 0.00 -0.52 0.00 0.00 52.55 49.70 3ndn s ASP 326 Cb -0.24 -2.42 -0.00 0.00 -1.46 0.00 0.00 42.92 38.81 3ndn s ASP 326 CO 0.29 -0.82 0.30 0.00 0.52 0.00 0.00 175.17 175.46 3ndn n PRO 328 N -0.20 1.93 0.24 0.00 -0.02 -1.26 -4.89 135.00 130.81 3ndn n PRO 328 Ca -0.10 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3ndn n PRO 328 Cb 0.63 -2.61 0.60 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.78 0.00 0.00 -0.52 4.57 -1.99 -2.61 114.58 115.81 3ndn h GLU 329 Ca -0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3ndn h GLU 329 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3ndn h GLU 329 CO 0.59 0.15 0.00 -0.40 -1.18 0.00 0.00 179.01 178.16 3ndn n ASP 330 N -4.11 0.43 -0.23 1.04 5.75 -1.26 -2.87 116.55 115.30 3ndn n ASP 330 Ca -0.02 0.56 0.03 0.00 -0.01 0.00 0.00 54.79 55.35 3ndn n ASP 330 Cb 0.23 -0.67 0.02 0.00 -1.03 0.00 0.00 41.12 39.67 3ndn n ASP 330 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3ndn n VAL 331 N -1.93 0.02 -0.29 2.12 0.24 -1.03 -4.84 118.33 112.63 3ndn n VAL 331 Ca 0.05 -0.51 -0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3ndn n VAL 331 Cb 0.32 1.11 0.13 0.00 -1.47 0.00 0.00 33.84 33.92 3ndn n VAL 331 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ndn h ALA 332 N 1.11 1.09 -0.41 2.33 0.00 -1.33 -1.60 119.26 120.46 3ndn h ALA 332 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ndn h ALA 332 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ndn h ALA 332 CO 0.00 0.22 0.21 -0.22 0.00 0.00 0.00 179.25 179.46 3ndn h LYS 333 N 0.90 0.58 -0.64 0.00 3.64 -1.80 -0.50 116.57 118.75 3ndn h LYS 333 Ca 0.35 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3ndn h LYS 333 Cb 0.16 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3ndn h LYS 333 CO -0.17 0.49 0.39 0.37 -2.27 0.00 0.00 179.45 178.27 3ndn h GLN 334 N 0.52 0.75 -0.22 1.90 4.15 -1.75 -1.31 115.11 119.15 3ndn h GLN 334 Ca 0.14 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 3ndn h GLN 334 Cb 0.10 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3ndn h GLN 334 CO -0.02 0.50 -0.10 0.00 -1.93 0.00 0.00 178.83 177.28 3ndn h ARG 335 N 0.77 0.45 -0.64 1.69 2.47 -1.10 -2.51 114.38 115.52 3ndn h ARG 335 Ca 0.26 -0.20 0.03 0.00 -1.26 0.00 0.00 59.98 58.82 3ndn h ARG 335 Cb 0.03 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 3ndn h ARG 335 CO -0.11 0.73 0.39 0.00 0.56 0.00 0.00 179.97 181.54 3ndn h ALA 336 N 0.71 0.84 -0.85 0.04 0.00 -0.99 -2.19 119.26 116.82 3ndn h ALA 336 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ndn h ALA 336 Cb 0.59 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ndn h ALA 336 CO 0.03 0.12 0.56 0.74 0.00 0.00 0.00 179.25 180.70 3ndn h PHE 337 N 0.75 1.05 -0.50 0.00 -1.00 -1.19 -2.08 116.94 113.97 3ndn h PHE 337 Ca 0.26 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 3ndn h PHE 337 Cb 0.06 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.24 3ndn h PHE 337 CO -0.06 0.65 0.28 0.93 -1.61 0.00 0.00 178.31 178.51 3ndn h GLU 338 N 1.13 0.70 -0.21 1.51 5.08 -0.96 -1.96 114.58 119.86 3ndn h GLU 338 Ca 0.32 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3ndn h GLU 338 Cb -0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3ndn h GLU 338 CO -0.08 0.54 0.12 0.28 -1.00 0.00 0.00 179.01 178.87 3ndn h VAL 339 N 0.67 1.10 -0.47 3.13 2.07 -1.03 -1.99 116.25 119.74 3ndn h VAL 339 Ca 0.18 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3ndn h VAL 339 Cb 0.04 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3ndn h VAL 339 CO -0.03 0.10 0.29 -0.07 0.02 0.00 0.00 177.57 177.88 3ndn h LEU 340 N 0.24 0.48 -0.29 2.57 4.07 -1.34 -2.71 115.31 118.34 3ndn h LEU 340 Ca 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3ndn h LEU 340 Cb 0.05 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.69 3ndn h LEU 340 CO -0.01 0.35 0.00 0.47 -1.08 0.00 0.00 178.44 178.16 3ndn n ASP 341 N -4.80 0.42 0.03 -0.43 8.00 -0.74 -2.72 116.55 116.30 3ndn n ASP 341 Ca 0.02 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.22 3ndn n ASP 341 Cb 0.05 -0.68 0.09 0.00 -0.02 0.00 0.00 41.12 40.57 3ndn n ASP 341 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ndn n LYS 342 N -1.94 0.24 -1.75 -1.24 4.81 -0.77 -4.94 118.16 112.58 3ndn n LYS 342 Ca 0.04 0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 3ndn n LYS 342 Cb 0.26 -1.61 -0.00 0.00 0.02 0.00 0.00 35.03 33.70 3ndn n LYS 342 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3ndn n MET 343 N -1.94 2.51 0.00 1.64 2.81 -1.10 -4.68 117.12 116.36 3ndn n MET 343 Ca 0.03 0.88 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 3ndn n MET 343 Cb 0.42 -2.57 0.00 0.00 -0.71 0.00 0.00 33.22 30.37 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 0.47 5.63 -0.00 0.03 5.12 -1.26 -4.88 116.66 121.77 3ndn n ARG 344 Ca 0.02 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.90 3ndn n ARG 344 Cb 0.38 -0.48 -0.01 0.00 -1.16 0.00 0.00 32.46 31.19 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 -0.91 0.82 -4.74 0.55 7.94 -1.26 -5.03 117.00 114.37 3ndn n LEU 345 Ca 0.00 0.12 -0.41 0.00 -1.11 0.00 0.00 56.01 54.61 3ndn n LEU 345 Cb 0.00 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.64 3ndn n LEU 345 CO 0.00 -0.26 1.05 -0.63 -1.11 0.00 0.00 177.39 176.44 3ndn s ILE 346 N -2.14 2.97 0.29 1.96 1.01 -1.26 -4.97 121.20 119.06 3ndn s ILE 346 Ca -0.07 0.79 -0.18 0.00 0.00 0.00 0.00 60.65 61.19 3ndn s ILE 346 Cb 0.02 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 3ndn s ILE 346 CO 0.09 0.12 0.77 -1.81 0.00 0.00 0.00 174.94 174.11 3ndn s ASP 347 N 0.42 6.94 -0.39 3.58 1.01 -1.12 -4.87 116.67 122.24 3ndn s ASP 347 Ca 0.59 1.42 -0.29 0.00 0.71 0.00 0.00 52.55 54.98 3ndn s ASP 347 Cb -0.39 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.14 3ndn s ASP 347 CO 0.39 -0.12 1.10 -0.63 0.21 0.00 0.00 175.17 176.12 3ndn s ILE 348 N -1.80 4.38 -0.09 0.77 1.01 -1.26 -1.05 121.20 123.16 3ndn s ILE 348 Ca 0.50 1.50 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 3ndn s ILE 348 Cb -0.13 -4.50 0.11 0.00 0.01 0.00 0.00 42.46 37.95 3ndn s ILE 348 CO 0.19 -0.71 0.90 -0.55 0.00 0.00 0.00 174.94 174.76 3ndn s SER 349 N 2.01 -0.42 0.00 3.58 0.15 -0.65 -4.93 113.70 113.44 3ndn s SER 349 Ca 0.46 0.33 0.27 0.00 0.70 0.00 0.00 55.95 57.71 3ndn s SER 349 Cb -0.10 0.38 0.81 0.00 -1.71 0.00 0.00 66.02 65.40 3ndn s SER 349 CO 0.23 -0.49 1.61 -0.46 1.20 0.00 0.00 173.24 175.32 3ndn n ASN 350 N 0.44 1.56 -4.67 5.45 2.04 -1.26 -4.07 115.26 114.75 3ndn n ASN 350 Ca -0.11 -1.38 -0.28 0.00 -0.44 0.00 0.00 54.58 52.36 3ndn n ASN 350 Cb 0.59 0.06 0.11 0.00 -2.53 0.00 0.00 39.78 38.02 3ndn n ASN 350 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 3ndn s ASN 351 N -2.17 4.17 0.06 0.53 3.84 -1.26 -5.05 114.94 115.06 3ndn s ASN 351 Ca 0.32 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.84 3ndn s ASN 351 Cb 0.20 -0.84 -0.04 0.00 -0.55 0.00 0.00 41.25 40.03 3ndn s ASN 351 CO 0.40 -2.06 -0.05 -0.76 -2.79 0.00 0.00 177.10 171.84 3ndn s LEU 352 N -5.54 2.42 -0.59 3.21 1.43 -1.26 -4.88 118.68 113.47 3ndn s LEU 352 Ca 0.65 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3ndn s LEU 352 Cb -0.08 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.19 3ndn s LEU 352 CO 0.49 -0.46 0.14 0.61 0.23 0.00 0.00 176.35 177.36 3ndn n GLY 353 N 0.49 0.18 3.71 -3.19 0.00 -1.26 -4.63 105.19 100.48 3ndn n GLY 353 Ca -0.16 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.81 5.03 0.53 1.61 -1.08 -1.26 -3.69 116.67 115.00 3ndn s ASP 354 Ca 0.07 -0.28 0.26 0.00 -0.52 0.00 0.00 52.55 52.08 3ndn s ASP 354 Cb -0.03 -1.17 1.46 0.00 -1.46 0.00 0.00 42.92 41.72 3ndn s ASP 354 CO 0.09 0.10 2.10 0.00 0.52 0.00 0.00 175.17 177.98 3ndn h ALA 355 N 2.75 1.42 -2.35 3.66 0.00 -1.11 -3.37 119.26 120.26 3ndn h ALA 355 Ca -0.47 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 53.79 3ndn h ALA 355 Cb 1.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3ndn h ALA 355 CO 0.60 0.13 0.46 0.15 0.00 0.00 0.00 179.25 180.58 3ndn s LYS 356 N -4.38 4.41 0.36 0.00 1.02 -1.26 -1.12 119.74 118.77 3ndn s LYS 356 Ca -0.04 1.26 -0.26 0.00 0.02 0.00 0.00 55.97 56.96 3ndn s LYS 356 Cb 0.14 -3.53 -0.09 0.00 -0.52 0.00 0.00 37.83 33.83 3ndn s LYS 356 CO 0.60 -0.25 1.10 -1.12 -0.92 0.00 0.00 175.35 174.76 3ndn s SER 357 N 1.07 6.87 0.04 2.83 0.01 -1.26 -4.58 113.70 118.68 3ndn s SER 357 Ca 0.46 2.21 0.01 0.00 1.31 0.00 0.00 55.95 59.93 3ndn s SER 357 Cb -0.18 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 3ndn s SER 357 CO 0.18 -0.42 -0.05 -0.76 0.41 0.00 0.00 173.24 172.60 3ndn s LEU 358 N -2.18 2.30 0.02 2.44 1.43 -0.73 -2.80 118.68 119.15 3ndn s LEU 358 Ca 0.53 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 3ndn s LEU 358 Cb -0.28 -0.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 3ndn s LEU 358 CO 0.35 -0.30 -0.16 0.54 0.23 0.00 0.00 176.35 177.01 3ndn s VAL 359 N -1.86 1.26 0.04 -1.59 0.11 -0.22 -0.46 120.40 117.69 3ndn s VAL 359 Ca -0.09 -0.90 -0.07 0.00 -2.93 0.00 0.00 61.98 57.99 3ndn s VAL 359 Cb -0.07 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 3ndn s VAL 359 CO -0.02 0.18 0.12 0.28 -3.33 0.00 0.00 175.10 172.34 3ndn s THR 360 N -0.65 0.13 -0.54 5.04 -1.32 -0.73 -1.64 115.64 115.93 3ndn s THR 360 Ca 0.04 -1.07 -0.05 0.00 -1.21 0.00 0.00 61.69 59.40 3ndn s THR 360 Cb -0.07 -0.95 0.14 0.00 -1.51 0.00 0.00 72.50 70.10 3ndn s THR 360 CO 0.01 -0.59 0.37 -2.28 -2.21 0.00 0.00 174.62 169.92 3ndn s HIS 361 N -2.74 3.49 0.33 9.09 2.46 -1.26 -2.16 115.29 124.50 3ndn s HIS 361 Ca -0.04 -2.40 0.06 0.00 0.47 0.00 0.00 55.06 53.16 3ndn s HIS 361 Cb -0.00 -3.32 0.73 0.00 -0.13 0.00 0.00 32.58 29.85 3ndn s HIS 361 CO -0.05 -0.92 1.86 -1.35 -2.47 0.00 0.00 174.74 171.80 3ndn h PRO 362 N 7.69 0.77 0.00 2.88 0.11 -1.95 -2.49 132.00 139.02 3ndn h PRO 362 Ca -0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3ndn h PRO 362 Cb 1.01 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ndn h PRO 362 CO 0.74 0.51 -0.07 0.00 -0.21 0.00 0.00 178.00 178.98 3ndn h ALA 363 N 1.58 1.36 -0.01 -0.75 0.00 -1.86 0.19 119.26 119.77 3ndn h ALA 363 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ndn h ALA 363 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ndn h ALA 363 CO -0.22 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.36 3ndn n THR 364 N -3.69 0.00 0.00 0.00 -2.24 -0.96 -4.33 114.28 103.06 3ndn n THR 364 Ca -0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3ndn n THR 364 Cb 0.17 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.40 0.00 -0.23 4.28 -2.24 -0.99 -4.75 114.28 110.75 3ndn n THR 365 Ca 0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 3ndn n THR 365 Cb 0.18 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.56 3ndn n THR 365 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3ndn n THR 366 N 0.00 -0.27 -2.13 4.28 5.66 -1.15 -1.19 114.28 119.49 3ndn n THR 366 Ca 0.00 1.45 -0.25 0.00 -3.05 0.00 0.00 64.05 62.20 3ndn n THR 366 Cb 0.00 -2.07 0.02 0.00 -1.55 0.00 0.00 70.33 66.73 3ndn n THR 366 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3ndn n HIS 367 N -4.93 2.89 -0.05 1.09 8.25 0.63 -4.81 115.22 118.28 3ndn n HIS 367 Ca 0.13 -2.43 -0.11 0.00 -0.26 0.00 0.00 57.72 55.05 3ndn n HIS 367 Cb 0.43 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 3ndn n HIS 367 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ndn h ARG 368 N 2.28 0.29 -2.22 -0.41 2.47 -1.28 -3.33 114.38 112.17 3ndn h ARG 368 Ca 0.35 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.79 3ndn h ARG 368 Cb 1.40 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.63 3ndn h ARG 368 CO 0.78 0.45 0.10 0.00 0.56 0.00 0.00 179.97 181.86 3ndn n ALA 369 N -2.29 5.82 0.00 0.04 0.00 -1.26 -3.57 120.51 119.26 3ndn n ALA 369 Ca -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.64 3ndn n ALA 369 Cb 0.18 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.23 3ndn n ALA 369 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ndn n MET 370 N 2.68 0.95 -0.14 0.00 2.00 -1.25 -5.14 117.12 116.21 3ndn n MET 370 Ca 0.41 0.00 0.01 0.00 0.00 0.00 0.00 57.70 58.12 3ndn n MET 370 Cb 0.75 -0.71 -0.01 0.00 0.00 0.00 0.00 33.22 33.25 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 1.91 -2.75 0.34 3.03 0.00 -1.23 -3.70 105.19 102.79 3ndn n GLY 371 Ca 0.00 -1.38 0.17 0.00 0.00 0.00 0.00 46.02 44.82 3ndn n GLY 371 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ndn h PRO 372 N -0.10 0.55 0.21 1.61 0.11 -1.97 -2.52 132.00 129.90 3ndn h PRO 372 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3ndn h PRO 372 Cb 0.12 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3ndn h PRO 372 CO 0.01 0.37 -0.12 0.93 -0.21 0.00 0.00 178.00 178.98 3ndn h GLU 373 N 0.57 -0.29 0.00 1.05 3.07 -2.01 -2.49 114.58 114.48 3ndn h GLU 373 Ca 0.64 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.43 3ndn h GLU 373 Cb 1.21 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3ndn h GLU 373 CO -0.48 -0.20 -0.42 0.78 -1.40 0.00 0.00 179.01 177.30 3ndn h GLY 374 N -0.30 0.00 1.35 -3.84 0.00 -1.54 -3.03 103.07 95.71 3ndn h GLY 374 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 3ndn h GLY 374 CO 0.03 0.00 -0.87 3.21 0.00 0.00 0.00 176.54 178.91 3ndn h ARG 375 N 0.00 0.62 -0.70 4.80 3.08 -1.46 -3.22 114.38 117.49 3ndn h ARG 375 Ca -0.00 -0.57 0.04 0.00 0.07 0.00 0.00 59.98 59.51 3ndn h ARG 375 Cb 0.82 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3ndn h ARG 375 CO 0.05 1.19 0.46 0.00 -1.07 0.00 0.00 179.97 180.61 3ndn h ALA 376 N 0.63 1.61 0.00 0.04 0.00 -1.36 -0.41 119.26 119.76 3ndn h ALA 376 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ndn h ALA 376 Cb 1.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ndn h ALA 376 CO 0.17 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.67 3ndn h ALA 377 N 1.59 1.51 -0.05 0.00 0.00 -1.54 -2.56 119.26 118.21 3ndn h ALA 377 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ndn h ALA 377 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ndn h ALA 377 CO -0.08 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3ndn n ILE 378 N -3.90 0.09 -1.93 0.00 -5.35 -1.05 -5.00 119.36 102.23 3ndn n ILE 378 Ca -0.03 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3ndn n ILE 378 Cb 0.15 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 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 0.70 0.39 3.35 3.28 0.00 -0.97 -5.00 105.19 106.93 3ndn n GLY 379 Ca 0.08 -0.89 -0.46 0.00 0.00 0.00 0.00 46.02 44.75 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 6.42 0.93 0.99 2.96 -0.20 -5.01 118.68 124.76 3ndn s LEU 380 Ca 0.00 -3.14 -0.15 0.00 -0.22 0.00 0.00 54.13 50.62 3ndn s LEU 380 Cb 0.00 -2.23 0.17 0.00 0.50 0.00 0.00 46.19 44.63 3ndn s LEU 380 CO 0.00 -0.45 1.29 -0.83 -1.32 0.00 0.00 176.35 175.03 3ndn s GLY 381 N 1.81 1.73 0.07 7.98 0.00 -1.26 -4.56 107.32 113.10 3ndn s GLY 381 Ca 0.26 -1.06 0.14 0.00 0.00 0.00 0.00 44.72 44.06 3ndn s GLY 381 CO -0.08 -0.36 1.43 1.22 0.00 0.00 0.00 173.10 175.31 3ndn n ASP 382 N -3.66 0.16 -1.01 1.64 8.00 -1.26 -2.91 116.55 117.51 3ndn n ASP 382 Ca 0.13 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.29 3ndn n ASP 382 Cb 0.60 -0.58 0.26 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.39 1.43 3.74 0.44 0.00 -1.26 -3.69 105.19 105.46 3ndn n GLY 383 Ca 0.02 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.49 4.97 -0.03 1.61 1.01 -1.15 -1.81 120.40 123.51 3ndn s VAL 384 Ca 0.38 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.71 3ndn s VAL 384 Cb 0.21 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 3ndn s VAL 384 CO 0.29 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.91 3ndn s VAL 385 N 0.25 1.16 -0.13 2.92 1.01 0.02 -4.34 120.40 121.30 3ndn s VAL 385 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3ndn s VAL 385 Cb -0.18 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3ndn s VAL 385 CO 0.17 0.34 -0.14 -0.60 0.00 0.00 0.00 175.10 174.88 3ndn s ARG 386 N -0.01 3.36 -0.13 2.72 3.52 -0.92 -1.37 118.95 126.13 3ndn s ARG 386 Ca -0.01 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 3ndn s ARG 386 Cb -0.09 -2.62 -0.01 0.00 -1.56 0.00 0.00 34.95 30.68 3ndn s ARG 386 CO 0.01 0.20 -0.17 0.42 -0.81 0.00 0.00 175.30 174.95 3ndn s ILE 387 N 0.37 2.66 -0.28 4.11 1.01 -0.07 -1.77 121.20 127.22 3ndn s ILE 387 Ca -0.11 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 3ndn s ILE 387 Cb -0.16 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3ndn s ILE 387 CO 0.06 0.53 0.18 -0.55 0.00 0.00 0.00 174.94 175.16 3ndn s SER 388 N 0.47 5.93 -0.20 3.58 0.15 0.39 -1.23 113.70 122.80 3ndn s SER 388 Ca -0.12 -0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 3ndn s SER 388 Cb -0.16 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 3ndn s SER 388 CO 0.05 -0.07 0.41 -0.69 1.20 0.00 0.00 173.24 174.14 3ndn s VAL 389 N 1.74 5.19 0.00 4.45 1.01 0.26 -1.77 120.40 131.28 3ndn s VAL 389 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3ndn s VAL 389 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3ndn s VAL 389 CO 0.10 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3ndn n GLY 390 N 3.87 2.01 0.40 4.51 0.00 -1.26 -4.85 105.19 109.87 3ndn n GLY 390 Ca -0.08 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.54 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 2.51 -4.73 0.99 4.77 -0.27 -4.55 117.00 115.71 3ndn n LEU 391 Ca 0.00 -1.91 -0.31 0.00 -0.03 0.00 0.00 56.01 53.76 3ndn n LEU 391 Cb 0.00 -0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3ndn n LEU 391 CO 0.00 0.62 0.70 -1.61 -1.33 0.00 0.00 177.39 175.77 3ndn s GLU 392 N -0.96 1.86 0.02 3.23 8.01 -1.26 -4.93 118.70 124.66 3ndn s GLU 392 Ca 0.14 1.34 -0.35 0.00 0.01 0.00 0.00 54.97 56.12 3ndn s GLU 392 Cb 0.08 -1.84 -0.13 0.00 -4.31 0.00 0.00 34.13 27.92 3ndn s GLU 392 CO 0.10 -1.97 1.70 -3.47 0.01 0.00 0.00 175.26 171.64 3ndn n ASP 393 N -3.66 3.10 -0.34 -0.19 2.03 -1.26 -4.89 116.55 111.34 3ndn n ASP 393 Ca 0.10 1.04 0.11 0.00 0.52 0.00 0.00 54.79 56.56 3ndn n ASP 393 Cb 0.52 -1.37 0.30 0.00 -0.72 0.00 0.00 41.12 39.86 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 4.50 0.81 0.00 5.18 2.02 -1.97 -1.16 112.91 122.29 3ndn h THR 394 Ca -0.47 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 3ndn h THR 394 Cb 1.27 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3ndn h THR 394 CO 0.91 0.15 -0.47 0.44 0.37 0.00 0.00 175.52 176.92 3ndn h ASP 395 N 0.84 0.00 -0.10 4.18 3.32 -1.99 -0.86 116.42 121.81 3ndn h ASP 395 Ca 0.53 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.46 3ndn h ASP 395 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3ndn h ASP 395 CO -0.30 0.47 -0.31 0.44 -1.72 0.00 0.00 179.24 177.82 3ndn h ASP 396 N 0.00 0.59 -0.11 6.45 3.32 -1.61 -2.04 116.42 123.02 3ndn h ASP 396 Ca -0.00 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 3ndn h ASP 396 Cb 1.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 3ndn h ASP 396 CO 0.06 0.87 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.22 3ndn h LEU 397 N 0.49 0.34 -0.97 1.55 3.38 -1.01 -2.90 115.31 116.19 3ndn h LEU 397 Ca 0.06 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.56 3ndn h LEU 397 Cb 0.79 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3ndn h LEU 397 CO 0.06 0.80 0.62 0.40 0.09 0.00 0.00 178.44 180.42 3ndn h ILE 398 N -0.12 1.10 -0.58 1.22 2.04 -1.20 -2.18 117.51 117.80 3ndn h ILE 398 Ca 0.01 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3ndn h ILE 398 Cb 0.73 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3ndn h ILE 398 CO 0.04 0.21 0.32 0.00 0.00 0.00 0.00 178.15 178.72 3ndn h ALA 399 N 1.43 0.74 -0.43 1.87 0.00 -1.36 -0.40 119.26 121.10 3ndn h ALA 399 Ca 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3ndn h ALA 399 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ndn h ALA 399 CO -0.16 0.25 0.16 0.22 0.00 0.00 0.00 179.25 179.72 3ndn h ASP 400 N 0.78 0.60 -0.44 0.00 3.58 -1.29 -2.34 116.42 117.31 3ndn h ASP 400 Ca 0.20 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 3ndn h ASP 400 Cb 0.03 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3ndn h ASP 400 CO -0.03 0.62 0.04 0.40 -2.88 0.00 0.00 179.24 177.38 3ndn h ILE 401 N 0.55 1.25 -0.45 2.25 2.04 -1.27 -1.99 117.51 119.89 3ndn h ILE 401 Ca 0.14 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3ndn h ILE 401 Cb 0.21 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ndn h ILE 401 CO -0.01 0.33 0.20 -0.78 0.00 0.00 0.00 178.15 177.89 3ndn h ASP 402 N 0.61 0.60 -0.68 1.72 3.58 -1.02 -1.62 116.42 119.62 3ndn h ASP 402 Ca 0.13 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 3ndn h ASP 402 Cb 0.43 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 3ndn h ASP 402 CO 0.02 0.58 0.30 -0.09 -2.88 0.00 0.00 179.24 177.17 3ndn h ARG 403 N 0.58 0.99 -0.29 0.28 2.43 -1.41 -2.28 114.38 114.68 3ndn h ARG 403 Ca 0.15 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3ndn h ARG 403 Cb 0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3ndn h ARG 403 CO -0.02 0.80 -0.11 0.00 -1.51 0.00 0.00 179.97 179.14 3ndn h ALA 404 N 1.14 1.29 0.00 2.80 0.00 -1.13 -2.77 119.26 120.59 3ndn h ALA 404 Ca 0.23 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ndn h ALA 404 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ndn h ALA 404 CO -0.02 0.47 -0.40 -0.07 0.00 0.00 0.00 179.25 179.23 3ndn h LEU 405 N 0.45 0.00 -1.16 0.00 3.38 -1.18 -3.40 115.31 113.39 3ndn h LEU 405 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ndn h LEU 405 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ndn h LEU 405 CO 0.03 0.40 0.00 -1.20 0.09 0.00 0.00 178.44 177.76