#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlo s SER 23 N 0.00 5.46 -0.10 -2.24 1.04 -1.26 -4.70 113.70 111.90 2nlo s SER 23 Ca 0.00 1.95 0.02 0.00 0.48 0.00 0.00 55.95 58.40 2nlo s SER 23 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 2nlo s SER 23 CO 0.00 -1.39 -0.17 -0.63 0.98 0.00 0.00 173.24 172.03 2nlo s ILE 24 N -2.31 2.75 -0.16 -1.02 1.01 0.20 -4.99 121.20 116.68 2nlo s ILE 24 Ca 0.66 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2nlo s ILE 24 Cb -0.19 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.20 2nlo s ILE 24 CO 0.38 0.55 -0.13 -0.22 0.00 0.00 0.00 174.94 175.52 2nlo s LEU 25 N 0.05 1.79 0.17 2.97 2.96 -1.26 -1.30 118.68 124.06 2nlo s LEU 25 Ca -0.07 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2nlo s LEU 25 Cb -0.15 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 2nlo s LEU 25 CO 0.05 -0.08 0.00 -0.76 -1.32 0.00 0.00 176.35 174.24 2nlo s LEU 26 N 1.48 2.11 0.33 -0.68 1.43 0.27 -0.33 118.68 123.29 2nlo s LEU 26 Ca 0.04 -1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 51.80 2nlo s LEU 26 Cb -0.13 -0.05 0.03 0.00 0.03 0.00 0.00 46.19 46.07 2nlo s LEU 26 CO -0.10 -0.57 0.72 -0.83 0.23 0.00 0.00 176.35 175.80 2nlo s GLY 27 N -3.17 0.27 -0.14 -3.19 0.00 -1.13 -1.16 107.32 98.80 2nlo s GLY 27 Ca 0.24 -0.63 -0.00 0.00 0.00 0.00 0.00 44.72 44.32 2nlo s GLY 27 CO 0.04 -0.29 -0.07 -2.27 0.00 0.00 0.00 173.10 170.51 2nlo s LEU 28 N -3.02 1.38 -0.23 0.66 2.96 -0.46 0.13 118.68 120.10 2nlo s LEU 28 Ca 0.15 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 2nlo s LEU 28 Cb -0.05 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 2nlo s LEU 28 CO 0.10 -0.14 0.26 -0.63 -1.32 0.00 0.00 176.35 174.62 2nlo s ILE 29 N 1.67 5.28 -0.92 6.68 1.01 -0.09 0.01 121.20 134.83 2nlo s ILE 29 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2nlo s ILE 29 Cb -0.14 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2nlo s ILE 29 CO -0.08 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2nlo n GLY 30 N 4.29 -0.95 3.16 6.18 0.00 -1.03 -1.13 105.19 115.70 2nlo n GLY 30 Ca -0.12 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 2nlo n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nlo s GLN 31 N -0.37 1.73 -0.47 1.61 -0.21 -0.71 -1.34 119.66 119.89 2nlo s GLN 31 Ca 0.00 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 2nlo s GLN 31 Cb 0.00 -1.55 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 2nlo s GLN 31 CO 0.00 0.30 0.41 0.41 -2.12 0.00 0.00 175.29 174.29 2nlo n GLY 32 N 2.96 0.04 1.14 3.09 0.00 -1.26 -4.92 105.19 106.25 2nlo n GLY 32 Ca -0.17 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2nlo n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nlo n LEU 33 N -2.27 3.49 -0.35 0.99 4.77 -1.26 -4.61 117.00 117.74 2nlo n LEU 33 Ca -0.06 -1.60 0.04 0.00 -0.03 0.00 0.00 56.01 54.37 2nlo n LEU 33 Cb 0.56 -0.28 0.20 0.00 -2.33 0.00 0.00 43.42 41.56 2nlo n LEU 33 CO 0.26 0.78 1.23 0.44 -1.33 0.00 0.00 177.39 178.77 2nlo h ASP 34 N 4.26 0.94 -0.37 -1.43 3.32 -2.02 -2.01 116.42 119.12 2nlo h ASP 34 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2nlo h ASP 34 Cb 0.96 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2nlo h ASP 34 CO 0.00 0.55 0.00 0.18 -1.72 0.00 0.00 179.24 178.25 2nlo n LEU 35 N -4.58 2.45 -4.75 1.55 4.77 -1.26 -4.93 117.00 110.24 2nlo n LEU 35 Ca 0.17 -1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 54.59 2nlo n LEU 35 Cb 0.26 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2nlo n LEU 35 CO 0.29 0.57 1.21 -0.55 -1.33 0.00 0.00 177.39 177.58 2nlo s SER 36 N -1.26 6.44 0.00 -1.43 0.15 -0.76 -4.87 113.70 111.97 2nlo s SER 36 Ca 0.33 2.88 0.25 0.00 0.70 0.00 0.00 55.95 60.12 2nlo s SER 36 Cb 0.18 -2.63 0.52 0.00 -1.71 0.00 0.00 66.02 62.38 2nlo s SER 36 CO 0.25 -0.86 1.43 0.54 1.20 0.00 0.00 173.24 175.79 2nlo n ARG 37 N 2.18 1.31 -0.07 5.44 1.74 -1.26 -4.45 116.66 121.55 2nlo n ARG 37 Ca 0.08 -0.93 -0.12 0.00 -0.77 0.00 0.00 57.85 56.11 2nlo n ARG 37 Cb 0.38 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 2nlo n ARG 37 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2nlo h THR 38 N 2.26 1.28 -0.49 0.55 2.02 -1.94 -2.50 112.91 114.09 2nlo h THR 38 Ca 0.00 -1.00 0.07 0.00 0.77 0.00 0.00 66.41 66.25 2nlo h THR 38 Cb 0.64 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.49 2nlo h THR 38 CO 0.00 0.31 0.15 -0.65 0.37 0.00 0.00 175.52 175.69 2nlo h PRO 39 N 0.14 0.30 -0.89 6.66 0.11 -1.87 -2.21 132.00 134.23 2nlo h PRO 39 Ca 0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 2nlo h PRO 39 Cb 0.48 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 2nlo h PRO 39 CO 0.02 0.20 0.48 0.00 -0.21 0.00 0.00 178.00 178.49 2nlo h ALA 40 N 1.35 1.14 -0.50 -0.75 0.00 -1.83 -0.81 119.26 117.85 2nlo h ALA 40 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2nlo h ALA 40 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2nlo h ALA 40 CO -0.27 0.65 0.32 0.52 0.00 0.00 0.00 179.25 180.48 2nlo h MET 41 N 1.25 0.67 -0.21 0.00 2.86 -0.97 -1.49 114.93 117.05 2nlo h MET 41 Ca 0.31 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.75 2nlo h MET 41 Cb 0.04 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.55 2nlo h MET 41 CO -0.05 0.47 -0.47 0.45 1.06 0.00 0.00 176.91 178.37 2nlo h HIS 42 N 0.68 0.87 -0.37 -0.22 3.86 -1.13 -2.48 115.15 116.36 2nlo h HIS 42 Ca 0.18 -0.33 0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2nlo h HIS 42 Cb -0.05 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2nlo h HIS 42 CO -0.03 1.11 0.23 0.93 0.86 0.00 0.00 177.93 181.03 2nlo h GLU 43 N 0.39 0.46 -0.58 2.45 5.08 -1.05 -0.65 114.58 120.67 2nlo h GLU 43 Ca 0.00 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2nlo h GLU 43 Cb 1.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2nlo h GLU 43 CO 0.10 0.31 -0.05 0.00 -1.00 0.00 0.00 179.01 178.36 2nlo h ALA 44 N 1.14 0.80 -0.13 3.43 0.00 -1.30 -2.39 119.26 120.82 2nlo h ALA 44 Ca 0.14 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 2nlo h ALA 44 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2nlo h ALA 44 CO -0.04 0.67 -0.80 1.49 0.00 0.00 0.00 179.25 180.58 2nlo h GLU 45 N 0.95 0.71 -0.29 0.00 4.57 -1.28 0.76 114.58 120.02 2nlo h GLU 45 Ca 0.16 -0.60 0.02 0.00 -1.18 0.00 0.00 59.36 57.76 2nlo h GLU 45 Cb 0.62 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2nlo h GLU 45 CO 0.04 1.21 0.12 0.78 -1.18 0.00 0.00 179.01 179.98 2nlo h GLY 46 N 0.69 0.37 1.04 1.92 0.00 -1.10 -1.87 103.07 104.12 2nlo h GLY 46 Ca -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2nlo h GLY 46 CO 0.16 0.06 0.27 -2.00 0.00 0.00 0.00 176.54 175.03 2nlo h LEU 47 N 0.26 1.02 -2.31 3.11 5.85 -1.07 -0.04 115.31 122.14 2nlo h LEU 47 Ca 0.12 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2nlo h LEU 47 Cb 0.06 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2nlo h LEU 47 CO -0.10 0.93 0.03 0.00 -0.34 0.00 0.00 178.44 178.95 2nlo h ALA 48 N 1.13 1.70 -0.66 1.25 0.00 -0.56 -0.82 119.26 121.31 2nlo h ALA 48 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2nlo h ALA 48 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2nlo h ALA 48 CO -0.02 -0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.23 2nlo n GLN 49 N -4.04 3.58 -0.74 0.00 6.02 -0.57 -4.93 117.38 116.70 2nlo n GLN 49 Ca -0.02 -2.81 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 2nlo n GLN 49 Cb 0.12 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.53 2nlo n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nlo n GLY 50 N 1.22 0.57 2.94 1.08 0.00 -0.31 -5.04 105.19 105.65 2nlo n GLY 50 Ca 0.25 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2nlo n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nlo s ARG 51 N -1.12 1.72 0.14 1.61 0.52 -0.13 -4.88 118.95 116.82 2nlo s ARG 51 Ca 0.00 -0.71 -0.33 0.00 -0.52 0.00 0.00 55.73 54.17 2nlo s ARG 51 Cb 0.00 -2.25 -0.12 0.00 0.52 0.00 0.00 34.95 33.10 2nlo s ARG 51 CO 0.00 -0.45 1.70 0.00 0.02 0.00 0.00 175.30 176.58 2nlo n ALA 52 N 4.77 1.92 -3.63 2.13 0.00 -1.26 -2.41 120.51 122.02 2nlo n ALA 52 Ca -0.13 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 2nlo n ALA 52 Cb 0.47 -2.46 -0.17 0.00 0.00 0.00 0.00 19.45 17.29 2nlo n ALA 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2nlo s THR 53 N 1.65 0.67 -0.11 0.00 2.01 -1.26 -0.63 115.64 117.97 2nlo s THR 53 Ca 0.80 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2nlo s THR 53 Cb -0.59 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 2nlo s THR 53 CO 0.37 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.75 2nlo s VAL 54 N 1.05 3.13 -0.24 3.82 1.01 -0.42 -4.68 120.40 124.08 2nlo s VAL 54 Ca -0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2nlo s VAL 54 Cb -0.14 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 34.01 2nlo s VAL 54 CO -0.01 0.54 0.02 -0.47 0.00 0.00 0.00 175.10 175.18 2nlo s TYR 55 N 0.06 1.73 -0.13 5.22 5.04 -1.26 -0.56 117.35 127.46 2nlo s TYR 55 Ca -0.05 -1.42 -0.11 0.00 -2.44 0.00 0.00 57.07 53.06 2nlo s TYR 55 Cb -0.14 -1.42 -0.05 0.00 0.35 0.00 0.00 41.96 40.70 2nlo s TYR 55 CO 0.04 -0.73 0.22 1.03 -1.34 0.00 0.00 175.55 174.77 2nlo s ARG 56 N 1.62 3.87 0.32 4.97 1.81 -0.31 -4.80 118.95 126.42 2nlo s ARG 56 Ca -0.00 -0.00 -0.29 0.00 -1.72 0.00 0.00 55.73 53.71 2nlo s ARG 56 Cb -0.18 -3.30 -0.10 0.00 -0.45 0.00 0.00 34.95 30.92 2nlo s ARG 56 CO -0.11 0.54 1.37 1.03 -0.68 0.00 0.00 175.30 177.45 2nlo s ARG 57 N -0.40 4.29 -0.61 3.54 0.52 -1.26 -1.35 118.95 123.67 2nlo s ARG 57 Ca 0.15 2.31 0.05 0.00 -0.52 0.00 0.00 55.73 57.72 2nlo s ARG 57 Cb -0.13 -3.06 0.18 0.00 0.52 0.00 0.00 34.95 32.46 2nlo s ARG 57 CO 0.04 -0.31 0.48 -0.89 0.02 0.00 0.00 175.30 174.64 2nlo n ILE 58 N 1.10 0.88 -3.47 1.52 5.41 0.10 -4.84 119.36 120.06 2nlo n ILE 58 Ca 0.02 -4.50 -0.40 0.00 1.00 0.00 0.00 62.75 58.87 2nlo n ILE 58 Cb 0.41 -2.03 -0.10 0.00 -0.71 0.00 0.00 39.64 37.21 2nlo n ILE 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2nlo s ASP 59 N -1.17 6.12 0.00 4.38 -1.08 -1.26 -2.47 116.67 121.20 2nlo s ASP 59 Ca 0.29 -0.16 0.16 0.00 -0.52 0.00 0.00 52.55 52.32 2nlo s ASP 59 Cb 0.01 -2.17 0.88 0.00 -1.46 0.00 0.00 42.92 40.18 2nlo s ASP 59 CO -0.16 -0.23 1.57 0.35 0.52 0.00 0.00 175.17 177.23 2nlo n THR 60 N 5.15 0.03 0.43 1.71 -2.24 -0.45 -0.84 114.28 118.07 2nlo n THR 60 Ca -0.11 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2nlo n THR 60 Cb 0.50 -0.16 0.12 0.00 -2.10 0.00 0.00 70.33 68.69 2nlo n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nlo n LEU 61 N -0.59 2.70 0.00 3.22 4.77 -1.26 -3.62 117.00 122.22 2nlo n LEU 61 Ca 0.12 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2nlo n LEU 61 Cb 0.09 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2nlo n LEU 61 CO 0.09 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2nlo n GLY 62 N 0.98 1.78 0.01 -0.72 0.00 -0.02 -4.93 105.19 102.30 2nlo n GLY 62 Ca 0.12 -2.09 0.14 0.00 0.00 0.00 0.00 46.02 44.19 2nlo n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nlo n SER 63 N -2.28 0.18 -0.04 1.61 7.64 -1.26 -3.63 113.62 115.83 2nlo n SER 63 Ca 0.00 0.15 -0.08 0.00 1.01 0.00 0.00 58.87 59.95 2nlo n SER 63 Cb 0.00 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 2nlo n SER 63 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2nlo n ARG 64 N -1.43 0.20 -0.15 1.43 5.12 -1.26 -4.84 116.66 115.73 2nlo n ARG 64 Ca 0.08 0.07 0.08 0.00 -1.93 0.00 0.00 57.85 56.15 2nlo n ARG 64 Cb 0.33 -0.95 0.16 0.00 -1.16 0.00 0.00 32.46 30.84 2nlo n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2nlo n ALA 65 N -3.17 2.34 -1.77 7.54 0.00 -1.25 -5.01 120.51 119.19 2nlo n ALA 65 Ca -0.17 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 2nlo n ALA 65 Cb 0.64 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 2nlo n ALA 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nlo s SER 66 N -1.14 6.40 0.00 0.00 1.04 -1.24 -2.48 113.70 116.28 2nlo s SER 66 Ca 0.28 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.60 2nlo s SER 66 Cb 0.16 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2nlo s SER 66 CO 0.22 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2nlo n GLY 67 N 2.71 1.00 3.84 7.32 0.00 -1.24 -5.03 105.19 113.79 2nlo n GLY 67 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2nlo n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nlo s GLN 68 N -0.24 4.05 0.59 1.61 -1.52 -1.03 -5.06 119.66 118.05 2nlo s GLN 68 Ca 0.00 0.62 -0.17 0.00 -1.95 0.00 0.00 55.36 53.87 2nlo s GLN 68 Cb 0.00 -2.77 -0.04 0.00 -0.22 0.00 0.00 33.01 29.98 2nlo s GLN 68 CO 0.00 0.36 1.08 -0.51 -0.25 0.00 0.00 175.29 175.97 2nlo s ASP 69 N -1.90 5.66 0.22 5.90 1.01 -1.26 -4.93 116.67 121.37 2nlo s ASP 69 Ca 0.44 1.94 -0.08 0.00 0.71 0.00 0.00 52.55 55.57 2nlo s ASP 69 Cb -0.14 -2.55 0.28 0.00 1.01 0.00 0.00 42.92 41.52 2nlo s ASP 69 CO 0.20 -1.25 1.81 0.25 0.21 0.00 0.00 175.17 176.38 2nlo h LEU 70 N 0.61 0.56 -0.76 1.23 5.85 -1.99 -2.33 115.31 118.48 2nlo h LEU 70 Ca -0.48 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2nlo h LEU 70 Cb 1.23 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 2nlo h LEU 70 CO 0.57 0.35 0.42 0.50 -0.34 0.00 0.00 178.44 179.94 2nlo h LYS 71 N 0.70 1.05 -0.63 1.25 3.64 -1.98 -0.11 116.57 120.48 2nlo h LYS 71 Ca 0.32 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 2nlo h LYS 71 Cb 0.23 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2nlo h LYS 71 CO -0.20 0.78 0.30 1.15 -2.27 0.00 0.00 179.45 179.21 2nlo h THR 72 N 1.04 0.86 -0.25 1.00 2.02 -1.81 0.17 112.91 115.95 2nlo h THR 72 Ca 0.27 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 67.09 2nlo h THR 72 Cb 0.03 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2nlo h THR 72 CO -0.04 0.10 -0.53 -0.07 0.37 0.00 0.00 175.52 175.35 2nlo h LEU 73 N 0.54 0.89 0.05 2.58 3.38 -1.03 -0.72 115.31 120.99 2nlo h LEU 73 Ca 0.30 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2nlo h LEU 73 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2nlo h LEU 73 CO -0.24 1.27 -0.02 0.25 0.09 0.00 0.00 178.44 179.79 2nlo h LEU 74 N 0.54 -0.06 -0.76 1.67 5.85 -0.86 -2.16 115.31 119.54 2nlo h LEU 74 Ca 0.00 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2nlo h LEU 74 Cb 1.14 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2nlo h LEU 74 CO 0.12 0.04 0.46 0.44 -0.34 0.00 0.00 178.44 179.16 2nlo h ASP 75 N -0.15 0.72 -0.61 1.25 3.32 -0.95 -1.97 116.42 118.04 2nlo h ASP 75 Ca -0.01 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.14 2nlo h ASP 75 Cb 0.13 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2nlo h ASP 75 CO 0.01 0.48 0.27 0.00 -1.72 0.00 0.00 179.24 178.27 2nlo h ALA 76 N 1.35 0.79 -0.93 3.45 0.00 -0.94 -0.53 119.26 122.46 2nlo h ALA 76 Ca 0.32 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.33 2nlo h ALA 76 Cb 0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2nlo h ALA 76 CO -0.15 -0.13 0.60 0.00 0.00 0.00 0.00 179.25 179.57 2nlo h ALA 77 N 1.38 1.23 0.12 0.00 0.00 -0.72 -0.76 119.26 120.51 2nlo h ALA 77 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2nlo h ALA 77 Cb 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2nlo h ALA 77 CO -0.26 0.47 -0.06 -0.07 0.00 0.00 0.00 179.25 179.34 2nlo h LEU 78 N 1.17 -0.13 -1.05 0.00 3.38 -0.61 -1.11 115.31 116.95 2nlo h LEU 78 Ca 0.37 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2nlo h LEU 78 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2nlo h LEU 78 CO -0.12 0.02 -0.06 1.88 0.09 0.00 0.00 178.44 180.25 2nlo h TYR 79 N -0.28 0.65 -0.58 1.13 0.05 -0.75 -3.06 116.97 114.13 2nlo h TYR 79 Ca -0.02 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.67 2nlo h TYR 79 Cb 0.23 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2nlo h TYR 79 CO -0.03 0.66 0.00 1.28 -1.05 0.00 0.00 178.16 179.02 2nlo n LEU 80 N -4.22 3.41 0.00 3.88 7.99 -0.32 -4.93 117.00 122.80 2nlo n LEU 80 Ca 0.01 -1.71 0.00 0.00 -0.01 0.00 0.00 56.01 54.31 2nlo n LEU 80 Cb 0.30 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2nlo n LEU 80 CO 0.41 0.77 0.00 0.61 -1.51 0.00 0.00 177.39 177.66 2nlo n GLY 81 N 1.32 0.78 3.76 -0.72 0.00 -1.11 -5.04 105.19 104.18 2nlo n GLY 81 Ca 0.20 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2nlo n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nlo s PHE 82 N -2.00 2.72 -0.70 1.61 0.40 -0.44 -4.72 117.98 114.86 2nlo s PHE 82 Ca 0.00 1.46 0.23 0.00 -0.60 0.00 0.00 56.93 58.02 2nlo s PHE 82 Cb 0.00 -3.57 0.08 0.00 0.51 0.00 0.00 43.02 40.04 2nlo s PHE 82 CO 0.00 -2.00 1.06 0.09 0.70 0.00 0.00 175.22 175.07 2nlo n ASN 83 N -0.41 0.64 -3.62 1.36 4.13 0.55 -4.77 115.26 113.14 2nlo n ASN 83 Ca 0.07 -0.30 -0.01 0.00 1.68 0.00 0.00 54.58 56.01 2nlo n ASN 83 Cb 0.46 0.75 -0.02 0.00 -1.54 0.00 0.00 39.78 39.44 2nlo n ASN 83 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2nlo s GLY 84 N -3.50 -0.29 0.03 7.41 0.00 -1.22 -1.87 107.32 107.88 2nlo s GLY 84 Ca 0.05 1.56 0.02 0.00 0.00 0.00 0.00 44.72 46.35 2nlo s GLY 84 CO 0.80 0.49 -0.07 1.08 0.00 0.00 0.00 173.10 175.40 2nlo s LEU 85 N -2.31 2.23 0.22 0.66 1.43 0.20 -2.82 118.68 118.29 2nlo s LEU 85 Ca 0.12 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2nlo s LEU 85 Cb 0.01 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 2nlo s LEU 85 CO -0.04 -0.19 0.38 0.20 0.23 0.00 0.00 176.35 176.93 2nlo s ASN 86 N -1.40 6.35 -0.04 2.29 0.01 0.12 0.07 114.94 122.33 2nlo s ASN 86 Ca -0.10 0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.35 2nlo s ASN 86 Cb -0.09 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.62 2nlo s ASN 86 CO 0.00 -0.06 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.76 2nlo s ILE 87 N -1.92 1.21 0.08 0.60 -1.09 -0.36 -0.92 121.20 118.81 2nlo s ILE 87 Ca 0.36 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 2nlo s ILE 87 Cb -0.10 -1.06 -0.00 0.00 -1.58 0.00 0.00 42.46 39.71 2nlo s ILE 87 CO 0.30 0.36 0.04 1.07 -1.23 0.00 0.00 174.94 175.48 2nlo n THR 88 N 3.32 0.00 -1.67 2.92 5.66 -0.29 -4.39 114.28 119.84 2nlo n THR 88 Ca -0.19 -0.51 -0.43 0.00 -3.05 0.00 0.00 64.05 59.87 2nlo n THR 88 Cb 0.53 0.21 -0.01 0.00 -1.55 0.00 0.00 70.33 69.51 2nlo n THR 88 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2nlo n HIS 89 N -0.17 2.04 -0.95 1.09 -0.00 -1.26 -0.71 115.22 115.26 2nlo n HIS 89 Ca -0.00 0.57 -0.22 0.00 -0.00 0.00 0.00 57.72 58.06 2nlo n HIS 89 Cb 0.13 -2.39 0.13 0.00 -0.00 0.00 0.00 29.99 27.86 2nlo n HIS 89 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2nlo n PRO 90 N 0.84 2.14 -0.02 1.57 -0.04 -1.26 -1.75 135.00 136.48 2nlo n PRO 90 Ca 0.07 -2.58 0.04 0.00 -0.04 0.00 0.00 63.50 61.00 2nlo n PRO 90 Cb 0.34 -2.01 0.05 0.00 -0.04 0.00 0.00 33.50 31.84 2nlo n PRO 90 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2nlo n TYR 91 N -0.79 0.05 0.20 0.54 4.01 0.12 -4.66 117.16 116.63 2nlo n TYR 91 Ca 0.51 -0.07 0.04 0.00 -0.16 0.00 0.00 57.90 58.21 2nlo n TYR 91 Cb 1.26 -0.00 0.41 0.00 -0.31 0.00 0.00 39.34 40.70 2nlo n TYR 91 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2nlo h LYS 92 N 1.61 0.00 0.09 -0.72 1.57 -1.78 -1.24 116.57 116.11 2nlo h LYS 92 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2nlo h LYS 92 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2nlo h LYS 92 CO 0.00 0.32 -1.67 1.96 -0.57 0.00 0.00 179.45 179.48 2nlo h GLN 93 N 0.00 0.20 -0.51 3.15 4.20 -1.84 -0.23 115.11 120.08 2nlo h GLN 93 Ca -0.00 -0.34 0.11 0.00 0.06 0.00 0.00 58.65 58.47 2nlo h GLN 93 Cb 0.58 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 2nlo h GLN 93 CO 0.04 1.16 0.35 0.00 -0.67 0.00 0.00 178.83 179.72 2nlo h ALA 94 N -0.10 2.21 0.00 3.87 0.00 -1.80 -2.75 119.26 120.69 2nlo h ALA 94 Ca -0.38 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2nlo h ALA 94 Cb 1.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2nlo h ALA 94 CO 0.01 -0.34 -0.29 -0.24 0.00 0.00 0.00 179.25 178.39 2nlo h VAL 95 N 0.20 0.65 -0.21 0.00 3.04 -1.40 -3.36 116.25 115.16 2nlo h VAL 95 Ca 0.24 -1.34 0.06 0.00 -1.01 0.00 0.00 66.70 64.64 2nlo h VAL 95 Cb 0.68 1.89 -0.07 0.00 -2.01 0.00 0.00 31.29 31.78 2nlo h VAL 95 CO -0.04 0.28 -0.33 -0.07 -1.01 0.00 0.00 177.57 176.40 2nlo h LEU 96 N 0.00 -1.05 -1.75 3.16 4.07 -1.70 -1.70 115.31 116.34 2nlo h LEU 96 Ca -0.00 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2nlo h LEU 96 Cb 0.87 0.46 0.00 0.00 1.08 0.00 0.00 40.66 43.07 2nlo h LEU 96 CO 0.04 -0.35 0.00 1.55 -1.08 0.00 0.00 178.44 178.59 2nlo h PRO 97 N -0.36 0.00 0.00 1.13 0.13 -1.81 -2.32 132.00 128.76 2nlo h PRO 97 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2nlo h PRO 97 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2nlo h PRO 97 CO -0.41 0.00 -0.27 1.28 -0.23 0.00 0.00 178.00 178.37 2nlo n LEU 98 N -2.52 0.69 -4.88 1.56 4.77 -0.64 -4.91 117.00 111.06 2nlo n LEU 98 Ca -0.01 0.40 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 2nlo n LEU 98 Cb 0.09 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2nlo n LEU 98 CO 0.15 -0.10 0.25 -0.76 -1.33 0.00 0.00 177.39 175.60 2nlo s LEU 99 N -4.20 4.09 0.06 2.23 1.43 -0.88 -5.01 118.68 116.41 2nlo s LEU 99 Ca 0.09 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 2nlo s LEU 99 Cb 0.14 -3.69 -0.21 0.00 0.03 0.00 0.00 46.19 42.45 2nlo s LEU 99 CO 0.65 -0.15 1.20 0.44 0.23 0.00 0.00 176.35 178.71 2nlo h ASP 100 N 2.12 0.80 -4.65 2.29 3.32 -1.80 -3.46 116.42 115.04 2nlo h ASP 100 Ca -0.47 -0.71 -0.27 0.00 0.02 0.00 0.00 57.03 55.60 2nlo h ASP 100 Cb 1.18 -0.24 -0.22 0.00 0.22 0.00 0.00 39.33 40.26 2nlo h ASP 100 CO 0.67 1.40 -0.73 -1.61 -1.72 0.00 0.00 179.24 177.25 2nlo s GLU 101 N -3.43 0.48 -0.03 3.56 0.41 -0.20 -5.00 118.70 114.49 2nlo s GLU 101 Ca -0.11 -0.65 0.01 0.00 -0.41 0.00 0.00 54.97 53.81 2nlo s GLU 101 Cb 0.06 -0.26 0.02 0.00 -1.78 0.00 0.00 34.13 32.17 2nlo s GLU 101 CO 0.88 0.05 -0.02 0.08 -0.49 0.00 0.00 175.26 175.76 2nlo s VAL 102 N -1.19 0.30 0.76 2.63 1.01 -1.26 -0.30 120.40 122.35 2nlo s VAL 102 Ca -0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 2nlo s VAL 102 Cb -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 35.99 2nlo s VAL 102 CO 0.00 0.15 1.02 -1.54 0.00 0.00 0.00 175.10 174.74 2nlo n SER 103 N 3.80 0.57 -0.13 3.32 3.41 0.14 -4.72 113.62 120.01 2nlo n SER 103 Ca -0.23 0.63 -0.04 0.00 -0.26 0.00 0.00 58.87 58.96 2nlo n SER 103 Cb 0.53 -1.43 0.16 0.00 -0.26 0.00 0.00 64.21 63.20 2nlo n SER 103 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2nlo h GLU 104 N -0.51 0.84 -0.36 4.33 4.57 -1.99 0.43 114.58 121.89 2nlo h GLU 104 Ca -0.47 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 57.48 2nlo h GLU 104 Cb 1.32 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2nlo h GLU 104 CO 0.46 0.81 0.12 0.37 -1.18 0.00 0.00 179.01 179.59 2nlo h GLN 105 N 0.79 0.55 -0.40 1.92 4.15 -1.97 -0.06 115.11 120.08 2nlo h GLN 105 Ca 0.16 -0.11 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 2nlo h GLN 105 Cb 0.41 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2nlo h GLN 105 CO 0.01 0.56 -0.19 0.00 -1.93 0.00 0.00 178.83 177.28 2nlo h ALA 106 N 0.96 0.93 -0.38 3.38 0.00 -1.76 -1.88 119.26 120.52 2nlo h ALA 106 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2nlo h ALA 106 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2nlo h ALA 106 CO -0.01 0.62 0.21 1.15 0.00 0.00 0.00 179.25 181.23 2nlo h THR 107 N 0.67 1.03 -0.21 0.00 2.02 -0.54 0.10 112.91 115.97 2nlo h THR 107 Ca 0.10 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 66.96 2nlo h THR 107 Cb 0.68 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2nlo h THR 107 CO 0.05 0.08 -0.57 1.56 0.37 0.00 0.00 175.52 177.01 2nlo h GLN 108 N 0.44 0.67 0.00 6.66 1.08 -0.86 -2.70 115.11 120.39 2nlo h GLN 108 Ca 0.15 -0.43 -0.11 0.00 -1.45 0.00 0.00 58.65 56.81 2nlo h GLN 108 Cb 0.02 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2nlo h GLN 108 CO -0.08 1.05 -0.51 1.25 -0.95 0.00 0.00 178.83 179.59 2nlo h LEU 109 N 0.51 0.00 0.19 1.46 5.85 -1.26 -3.44 115.31 118.61 2nlo h LEU 109 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2nlo h LEU 109 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2nlo h LEU 109 CO 0.11 0.51 -0.05 0.61 -0.34 0.00 0.00 178.44 179.29 2nlo n GLY 110 N -0.05 0.43 3.09 3.75 0.00 0.32 -5.00 105.19 107.72 2nlo n GLY 110 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2nlo n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nlo s ALA 111 N -2.09 -0.57 -0.09 4.61 0.00 -0.98 -4.28 121.76 118.36 2nlo s ALA 111 Ca 0.00 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2nlo s ALA 111 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2nlo s ALA 111 CO 0.00 -0.15 -0.20 0.08 0.00 0.00 0.00 175.76 175.49 2nlo s VAL 112 N 0.67 1.75 -0.68 0.00 1.01 -0.10 -4.61 120.40 118.45 2nlo s VAL 112 Ca -0.04 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2nlo s VAL 112 Cb -0.06 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2nlo s VAL 112 CO -0.04 0.49 0.55 -0.46 0.00 0.00 0.00 175.10 175.64 2nlo n ASN 113 N 3.67 1.08 -3.74 3.32 2.04 -0.82 -4.46 115.26 116.36 2nlo n ASN 113 Ca -0.20 -1.04 -0.16 0.00 -0.44 0.00 0.00 54.58 52.74 2nlo n ASN 113 Cb 0.52 0.42 -0.16 0.00 -2.53 0.00 0.00 39.78 38.03 2nlo n ASN 113 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2nlo s THR 114 N -1.04 -0.08 -0.14 5.53 2.01 -0.97 -1.22 115.64 119.72 2nlo s THR 114 Ca 0.06 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2nlo s THR 114 Cb 0.06 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.46 2nlo s THR 114 CO 0.17 0.11 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.40 2nlo s VAL 115 N 1.41 1.40 -0.19 3.82 1.01 0.11 -0.22 120.40 127.74 2nlo s VAL 115 Ca -0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2nlo s VAL 115 Cb -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2nlo s VAL 115 CO -0.04 0.39 0.27 -0.69 0.00 0.00 0.00 175.10 175.04 2nlo s VAL 116 N 1.55 5.31 -0.21 2.92 1.01 -0.02 -0.63 120.40 130.32 2nlo s VAL 116 Ca 0.04 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 2nlo s VAL 116 Cb -0.13 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2nlo s VAL 116 CO -0.10 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.75 2nlo s ILE 117 N 0.76 4.07 0.63 2.22 1.01 -0.78 -1.42 121.20 127.69 2nlo s ILE 117 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2nlo s ILE 117 Cb -0.13 -2.86 0.12 0.00 0.01 0.00 0.00 42.46 39.60 2nlo s ILE 117 CO 0.04 0.40 0.86 -0.90 0.00 0.00 0.00 174.94 175.34 2nlo n ASP 118 N 4.43 1.13 -0.22 3.58 5.68 -0.35 -4.64 116.55 126.16 2nlo n ASP 118 Ca -0.17 -1.96 0.06 0.00 -0.50 0.00 0.00 54.79 52.22 2nlo n ASP 118 Cb 0.52 -0.56 0.32 0.00 -1.14 0.00 0.00 41.12 40.26 2nlo n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nlo h ALA 119 N -0.61 1.65 -0.18 2.12 0.00 -1.97 -1.70 119.26 118.57 2nlo h ALA 119 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2nlo h ALA 119 Cb 1.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2nlo h ALA 119 CO 0.30 0.22 0.00 0.25 0.00 0.00 0.00 179.25 180.02 2nlo n THR 120 N -4.49 0.23 -1.25 0.00 -2.24 -1.26 -4.90 114.28 100.37 2nlo n THR 120 Ca 0.12 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2nlo n THR 120 Cb 0.23 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2nlo n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nlo n GLY 121 N 1.09 0.63 3.88 3.38 0.00 -0.64 -5.06 105.19 108.47 2nlo n GLY 121 Ca 0.15 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2nlo n GLY 121 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nlo s HIS 122 N -2.00 3.25 -0.00 1.61 3.76 -1.26 -4.87 115.29 115.78 2nlo s HIS 122 Ca 0.00 -0.07 0.06 0.00 -0.15 0.00 0.00 55.06 54.90 2nlo s HIS 122 Cb 0.00 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.20 2nlo s HIS 122 CO 0.00 0.49 -0.18 0.95 -0.85 0.00 0.00 174.74 175.15 2nlo s THR 123 N -2.06 1.41 -0.11 1.30 -4.23 -1.26 -1.21 115.64 109.47 2nlo s THR 123 Ca 0.33 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2nlo s THR 123 Cb -0.08 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.59 2nlo s THR 123 CO 0.27 0.35 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.67 2nlo s THR 124 N -0.49 1.37 0.08 3.99 2.01 -0.50 -1.03 115.64 121.07 2nlo s THR 124 Ca 0.07 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2nlo s THR 124 Cb -0.07 -1.29 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 2nlo s THR 124 CO -0.00 0.42 0.44 -0.83 -0.69 0.00 0.00 174.62 173.96 2nlo s GLY 125 N 1.23 2.41 0.17 4.40 0.00 0.59 -0.84 107.32 115.27 2nlo s GLY 125 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 2nlo s GLY 125 CO -0.05 -0.01 0.10 0.30 0.00 0.00 0.00 173.10 173.44 2nlo s HIS 126 N -1.33 1.04 -0.29 1.90 3.76 0.70 -0.68 115.29 120.39 2nlo s HIS 126 Ca 0.32 -1.31 -0.01 0.00 -0.15 0.00 0.00 55.06 53.91 2nlo s HIS 126 Cb -0.15 -0.53 0.09 0.00 1.11 0.00 0.00 32.58 33.10 2nlo s HIS 126 CO 0.17 -0.58 0.07 1.21 -0.85 0.00 0.00 174.74 174.76 2nlo s ASN 127 N -3.12 3.90 0.00 1.40 3.84 -1.26 -1.94 114.94 117.77 2nlo s ASN 127 Ca 0.33 -1.50 0.26 0.00 0.21 0.00 0.00 52.86 52.15 2nlo s ASN 127 Cb 0.07 -0.92 0.66 0.00 -0.55 0.00 0.00 41.25 40.52 2nlo s ASN 127 CO 0.08 -0.38 1.51 0.35 -2.79 0.00 0.00 177.10 175.87 2nlo n THR 128 N 4.81 0.00 -0.16 -5.21 -2.24 -1.26 -3.52 114.28 106.71 2nlo n THR 128 Ca -0.04 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2nlo n THR 128 Cb 0.43 0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2nlo n THR 128 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2nlo h ASP 129 N 2.29 0.74 0.37 3.42 3.32 -1.93 0.11 116.42 124.74 2nlo h ASP 129 Ca 0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 2nlo h ASP 129 Cb 0.61 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2nlo h ASP 129 CO 0.00 0.83 -0.18 0.58 -1.72 0.00 0.00 179.24 178.75 2nlo h VAL 130 N 0.63 0.63 -0.64 -1.35 2.07 -1.78 -0.82 116.25 114.99 2nlo h VAL 130 Ca 0.14 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2nlo h VAL 130 Cb 0.41 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2nlo h VAL 130 CO 0.01 0.07 0.31 0.77 0.02 0.00 0.00 177.57 178.75 2nlo h SER 131 N -0.71 0.82 -0.44 0.57 4.64 -1.63 -1.37 113.55 115.44 2nlo h SER 131 Ca -0.05 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 2nlo h SER 131 Cb 0.49 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2nlo h SER 131 CO 0.08 0.70 -0.08 1.23 -0.87 0.00 0.00 176.83 177.89 2nlo h GLY 132 N 0.99 0.89 1.12 -0.77 0.00 -0.68 -0.27 103.07 104.35 2nlo h GLY 132 Ca 0.22 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 2nlo h GLY 132 CO -0.03 0.66 -0.25 -2.75 0.00 0.00 0.00 176.54 174.17 2nlo h PHE 133 N 0.65 1.15 -0.71 5.60 3.57 -0.99 -1.28 116.94 124.94 2nlo h PHE 133 Ca 0.11 -0.29 0.03 0.00 3.53 0.00 0.00 57.97 61.35 2nlo h PHE 133 Cb 0.61 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2nlo h PHE 133 CO 0.05 1.13 0.45 0.78 -2.23 0.00 0.00 178.31 178.49 2nlo h GLY 134 N 0.85 1.03 1.04 2.40 0.00 -1.09 0.06 103.07 107.36 2nlo h GLY 134 Ca 0.10 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 2nlo h GLY 134 CO 0.07 0.31 0.11 -0.09 0.00 0.00 0.00 176.54 176.94 2nlo h ARG 135 N 0.90 1.02 -0.67 4.80 9.65 -0.91 -2.08 114.38 127.10 2nlo h ARG 135 Ca 0.28 -0.27 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 2nlo h ARG 135 Cb -0.01 -0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.38 2nlo h ARG 135 CO -0.10 0.95 0.32 0.78 2.80 0.00 0.00 179.97 184.72 2nlo h GLY 136 N 0.93 0.98 0.84 2.80 0.00 -0.51 0.39 103.07 108.50 2nlo h GLY 136 Ca 0.19 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.36 2nlo h GLY 136 CO 0.01 0.05 0.43 -0.33 0.00 0.00 0.00 176.54 176.71 2nlo h MET 137 N 0.55 0.82 -0.60 4.80 2.86 -0.69 0.25 114.93 122.92 2nlo h MET 137 Ca 0.33 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.83 2nlo h MET 137 Cb 0.34 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2nlo h MET 137 CO -0.26 0.54 0.04 0.93 1.06 0.00 0.00 176.91 179.22 2nlo h GLU 138 N 0.84 1.04 0.18 1.72 5.08 -0.68 -0.50 114.58 122.26 2nlo h GLU 138 Ca 0.29 -0.31 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 2nlo h GLU 138 Cb 0.05 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 29.22 2nlo h GLU 138 CO -0.12 1.00 -1.34 1.49 -1.00 0.00 0.00 179.01 179.03 2nlo h GLU 139 N 0.94 0.47 0.00 2.33 4.81 -0.70 -3.33 114.58 119.10 2nlo h GLU 139 Ca 0.18 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2nlo h GLU 139 Cb 0.50 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2nlo h GLU 139 CO 0.02 1.35 -1.21 0.41 -0.73 0.00 0.00 179.01 178.85 2nlo n GLY 140 N 1.56 -0.41 2.53 1.92 0.00 0.87 -4.64 105.19 107.02 2nlo n GLY 140 Ca -0.13 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2nlo n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nlo n LEU 141 N -1.70 3.02 0.27 0.99 4.77 -0.20 -4.70 117.00 119.45 2nlo n LEU 141 Ca -0.01 -4.19 0.14 0.00 -0.03 0.00 0.00 56.01 51.93 2nlo n LEU 141 Cb 0.27 0.05 0.76 0.00 -2.33 0.00 0.00 43.42 42.18 2nlo n LEU 141 CO 0.25 1.75 0.99 1.55 -1.33 0.00 0.00 177.39 180.60 2nlo h PRO 142 N 2.66 0.00 -0.24 3.23 0.13 -1.67 -2.34 132.00 133.77 2nlo h PRO 142 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2nlo h PRO 142 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2nlo h PRO 142 CO 0.58 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.54 2nlo n ASN 143 N -3.48 2.69 -4.77 1.44 5.03 -1.26 -5.04 115.26 109.87 2nlo n ASN 143 Ca -0.01 -1.80 -0.40 0.00 0.87 0.00 0.00 54.58 53.23 2nlo n ASN 143 Cb 0.24 -0.15 -0.01 0.00 -1.02 0.00 0.00 39.78 38.83 2nlo n ASN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2nlo s ALA 144 N -1.08 3.35 -0.08 5.41 0.00 -0.88 -4.99 121.76 123.49 2nlo s ALA 144 Ca 0.23 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 2nlo s ALA 144 Cb 0.14 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2nlo s ALA 144 CO 0.19 -0.74 1.05 0.21 0.00 0.00 0.00 175.76 176.47 2nlo s LYS 145 N -2.07 4.41 -0.00 0.00 2.20 -1.26 -4.96 119.74 118.07 2nlo s LYS 145 Ca 0.54 1.47 0.05 0.00 -0.36 0.00 0.00 55.97 57.66 2nlo s LYS 145 Cb -0.38 -3.54 0.14 0.00 -1.51 0.00 0.00 37.83 32.54 2nlo s LYS 145 CO 0.50 -0.33 1.12 1.28 -0.36 0.00 0.00 175.35 177.56 2nlo n LEU 146 N 4.96 2.43 -0.17 5.43 4.77 -1.26 -4.63 117.00 128.53 2nlo n LEU 146 Ca 0.09 -2.02 -0.03 0.00 -0.03 0.00 0.00 56.01 54.01 2nlo n LEU 146 Cb 0.48 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2nlo n LEU 146 CO 0.53 0.60 1.00 0.44 -1.33 0.00 0.00 177.39 178.63 2nlo h ASP 147 N 0.89 0.29 -3.29 -1.43 3.32 -1.92 -2.83 116.42 111.45 2nlo h ASP 147 Ca 0.00 0.05 -0.40 0.00 0.02 0.00 0.00 57.03 56.69 2nlo h ASP 147 Cb 0.62 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.78 2nlo h ASP 147 CO 0.00 0.20 -0.75 -0.55 -1.72 0.00 0.00 179.24 176.42 2nlo s SER 148 N -5.45 1.34 0.03 6.45 0.15 -1.26 -1.15 113.70 113.80 2nlo s SER 148 Ca -0.13 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.55 2nlo s SER 148 Cb 0.15 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 2nlo s SER 148 CO 0.74 -0.21 -0.12 -0.69 1.20 0.00 0.00 173.24 174.15 2nlo s VAL 149 N 2.01 0.95 -0.11 4.45 1.01 -0.12 -0.34 120.40 128.25 2nlo s VAL 149 Ca 0.04 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2nlo s VAL 149 Cb -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2nlo s VAL 149 CO -0.04 0.01 -0.09 -0.69 0.00 0.00 0.00 175.10 174.29 2nlo s VAL 150 N -0.76 3.47 -0.16 2.92 1.01 -0.56 -0.94 120.40 125.38 2nlo s VAL 150 Ca 0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2nlo s VAL 150 Cb -0.07 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2nlo s VAL 150 CO 0.01 0.55 -0.13 -1.58 0.00 0.00 0.00 175.10 173.94 2nlo s GLN 151 N -0.16 3.26 -0.36 2.72 0.74 0.30 -0.84 119.66 125.32 2nlo s GLN 151 Ca 0.01 -0.72 -0.14 0.00 0.05 0.00 0.00 55.36 54.56 2nlo s GLN 151 Cb -0.13 -2.69 -0.01 0.00 1.10 0.00 0.00 33.01 31.28 2nlo s GLN 151 CO 0.03 -0.01 0.27 0.08 -0.55 0.00 0.00 175.29 175.11 2nlo s VAL 152 N 0.89 5.27 0.00 1.34 1.01 -0.09 -0.97 120.40 127.85 2nlo s VAL 152 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2nlo s VAL 152 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2nlo s VAL 152 CO -0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.61 2nlo n GLY 153 N 5.11 2.44 0.39 4.51 0.00 0.19 0.19 105.19 118.01 2nlo n GLY 153 Ca -0.12 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.67 2nlo n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nlo n ALA 154 N 1.83 2.59 -2.63 4.61 0.00 -1.26 -4.64 120.51 121.02 2nlo n ALA 154 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.78 2nlo n ALA 154 Cb 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.13 2nlo n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nlo n GLY 155 N 0.71 1.14 7.00 0.00 0.00 -1.26 -4.13 105.19 108.64 2nlo n GLY 155 Ca 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2nlo n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nlo n GLY 156 N 1.42 3.42 0.63 -0.02 0.00 -1.26 -0.62 105.19 108.77 2nlo n GLY 156 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2nlo n GLY 156 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2nlo n VAL 157 N 0.00 0.52 -0.08 1.61 0.24 -1.26 -4.29 118.33 115.07 2nlo n VAL 157 Ca 0.00 -0.41 0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2nlo n VAL 157 Cb 0.00 0.06 0.51 0.00 -1.47 0.00 0.00 33.84 32.95 2nlo n VAL 157 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2nlo h GLY 158 N 5.22 0.55 0.91 7.63 0.00 -1.10 -1.12 103.07 115.17 2nlo h GLY 158 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2nlo h GLY 158 CO 0.04 0.09 0.11 3.45 0.00 0.00 0.00 176.54 180.23 2nlo h ASN 159 N 0.38 0.37 -0.46 0.19 -0.00 -1.75 -0.69 115.58 113.63 2nlo h ASN 159 Ca 0.28 -0.16 -0.11 0.00 -0.00 0.00 0.00 56.30 56.32 2nlo h ASN 159 Cb 0.60 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.81 2nlo h ASN 159 CO -0.08 0.43 -0.12 0.00 -0.00 0.00 0.00 177.43 177.66 2nlo h ALA 160 N 0.96 0.84 -0.22 4.14 0.00 -1.69 -2.08 119.26 121.21 2nlo h ALA 160 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2nlo h ALA 160 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2nlo h ALA 160 CO -0.01 0.65 0.14 0.28 0.00 0.00 0.00 179.25 180.31 2nlo h VAL 161 N 0.83 1.08 -0.55 0.00 2.07 -1.12 0.21 116.25 118.77 2nlo h VAL 161 Ca 0.13 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2nlo h VAL 161 Cb 0.66 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2nlo h VAL 161 CO 0.05 0.08 0.22 0.00 0.02 0.00 0.00 177.57 177.94 2nlo h ALA 162 N 1.05 0.72 -0.35 1.67 0.00 -0.98 0.42 119.26 121.79 2nlo h ALA 162 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2nlo h ALA 162 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2nlo h ALA 162 CO -0.02 0.34 0.20 -0.92 0.00 0.00 0.00 179.25 178.85 2nlo h TYR 163 N 0.76 0.47 -0.58 0.00 3.20 -1.21 -2.16 116.97 117.44 2nlo h TYR 163 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2nlo h TYR 163 Cb 0.20 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2nlo h TYR 163 CO 0.01 0.36 0.37 0.00 -1.64 0.00 0.00 178.16 177.26 2nlo h ALA 164 N 1.07 0.74 -0.05 1.82 0.00 -0.63 -2.28 119.26 119.92 2nlo h ALA 164 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2nlo h ALA 164 Cb 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2nlo h ALA 164 CO -0.02 0.20 -0.15 -0.07 0.00 0.00 0.00 179.25 179.21 2nlo h LEU 165 N 0.79 -0.44 -0.06 0.00 3.38 -0.49 -1.10 115.31 117.39 2nlo h LEU 165 Ca 0.21 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2nlo h LEU 165 Cb -0.05 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2nlo h LEU 165 CO -0.04 -0.20 0.00 1.33 0.09 0.00 0.00 178.44 179.62 2nlo n VAL 166 N -5.29 0.45 1.10 1.22 0.24 -0.85 -2.02 118.33 113.19 2nlo n VAL 166 Ca -0.04 -0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.24 2nlo n VAL 166 Cb 0.20 -0.62 0.17 0.00 -1.47 0.00 0.00 33.84 32.12 2nlo n VAL 166 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2nlo n THR 167 N -2.00 0.00 -1.82 3.34 -2.24 -0.87 -4.27 114.28 106.41 2nlo n THR 167 Ca 0.06 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 2nlo n THR 167 Cb 0.38 1.18 0.14 0.00 -2.10 0.00 0.00 70.33 69.93 2nlo n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nlo n HIS 168 N 0.63 0.71 0.00 4.78 8.25 -0.44 -4.98 115.22 124.16 2nlo n HIS 168 Ca 0.13 -1.61 0.00 0.00 -0.26 0.00 0.00 57.72 55.99 2nlo n HIS 168 Cb 0.50 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2nlo n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nlo n GLY 169 N -0.86 1.01 3.66 -1.41 0.00 -1.17 -4.99 105.19 101.44 2nlo n GLY 169 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2nlo n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nlo s VAL 170 N -2.01 4.21 -0.06 1.61 1.01 -0.86 -4.64 120.40 119.67 2nlo s VAL 170 Ca 0.00 1.46 -0.23 0.00 0.00 0.00 0.00 61.98 63.21 2nlo s VAL 170 Cb 0.00 -3.96 -0.30 0.00 0.00 0.00 0.00 36.38 32.12 2nlo s VAL 170 CO 0.00 -0.15 0.88 -0.61 0.00 0.00 0.00 175.10 175.22 2nlo h GLN 171 N 8.39 0.24 -4.41 2.72 4.15 -1.47 -3.41 115.11 121.33 2nlo h GLN 171 Ca -0.27 -0.41 -0.55 0.00 0.77 0.00 0.00 58.65 58.18 2nlo h GLN 171 Cb 1.11 0.15 -0.36 0.00 0.21 0.00 0.00 27.48 28.59 2nlo h GLN 171 CO 0.97 1.19 -0.81 0.21 -1.93 0.00 0.00 178.83 178.46 2nlo s LYS 172 N -2.41 1.79 -0.19 1.69 2.20 -0.30 -4.67 119.74 117.86 2nlo s LYS 172 Ca -0.15 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2nlo s LYS 172 Cb 0.00 -1.73 -0.01 0.00 -1.51 0.00 0.00 37.83 34.59 2nlo s LYS 172 CO 0.80 -0.22 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.31 2nlo s LEU 173 N 1.50 2.72 -0.28 5.43 2.96 0.31 -0.95 118.68 130.38 2nlo s LEU 173 Ca 0.02 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2nlo s LEU 173 Cb -0.13 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2nlo s LEU 173 CO -0.07 0.04 0.14 -1.10 -1.32 0.00 0.00 176.35 174.03 2nlo s GLN 174 N 1.10 3.67 -0.21 1.98 -0.21 -0.12 -1.05 119.66 124.83 2nlo s GLN 174 Ca 0.01 -0.49 -0.06 0.00 0.02 0.00 0.00 55.36 54.84 2nlo s GLN 174 Cb -0.15 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 2nlo s GLN 174 CO -0.02 -0.25 0.03 0.08 -2.12 0.00 0.00 175.29 173.01 2nlo s VAL 175 N 1.67 4.21 -0.07 1.09 1.01 -0.37 -0.54 120.40 127.40 2nlo s VAL 175 Ca 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2nlo s VAL 175 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2nlo s VAL 175 CO 0.07 0.40 -0.10 0.00 0.00 0.00 0.00 175.10 175.47 2nlo s ALA 176 N 1.08 2.81 0.00 5.51 0.00 -0.14 -1.19 121.76 129.84 2nlo s ALA 176 Ca 0.03 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 2nlo s ALA 176 Cb -0.14 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 2nlo s ALA 176 CO 0.02 0.52 0.12 0.34 0.00 0.00 0.00 175.76 176.76 2nlo s ASP 177 N -0.61 0.04 0.26 0.00 2.15 -1.26 0.53 116.67 117.79 2nlo s ASP 177 Ca 0.09 -0.23 -0.02 0.00 0.43 0.00 0.00 52.55 52.83 2nlo s ASP 177 Cb -0.11 0.20 0.56 0.00 -0.30 0.00 0.00 42.92 43.27 2nlo s ASP 177 CO 0.01 -0.36 1.69 -0.07 -0.17 0.00 0.00 175.17 176.28 2nlo h LEU 178 N 4.35 0.11 -8.19 -1.34 -0.00 -1.97 -3.26 115.31 105.02 2nlo h LEU 178 Ca -0.31 0.15 -0.65 0.00 -0.00 0.00 0.00 57.88 57.07 2nlo h LEU 178 Cb 1.20 0.18 -0.16 0.00 -0.00 0.00 0.00 40.66 41.88 2nlo h LEU 178 CO 0.41 -0.03 0.52 -0.62 -0.00 0.00 0.00 178.44 178.71 2nlo s ASP 179 N -5.22 6.26 0.37 -0.43 -1.08 -1.26 -4.90 116.67 110.41 2nlo s ASP 179 Ca -0.12 -1.26 0.09 0.00 -0.52 0.00 0.00 52.55 50.73 2nlo s ASP 179 Cb 0.23 -2.39 0.83 0.00 -1.46 0.00 0.00 42.92 40.13 2nlo s ASP 179 CO 0.77 -1.32 1.92 0.74 0.52 0.00 0.00 175.17 177.80 2nlo h THR 180 N 5.94 0.91 -0.25 1.71 2.02 -1.93 -0.92 112.91 120.39 2nlo h THR 180 Ca -0.21 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 2nlo h THR 180 Cb 1.06 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2nlo h THR 180 CO 1.15 0.12 -0.14 0.77 0.37 0.00 0.00 175.52 177.80 2nlo h SER 181 N 0.66 0.39 -0.47 4.18 4.64 -1.91 -0.40 113.55 120.64 2nlo h SER 181 Ca 0.37 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 2nlo h SER 181 Cb 0.54 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2nlo h SER 181 CO -0.14 0.56 0.09 -0.09 -0.87 0.00 0.00 176.83 176.38 2nlo h ARG 182 N 0.38 0.77 -0.43 4.77 2.43 -1.57 -0.27 114.38 120.47 2nlo h ARG 182 Ca 0.07 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2nlo h ARG 182 Cb 0.47 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2nlo h ARG 182 CO 0.03 0.78 0.02 0.00 -1.51 0.00 0.00 179.97 179.28 2nlo h ALA 183 N 0.96 0.57 -0.64 2.80 0.00 -1.12 -1.86 119.26 119.97 2nlo h ALA 183 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2nlo h ALA 183 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2nlo h ALA 183 CO 0.01 0.34 0.18 0.37 0.00 0.00 0.00 179.25 180.14 2nlo h GLN 184 N 0.58 1.01 -0.60 0.00 5.75 -0.99 -0.37 115.11 120.50 2nlo h GLN 184 Ca 0.12 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.41 2nlo h GLN 184 Cb 0.46 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 2nlo h GLN 184 CO 0.02 0.90 0.38 0.00 -2.65 0.00 0.00 178.83 177.48 2nlo h ALA 185 N 1.07 0.77 -0.43 3.38 0.00 -0.95 -0.61 119.26 122.50 2nlo h ALA 185 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2nlo h ALA 185 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2nlo h ALA 185 CO -0.00 0.13 0.18 1.25 0.00 0.00 0.00 179.25 180.81 2nlo h LEU 186 N 0.75 0.58 -0.63 0.00 5.85 -1.09 -1.54 115.31 119.23 2nlo h LEU 186 Ca 0.23 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2nlo h LEU 186 Cb -0.02 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2nlo h LEU 186 CO -0.08 0.58 0.32 0.00 -0.34 0.00 0.00 178.44 178.92 2nlo h ALA 187 N 1.03 0.83 -0.53 1.25 0.00 -0.56 -1.26 119.26 120.02 2nlo h ALA 187 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2nlo h ALA 187 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2nlo h ALA 187 CO -0.01 -0.03 0.18 -0.44 0.00 0.00 0.00 179.25 178.95 2nlo h ASP 188 N 0.60 0.76 -0.03 0.00 3.32 -0.86 -0.40 116.42 119.81 2nlo h ASP 188 Ca 0.29 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2nlo h ASP 188 Cb 0.22 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2nlo h ASP 188 CO -0.20 0.75 0.00 0.58 -1.72 0.00 0.00 179.24 178.65 2nlo h VAL 189 N 0.73 0.98 -0.27 -1.35 2.07 -0.81 -1.84 116.25 115.76 2nlo h VAL 189 Ca 0.17 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 2nlo h VAL 189 Cb 0.25 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2nlo h VAL 189 CO -0.01 0.00 0.04 0.40 0.02 0.00 0.00 177.57 178.03 2nlo h ILE 190 N 0.02 1.23 -0.93 4.57 1.08 -1.12 -1.49 117.51 120.87 2nlo h ILE 190 Ca 0.02 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2nlo h ILE 190 Cb 0.01 1.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2nlo h ILE 190 CO -0.02 0.25 0.60 0.78 -0.69 0.00 0.00 178.15 179.07 2nlo h ASN 191 N 0.26 1.08 -0.54 1.72 2.35 -1.04 -1.18 115.58 118.23 2nlo h ASN 191 Ca 0.08 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2nlo h ASN 191 Cb 0.33 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2nlo h ASN 191 CO 0.01 0.80 0.04 -1.13 -1.65 0.00 0.00 177.43 175.49 2nlo h ASN 192 N 1.27 0.93 -0.54 5.81 -1.24 -1.18 0.08 115.58 120.71 2nlo h ASN 192 Ca 0.34 -0.23 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 2nlo h ASN 192 Cb -0.12 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.67 2nlo h ASN 192 CO -0.07 0.96 -0.07 0.00 -1.29 0.00 0.00 177.43 176.96 2nlo h ALA 193 N 1.14 0.82 0.00 1.57 0.00 -0.26 -3.26 119.26 119.27 2nlo h ALA 193 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2nlo h ALA 193 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2nlo h ALA 193 CO 0.02 0.66 -1.40 1.33 0.00 0.00 0.00 179.25 179.86 2nlo n VAL 194 N -4.16 0.07 -1.99 0.00 0.24 -0.55 -5.00 118.33 106.95 2nlo n VAL 194 Ca 0.02 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2nlo n VAL 194 Cb 0.38 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2nlo n VAL 194 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nlo n GLY 195 N 1.36 0.44 3.58 7.63 0.00 -0.00 -5.05 105.19 113.14 2nlo n GLY 195 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2nlo n GLY 195 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2nlo s ARG 196 N -4.01 1.46 -1.30 1.61 1.70 -1.10 -5.05 118.95 112.26 2nlo s ARG 196 Ca 0.00 -0.71 -0.16 0.00 -0.47 0.00 0.00 55.73 54.39 2nlo s ARG 196 Cb 0.00 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.05 2nlo s ARG 196 CO 0.00 -0.65 1.74 -1.91 -1.08 0.00 0.00 175.30 173.40 2nlo n GLU 197 N -0.40 3.21 0.05 3.89 2.13 -1.26 -4.46 120.64 123.81 2nlo n GLU 197 Ca -0.12 -3.33 -0.14 0.00 0.66 0.00 0.00 57.16 54.24 2nlo n GLU 197 Cb 0.63 -3.35 -0.14 0.00 0.27 0.00 0.00 31.44 28.85 2nlo n GLU 197 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nlo h ALA 198 N 7.21 0.38 -4.55 4.31 0.00 -1.90 -3.47 119.26 121.23 2nlo h ALA 198 Ca 0.43 -1.14 -0.70 0.00 0.00 0.00 0.00 54.91 53.51 2nlo h ALA 198 Cb 0.83 0.24 -0.29 0.00 0.00 0.00 0.00 17.79 18.57 2nlo h ALA 198 CO 1.47 1.24 -0.88 0.08 0.00 0.00 0.00 179.25 181.16 2nlo s VAL 199 N -2.63 2.10 -0.03 0.00 1.01 -1.26 -0.53 120.40 119.06 2nlo s VAL 199 Ca -0.07 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.81 2nlo s VAL 199 Cb 0.08 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2nlo s VAL 199 CO 0.84 0.56 -0.08 0.54 0.00 0.00 0.00 175.10 176.95 2nlo s VAL 200 N -0.64 0.75 0.20 2.92 0.11 -0.21 -4.87 120.40 118.66 2nlo s VAL 200 Ca 0.10 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.54 2nlo s VAL 200 Cb -0.10 -0.69 -0.08 0.00 -1.53 0.00 0.00 36.38 33.98 2nlo s VAL 200 CO -0.01 0.25 1.16 -0.83 -3.33 0.00 0.00 175.10 172.34 2nlo s GLY 201 N 0.38 2.78 0.12 6.54 0.00 -1.26 -1.23 107.32 114.65 2nlo s GLY 201 Ca -0.06 0.92 0.04 0.00 0.00 0.00 0.00 44.72 45.62 2nlo s GLY 201 CO 0.01 1.76 -0.10 -1.34 0.00 0.00 0.00 173.10 173.42 2nlo s VAL 202 N -0.29 1.05 0.34 1.40 -7.23 -0.33 -4.88 120.40 110.45 2nlo s VAL 202 Ca 0.51 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2nlo s VAL 202 Cb -0.32 -1.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.95 2nlo s VAL 202 CO 0.37 -0.63 1.39 -1.81 -0.31 0.00 0.00 175.10 174.11 2nlo s ASP 203 N -2.74 6.61 0.27 4.85 1.01 -1.26 -4.12 116.67 121.29 2nlo s ASP 203 Ca 0.10 2.82 0.04 0.00 0.71 0.00 0.00 52.55 56.21 2nlo s ASP 203 Cb -0.01 -2.65 0.39 0.00 1.01 0.00 0.00 42.92 41.66 2nlo s ASP 203 CO 0.00 -0.67 1.68 0.00 0.21 0.00 0.00 175.17 176.39 2nlo h ALA 204 N 3.45 1.05 -2.39 5.23 0.00 -1.92 -3.39 119.26 121.30 2nlo h ALA 204 Ca -0.49 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.48 2nlo h ALA 204 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2nlo h ALA 204 CO 0.67 0.59 0.74 1.03 0.00 0.00 0.00 179.25 182.28 2nlo s ARG 205 N -4.27 4.33 -0.04 0.00 0.52 -1.26 -2.30 118.95 115.92 2nlo s ARG 205 Ca -0.06 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 2nlo s ARG 205 Cb 0.13 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 32.10 2nlo s ARG 205 CO 0.79 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 176.04 2nlo n GLY 206 N 3.49 0.44 0.28 -3.53 0.00 -1.26 -4.93 105.19 99.67 2nlo n GLY 206 Ca 0.12 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.52 2nlo n GLY 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nlo h ILE 207 N 0.00 0.52 -0.65 -0.61 6.09 -1.65 -2.65 117.51 118.55 2nlo h ILE 207 Ca -0.01 -0.36 0.12 0.00 -1.37 0.00 0.00 64.86 63.24 2nlo h ILE 207 Cb 0.03 1.24 -0.09 0.00 0.47 0.00 0.00 36.82 38.48 2nlo h ILE 207 CO 0.01 0.08 0.21 -0.33 -3.07 0.00 0.00 178.15 175.05 2nlo h GLU 208 N 0.00 0.35 -0.62 2.19 3.07 -1.92 -0.51 114.58 117.15 2nlo h GLU 208 Ca -0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2nlo h GLU 208 Cb 0.23 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 2nlo h GLU 208 CO 0.01 0.23 0.28 -0.44 -1.40 0.00 0.00 179.01 177.69 2nlo h ASP 209 N 0.36 0.79 -0.26 1.42 3.32 -1.89 -0.30 116.42 119.86 2nlo h ASP 209 Ca 0.35 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 2nlo h ASP 209 Cb 0.49 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2nlo h ASP 209 CO -0.38 0.68 -0.27 0.58 -1.72 0.00 0.00 179.24 178.13 2nlo h VAL 210 N 0.87 1.31 -0.55 -1.35 2.07 -1.40 -2.99 116.25 114.21 2nlo h VAL 210 Ca 0.21 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2nlo h VAL 210 Cb 0.11 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2nlo h VAL 210 CO -0.03 0.46 0.30 0.40 0.02 0.00 0.00 177.57 178.72 2nlo h ILE 211 N 0.37 1.18 -0.58 4.57 2.04 -0.86 -2.76 117.51 121.48 2nlo h ILE 211 Ca 0.04 -0.47 0.09 0.00 1.00 0.00 0.00 64.86 65.52 2nlo h ILE 211 Cb 0.84 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2nlo h ILE 211 CO 0.07 0.20 0.39 0.00 0.00 0.00 0.00 178.15 178.80 2nlo h ALA 212 N 1.13 1.99 0.00 1.87 0.00 -0.97 -0.23 119.26 123.06 2nlo h ALA 212 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2nlo h ALA 212 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2nlo h ALA 212 CO -0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 179.25 178.84 2nlo n ALA 213 N -2.52 2.94 -2.07 0.00 0.00 -1.08 -4.93 120.51 112.86 2nlo n ALA 213 Ca 0.09 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 2nlo n ALA 213 Cb 0.34 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.54 2nlo n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nlo s ALA 214 N -3.01 3.69 0.01 0.00 0.00 -0.10 -5.03 121.76 117.32 2nlo s ALA 214 Ca 0.12 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 51.06 2nlo s ALA 214 Cb 0.18 -2.23 -0.17 0.00 0.00 0.00 0.00 23.12 20.90 2nlo s ALA 214 CO 0.62 -0.73 1.08 -0.44 0.00 0.00 0.00 175.76 176.28 2nlo h ASP 215 N 0.03 0.00 -4.99 0.00 3.32 -0.95 -3.47 116.42 110.36 2nlo h ASP 215 Ca -0.44 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2nlo h ASP 215 Cb 1.28 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.74 2nlo h ASP 215 CO 0.56 0.89 0.24 -0.83 -1.72 0.00 0.00 179.24 178.37 2nlo s GLY 216 N -4.80 -0.40 -0.08 2.75 0.00 -1.18 -2.29 107.32 101.31 2nlo s GLY 216 Ca -0.01 0.20 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 2nlo s GLY 216 CO 0.81 0.07 0.22 0.54 0.00 0.00 0.00 173.10 174.74 2nlo s VAL 217 N -3.77 -0.01 -0.10 1.40 0.11 -0.82 -1.49 120.40 115.71 2nlo s VAL 217 Ca 0.05 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 2nlo s VAL 217 Cb -0.03 -0.32 -0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2nlo s VAL 217 CO -0.05 0.02 -0.23 -0.69 -3.33 0.00 0.00 175.10 170.82 2nlo s VAL 218 N 0.42 2.18 -0.22 2.04 1.01 -0.02 -0.98 120.40 124.82 2nlo s VAL 218 Ca -0.02 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 2nlo s VAL 218 Cb -0.04 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2nlo s VAL 218 CO -0.02 0.56 0.76 0.21 0.00 0.00 0.00 175.10 176.61 2nlo s ASN 219 N 0.32 6.78 -0.15 3.32 2.47 -0.07 -0.92 114.94 126.70 2nlo s ASN 219 Ca -0.18 0.96 0.17 0.00 0.42 0.00 0.00 52.86 54.24 2nlo s ASN 219 Cb -0.18 -2.41 0.33 0.00 -1.45 0.00 0.00 41.25 37.55 2nlo s ASN 219 CO 0.08 -0.43 1.17 0.00 -3.72 0.00 0.00 177.10 174.21 2nlo n ALA 220 N 5.66 2.68 -2.25 1.71 0.00 0.13 -1.03 120.51 127.40 2nlo n ALA 220 Ca 0.03 -2.82 -0.19 0.00 0.00 0.00 0.00 53.44 50.46 2nlo n ALA 220 Cb 0.48 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.56 2nlo n ALA 220 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2nlo s THR 221 N -2.98 3.58 -2.00 0.00 -4.23 -1.16 -4.60 115.64 104.24 2nlo s THR 221 Ca 0.34 -0.92 0.25 0.00 -1.18 0.00 0.00 61.69 60.18 2nlo s THR 221 Cb 0.31 -3.24 0.72 0.00 1.34 0.00 0.00 72.50 71.63 2nlo s THR 221 CO 0.00 -0.11 1.88 -0.81 -0.54 0.00 0.00 174.62 175.04 2nlo n PRO 222 N -1.82 0.81 -1.73 3.99 -0.04 -1.26 -4.67 135.00 130.29 2nlo n PRO 222 Ca 0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 2nlo n PRO 222 Cb 0.58 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2nlo n PRO 222 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2nlo n MET 223 N -0.99 2.69 0.00 0.54 2.81 -1.26 -2.05 117.12 118.86 2nlo n MET 223 Ca 0.19 0.96 0.00 0.00 -1.81 0.00 0.00 57.70 57.04 2nlo n MET 223 Cb 0.09 -2.77 0.00 0.00 -0.71 0.00 0.00 33.22 29.83 2nlo n MET 223 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2nlo n GLY 224 N 3.05 2.26 3.78 3.03 0.00 0.51 -4.85 105.19 112.98 2nlo n GLY 224 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2nlo n GLY 224 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nlo s MET 225 N -0.25 2.86 0.52 1.61 -1.94 -0.87 -4.33 119.30 116.90 2nlo s MET 225 Ca 0.00 1.27 0.18 0.00 -1.71 0.00 0.00 55.69 55.44 2nlo s MET 225 Cb 0.00 -1.97 1.31 0.00 2.01 0.00 0.00 34.83 36.18 2nlo s MET 225 CO 0.00 -1.19 2.11 -1.35 -0.01 0.00 0.00 175.02 174.58 2nlo h PRO 226 N -0.11 0.00 -0.02 2.03 0.11 -1.91 -0.36 132.00 131.74 2nlo h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2nlo h PRO 226 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2nlo h PRO 226 CO 0.55 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.32 2nlo n ALA 227 N -2.56 2.60 -3.07 -0.75 0.00 -1.26 -4.21 120.51 111.25 2nlo n ALA 227 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 2nlo n ALA 227 Cb 0.21 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 2nlo n ALA 227 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2nlo n HIS 228 N 0.16 0.34 -1.67 0.00 8.25 -0.20 -5.10 115.22 117.00 2nlo n HIS 228 Ca 0.18 -3.58 -0.35 0.00 -0.26 0.00 0.00 57.72 53.71 2nlo n HIS 228 Cb 0.36 -0.38 0.07 0.00 1.12 0.00 0.00 29.99 31.16 2nlo n HIS 228 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2nlo s PRO 229 N -2.54 2.47 0.00 -0.41 0.04 -0.90 -0.36 135.00 133.31 2nlo s PRO 229 Ca 0.37 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2nlo s PRO 229 Cb 0.37 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 33.05 2nlo s PRO 229 CO -0.05 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.80 2nlo n GLY 230 N 0.52 -0.43 3.19 0.56 0.00 -1.26 -4.62 105.19 103.15 2nlo n GLY 230 Ca 0.14 -2.16 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 2nlo n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nlo s THR 231 N 0.00 1.14 -1.08 2.61 -4.23 -1.26 -2.69 115.64 110.13 2nlo s THR 231 Ca 0.00 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.34 2nlo s THR 231 Cb 0.00 -1.22 0.28 0.00 1.34 0.00 0.00 72.50 72.90 2nlo s THR 231 CO 0.00 -0.32 1.90 0.00 -0.54 0.00 0.00 174.62 175.67 2nlo n ALA 232 N 1.00 2.29 -3.34 3.99 0.00 -1.26 -4.82 120.51 118.37 2nlo n ALA 232 Ca -0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2nlo n ALA 232 Cb 0.55 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2nlo n ALA 232 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2nlo s PHE 233 N -2.92 0.11 -0.36 0.00 -0.12 -1.26 -5.08 117.98 108.34 2nlo s PHE 233 Ca 0.16 -0.49 -0.29 0.00 -0.05 0.00 0.00 56.93 56.26 2nlo s PHE 233 Cb 0.18 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 2nlo s PHE 233 CO 0.49 -1.01 1.40 0.34 -0.05 0.00 0.00 175.22 176.39 2nlo s ASP 234 N -2.95 6.43 0.11 1.98 -1.08 -1.26 -4.89 116.67 115.00 2nlo s ASP 234 Ca 0.16 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.35 2nlo s ASP 234 Cb -0.02 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.58 2nlo s ASP 234 CO 0.05 -1.32 1.48 1.33 0.52 0.00 0.00 175.17 177.22 2nlo n VAL 235 N 6.78 1.13 0.29 1.11 0.24 -1.26 -1.92 118.33 124.70 2nlo n VAL 235 Ca 0.16 0.34 0.19 0.00 -2.04 0.00 0.00 64.34 62.99 2nlo n VAL 235 Cb 0.47 -1.21 0.96 0.00 -1.47 0.00 0.00 33.84 32.59 2nlo n VAL 235 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2nlo h SER 236 N 0.00 0.00 1.01 -1.34 4.64 -2.00 -1.94 113.55 113.92 2nlo h SER 236 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nlo h SER 236 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2nlo h SER 236 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2nlo s LEU 238 N -3.66 3.77 0.32 0.00 1.43 -0.73 -4.33 118.68 115.48 2nlo s LEU 238 Ca 0.10 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.12 2nlo s LEU 238 Cb 0.14 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 2nlo s LEU 238 CO 0.48 -0.83 0.05 0.42 0.23 0.00 0.00 176.35 176.70 2nlo s THR 239 N -2.12 1.22 0.64 5.49 -4.23 -1.26 -5.03 115.64 110.35 2nlo s THR 239 Ca 0.66 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.56 2nlo s THR 239 Cb -0.16 -2.78 0.41 0.00 1.34 0.00 0.00 72.50 71.31 2nlo s THR 239 CO 0.24 -0.01 2.33 0.07 -0.54 0.00 0.00 174.62 176.70 2nlo h LYS 240 N 2.12 0.00 0.00 3.99 2.10 -1.95 -2.12 116.57 120.71 2nlo h LYS 240 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2nlo h LYS 240 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2nlo h LYS 240 CO 0.70 0.00 -0.38 -0.44 -2.00 0.00 0.00 179.45 177.33 2nlo h ASP 241 N 0.00 0.00 -4.17 7.07 3.32 -1.92 -3.36 116.42 117.36 2nlo h ASP 241 Ca 0.00 -0.07 -0.51 0.00 0.02 0.00 0.00 57.03 56.48 2nlo h ASP 241 Cb 0.01 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.66 2nlo h ASP 241 CO -0.00 0.03 0.39 -1.00 -1.72 0.00 0.00 179.24 176.94 2nlo s HIS 242 N -3.20 2.59 0.12 4.55 3.76 -0.80 -4.96 115.29 117.35 2nlo s HIS 242 Ca 0.06 1.55 0.05 0.00 -0.15 0.00 0.00 55.06 56.58 2nlo s HIS 242 Cb 0.10 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 2nlo s HIS 242 CO 0.69 -1.74 0.02 1.67 -0.85 0.00 0.00 174.74 174.53 2nlo s TRP 243 N -2.18 2.97 -0.03 1.40 1.48 -0.97 -3.84 118.94 117.77 2nlo s TRP 243 Ca 0.69 -0.05 0.02 0.00 -1.06 0.00 0.00 56.10 55.69 2nlo s TRP 243 Cb -0.22 -1.49 0.01 0.00 -1.16 0.00 0.00 33.47 30.61 2nlo s TRP 243 CO 0.39 0.49 -0.07 0.08 -4.06 0.00 0.00 176.95 173.78 2nlo s VAL 244 N -1.47 0.69 0.21 -0.66 1.01 -0.65 -1.94 120.40 117.59 2nlo s VAL 244 Ca 0.27 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.09 2nlo s VAL 244 Cb -0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2nlo s VAL 244 CO 0.19 0.23 -0.23 -0.83 0.00 0.00 0.00 175.10 174.47 2nlo s GLY 245 N 0.45 1.71 -0.03 4.51 0.00 -0.15 -0.95 107.32 112.86 2nlo s GLY 245 Ca -0.07 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 42.97 2nlo s GLY 245 CO 0.01 -1.71 0.07 -0.35 0.00 0.00 0.00 173.10 171.11 2nlo s ASP 246 N -2.83 -0.02 0.38 1.64 -1.08 -0.55 -0.89 116.67 113.32 2nlo s ASP 246 Ca 0.22 0.14 0.20 0.00 -0.52 0.00 0.00 52.55 52.59 2nlo s ASP 246 Cb -0.07 0.06 0.55 0.00 -1.46 0.00 0.00 42.92 42.00 2nlo s ASP 246 CO 0.10 -0.10 1.66 0.58 0.52 0.00 0.00 175.17 177.94 2nlo h VAL 247 N 5.86 0.63 -3.31 1.11 2.07 -1.40 -2.10 116.25 119.11 2nlo h VAL 247 Ca -0.39 -1.53 -0.53 0.00 0.82 0.00 0.00 66.70 65.08 2nlo h VAL 247 Cb 1.15 2.03 0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2nlo h VAL 247 CO 0.46 0.31 0.58 -0.69 0.02 0.00 0.00 177.57 178.25 2nlo s VAL 248 N -3.36 3.69 0.00 2.57 1.01 -1.26 -4.60 120.40 118.45 2nlo s VAL 248 Ca 0.02 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2nlo s VAL 248 Cb 0.09 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2nlo s VAL 248 CO 0.68 0.16 0.33 0.00 0.00 0.00 0.00 175.10 176.26 2nlo n TYR 249 N 3.21 0.00 -3.94 5.22 0.18 -1.26 -3.49 117.16 117.08 2nlo n TYR 249 Ca 0.07 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.53 2nlo n TYR 249 Cb 0.45 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.27 2nlo n TYR 249 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 2nlo s MET 250 N -0.19 1.77 0.74 -3.48 -1.94 -1.26 -1.68 119.30 113.26 2nlo s MET 250 Ca 0.00 -2.10 -0.12 0.00 -1.71 0.00 0.00 55.69 51.76 2nlo s MET 250 Cb 0.00 -3.34 0.04 0.00 2.01 0.00 0.00 34.83 33.54 2nlo s MET 250 CO 0.00 -1.02 1.13 -1.25 -0.01 0.00 0.00 175.02 173.87 2nlo s PRO 251 N 0.57 2.51 0.12 2.03 0.04 -1.26 -4.15 135.00 134.87 2nlo s PRO 251 Ca 0.12 0.32 -0.13 0.00 0.04 0.00 0.00 61.00 61.35 2nlo s PRO 251 Cb -0.21 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2nlo s PRO 251 CO -0.05 -1.25 1.50 0.82 0.04 0.00 0.00 177.00 178.06 2nlo h ILE 252 N -0.81 1.28 -3.59 0.56 2.04 -1.63 -3.35 117.51 112.02 2nlo h ILE 252 Ca -0.45 -1.29 -0.79 0.00 1.00 0.00 0.00 64.86 63.33 2nlo h ILE 252 Cb 1.28 1.31 -0.26 0.00 -0.74 0.00 0.00 36.82 38.41 2nlo h ILE 252 CO 0.65 0.43 0.32 -0.70 0.00 0.00 0.00 178.15 178.85 2nlo s GLU 253 N -4.65 3.86 0.79 2.37 2.12 -1.26 -4.70 118.70 117.24 2nlo s GLU 253 Ca -0.12 -2.74 -0.11 0.00 0.36 0.00 0.00 54.97 52.36 2nlo s GLU 253 Cb 0.10 -4.53 0.07 0.00 0.26 0.00 0.00 34.13 30.03 2nlo s GLU 253 CO 0.83 -1.31 1.09 0.95 -0.54 0.00 0.00 175.26 176.28 2nlo s THR 254 N -0.24 3.25 0.27 -1.70 -4.23 -1.26 -4.77 115.64 106.96 2nlo s THR 254 Ca 0.25 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2nlo s THR 254 Cb -0.09 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.09 2nlo s THR 254 CO -0.08 -0.53 1.82 -0.08 -0.54 0.00 0.00 174.62 175.20 2nlo h GLU 255 N -1.18 0.87 -0.04 3.99 4.81 -1.85 0.59 114.58 121.78 2nlo h GLU 255 Ca -0.45 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2nlo h GLU 255 Cb 1.24 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2nlo h GLU 255 CO 0.53 0.58 -0.05 1.25 -0.73 0.00 0.00 179.01 180.58 2nlo h LEU 256 N 0.90 -0.16 -0.88 1.64 5.85 -1.92 -1.32 115.31 119.41 2nlo h LEU 256 Ca 0.48 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 59.12 2nlo h LEU 256 Cb 0.52 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2nlo h LEU 256 CO -0.28 -0.08 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.30 2nlo h LEU 257 N -0.08 0.38 -0.38 2.25 3.38 -1.68 -1.14 115.31 118.05 2nlo h LEU 257 Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2nlo h LEU 257 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2nlo h LEU 257 CO -0.08 0.73 0.24 0.11 0.09 0.00 0.00 178.44 179.52 2nlo h LYS 258 N 0.31 0.51 -0.64 1.13 1.57 -0.79 0.44 116.57 119.10 2nlo h LYS 258 Ca 0.03 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2nlo h LYS 258 Cb 0.80 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2nlo h LYS 258 CO 0.06 0.36 0.19 0.00 -0.57 0.00 0.00 179.45 179.49 2nlo h ALA 259 N 1.11 0.84 -0.19 3.86 0.00 -0.84 -0.82 119.26 123.23 2nlo h ALA 259 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2nlo h ALA 259 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2nlo h ALA 259 CO -0.03 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.83 2nlo h ALA 260 N 1.07 0.24 -0.77 0.00 0.00 -1.05 -2.91 119.26 115.84 2nlo h ALA 260 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2nlo h ALA 260 Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2nlo h ALA 260 CO -0.00 -0.16 0.51 0.00 0.00 0.00 0.00 179.25 179.59 2nlo h ARG 261 N 0.15 1.00 -0.47 0.00 3.08 -0.71 -1.35 114.38 116.06 2nlo h ARG 261 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2nlo h ARG 261 Cb 0.18 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2nlo h ARG 261 CO -0.00 0.66 0.26 0.00 -1.07 0.00 0.00 179.97 179.82 2nlo h ALA 262 N 1.53 1.58 0.00 0.04 0.00 -0.96 -1.16 119.26 120.29 2nlo h ALA 262 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2nlo h ALA 262 Cb -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2nlo h ALA 262 CO -0.06 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.82 2nlo n LEU 263 N -4.42 0.55 0.00 0.00 4.77 -0.87 -4.91 117.00 112.11 2nlo n LEU 263 Ca 0.04 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2nlo n LEU 263 Cb 0.09 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2nlo n LEU 263 CO 0.36 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2nlo n GLY 264 N 1.16 0.79 3.77 -0.72 0.00 -0.44 -4.31 105.19 105.43 2nlo n GLY 264 Ca 0.05 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2nlo n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nlo s GLU 266 N -2.08 4.02 0.09 0.00 0.41 -1.25 -4.42 118.70 115.47 2nlo s GLU 266 Ca 0.54 2.07 0.05 0.00 -0.41 0.00 0.00 54.97 57.22 2nlo s GLU 266 Cb -0.38 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.18 2nlo s GLU 266 CO 0.49 -0.42 -0.13 0.95 -0.49 0.00 0.00 175.26 175.66 2nlo s THR 267 N -1.29 1.10 -0.23 3.63 -4.23 -1.26 -1.63 115.64 111.73 2nlo s THR 267 Ca 0.56 -1.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2nlo s THR 267 Cb -0.36 -1.25 0.05 0.00 1.34 0.00 0.00 72.50 72.28 2nlo s THR 267 CO 0.46 -0.37 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.84 2nlo s LEU 268 N -2.12 2.86 0.67 4.79 2.96 -0.13 -4.80 118.68 122.91 2nlo s LEU 268 Ca 0.03 -1.15 -0.07 0.00 -0.22 0.00 0.00 54.13 52.71 2nlo s LEU 268 Cb -0.07 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.26 2nlo s LEU 268 CO 0.02 -0.17 1.00 1.51 -1.32 0.00 0.00 176.35 177.39 2nlo s ASP 269 N 1.25 5.19 0.00 3.68 1.47 -1.26 -1.48 116.67 125.51 2nlo s ASP 269 Ca -0.05 0.68 0.27 0.00 1.18 0.00 0.00 52.55 54.64 2nlo s ASP 269 Cb -0.18 -1.48 1.22 0.00 -0.34 0.00 0.00 42.92 42.14 2nlo s ASP 269 CO -0.07 -1.38 1.89 0.61 0.68 0.00 0.00 175.17 176.91 2nlo n GLY 270 N -2.83 -1.38 0.17 2.12 0.00 -0.79 -3.48 105.19 99.00 2nlo n GLY 270 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2nlo n GLY 270 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nlo h THR 271 N 0.00 1.26 -0.00 2.61 1.35 -1.86 -3.13 112.91 113.13 2nlo h THR 271 Ca 0.00 -1.55 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2nlo h THR 271 Cb 0.41 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2nlo h THR 271 CO 0.00 0.43 0.00 0.03 -0.25 0.00 0.00 175.52 175.73 2nlo h ARG 272 N 0.00 0.01 -0.52 4.72 3.08 -1.95 0.27 114.38 119.98 2nlo h ARG 272 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2nlo h ARG 272 Cb 0.81 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2nlo h ARG 272 CO 0.06 0.27 0.30 1.98 -1.07 0.00 0.00 179.97 181.51 2nlo h MET 273 N -0.25 0.72 -0.46 0.04 4.05 -1.75 0.13 114.93 117.40 2nlo h MET 273 Ca 0.00 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 2nlo h MET 273 Cb 0.26 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2nlo h MET 273 CO 0.00 0.54 0.06 0.00 0.23 0.00 0.00 176.91 177.74 2nlo h ALA 274 N 1.14 1.24 -0.00 0.39 0.00 -1.42 0.08 119.26 120.69 2nlo h ALA 274 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2nlo h ALA 274 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2nlo h ALA 274 CO -0.03 0.52 -0.07 0.82 0.00 0.00 0.00 179.25 180.49 2nlo h ILE 275 N 0.69 1.59 -0.01 0.00 2.04 -0.84 -3.31 117.51 117.68 2nlo h ILE 275 Ca 0.15 -1.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.11 2nlo h ILE 275 Cb 0.34 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2nlo h ILE 275 CO 0.01 0.48 -0.36 0.45 0.00 0.00 0.00 178.15 178.73 2nlo h HIS 276 N -0.68 0.02 -0.47 1.37 3.86 -0.76 -0.35 115.15 118.13 2nlo h HIS 276 Ca -0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2nlo h HIS 276 Cb 0.82 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 2nlo h HIS 276 CO 0.19 0.37 0.21 -0.56 0.86 0.00 0.00 177.93 179.00 2nlo h GLN 277 N 0.01 0.66 -0.01 2.45 -0.00 -1.11 -0.16 115.11 116.94 2nlo h GLN 277 Ca -0.00 -0.08 -0.24 0.00 -0.00 0.00 0.00 58.65 58.33 2nlo h GLN 277 Cb 0.64 -0.13 0.02 0.00 -0.00 0.00 0.00 27.48 28.01 2nlo h GLN 277 CO 0.05 0.52 -0.94 0.00 -0.00 0.00 0.00 178.83 178.46 2nlo h ALA 278 N 1.58 0.13 -0.06 0.06 0.00 -1.41 -1.24 119.26 118.31 2nlo h ALA 278 Ca 0.16 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.45 2nlo h ALA 278 Cb 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2nlo h ALA 278 CO -0.02 0.62 -0.25 0.28 0.00 0.00 0.00 179.25 179.88 2nlo h VAL 279 N 0.32 0.42 -0.46 0.00 2.07 -0.81 0.20 116.25 117.98 2nlo h VAL 279 Ca -0.11 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 2nlo h VAL 279 Cb 1.60 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2nlo h VAL 279 CO 0.19 0.00 -0.15 0.44 0.02 0.00 0.00 177.57 178.07 2nlo h ASP 280 N -0.35 0.87 -0.49 0.57 3.32 -1.06 -2.04 116.42 117.22 2nlo h ASP 280 Ca 0.08 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 2nlo h ASP 280 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2nlo h ASP 280 CO -0.26 1.01 0.05 0.00 -1.72 0.00 0.00 179.24 178.33 2nlo h ALA 281 N 1.06 0.66 -0.65 3.45 0.00 -1.03 -1.93 119.26 120.82 2nlo h ALA 281 Ca 0.12 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2nlo h ALA 281 Cb 0.67 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2nlo h ALA 281 CO 0.05 0.42 0.38 0.35 0.00 0.00 0.00 179.25 180.45 2nlo h PHE 282 N 0.70 0.71 -0.49 0.00 3.57 -0.33 0.24 116.94 121.34 2nlo h PHE 282 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2nlo h PHE 282 Cb 0.44 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2nlo h PHE 282 CO 0.03 0.38 0.31 -0.09 -2.23 0.00 0.00 178.31 176.71 2nlo h ARG 283 N 0.73 0.66 -0.62 1.11 2.43 -1.23 -1.54 114.38 115.91 2nlo h ARG 283 Ca 0.28 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2nlo h ARG 283 Cb 0.10 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2nlo h ARG 283 CO -0.14 0.46 0.20 -0.07 -1.51 0.00 0.00 179.97 178.91 2nlo h LEU 284 N 0.66 0.91 -0.75 3.80 3.38 -0.53 0.12 115.31 122.90 2nlo h LEU 284 Ca 0.18 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2nlo h LEU 284 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2nlo h LEU 284 CO -0.04 0.87 -0.14 -0.26 0.09 0.00 0.00 178.44 178.96 2nlo h PHE 285 N 0.89 0.90 0.00 1.13 0.04 -0.36 -3.38 116.94 116.15 2nlo h PHE 285 Ca 0.20 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2nlo h PHE 285 Cb 0.28 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 2nlo h PHE 285 CO 0.02 0.90 -1.18 0.25 -0.60 0.00 0.00 178.31 177.69 2nlo n THR 286 N -4.15 0.06 -0.92 -1.55 -2.24 -0.60 -4.89 114.28 100.00 2nlo n THR 286 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2nlo n THR 286 Cb 0.39 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2nlo n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nlo n GLY 287 N 2.43 0.65 3.88 3.38 0.00 0.40 -5.02 105.19 110.89 2nlo n GLY 287 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2nlo n GLY 287 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nlo s LEU 288 N 0.00 4.13 -0.41 0.99 1.43 -1.26 -5.05 118.68 118.51 2nlo s LEU 288 Ca 0.00 0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 53.79 2nlo s LEU 288 Cb 0.00 -3.70 0.02 0.00 0.03 0.00 0.00 46.19 42.54 2nlo s LEU 288 CO 0.00 -0.11 0.78 -0.70 0.23 0.00 0.00 176.35 176.55 2nlo s GLU 289 N -2.98 3.55 0.50 1.70 2.56 -1.26 -4.16 118.70 118.61 2nlo s GLU 289 Ca 0.47 0.06 -0.21 0.00 0.00 0.00 0.00 54.97 55.30 2nlo s GLU 289 Cb -0.11 -3.88 -0.07 0.00 2.00 0.00 0.00 34.13 32.06 2nlo s GLU 289 CO 0.23 -1.00 1.10 -1.25 -0.56 0.00 0.00 175.26 173.78 2nlo s PRO 290 N 3.20 3.64 -0.49 4.30 0.04 -1.26 -4.98 135.00 139.44 2nlo s PRO 290 Ca 0.30 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 2nlo s PRO 290 Cb -0.13 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.31 2nlo s PRO 290 CO 0.20 -0.60 0.76 0.34 0.04 0.00 0.00 177.00 177.74 2nlo s ASP 291 N -1.76 6.33 0.16 6.66 -1.08 -1.26 -4.94 116.67 120.78 2nlo s ASP 291 Ca 0.68 -0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 52.16 2nlo s ASP 291 Cb -0.22 -2.36 0.06 0.00 -1.46 0.00 0.00 42.92 38.93 2nlo s ASP 291 CO 0.26 -0.97 1.77 0.58 0.52 0.00 0.00 175.17 177.33 2nlo h VAL 292 N 5.95 0.95 -0.82 1.11 2.07 -1.99 -2.30 116.25 121.22 2nlo h VAL 292 Ca -0.26 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2nlo h VAL 292 Cb 1.09 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2nlo h VAL 292 CO 0.98 0.06 0.54 0.77 0.02 0.00 0.00 177.57 179.95 2nlo h SER 293 N 0.36 0.88 -0.39 0.57 4.64 -1.99 0.65 113.55 118.27 2nlo h SER 293 Ca 0.16 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 2nlo h SER 293 Cb 0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2nlo h SER 293 CO -0.13 0.61 -0.02 0.03 -0.87 0.00 0.00 176.83 176.44 2nlo h ARG 294 N 1.02 0.70 -0.34 4.77 3.08 -1.88 -0.78 114.38 120.95 2nlo h ARG 294 Ca 0.32 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 2nlo h ARG 294 Cb 0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2nlo h ARG 294 CO -0.09 0.81 -0.26 0.52 -1.07 0.00 0.00 179.97 179.88 2nlo h MET 295 N 0.52 0.68 -0.40 0.04 2.86 -0.87 -0.91 114.93 116.85 2nlo h MET 295 Ca 0.11 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2nlo h MET 295 Cb 0.51 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2nlo h MET 295 CO 0.02 0.87 0.21 -0.09 1.06 0.00 0.00 176.91 178.98 2nlo h ARG 296 N 0.59 0.57 -0.46 1.72 2.43 -0.84 -0.89 114.38 117.50 2nlo h ARG 296 Ca 0.08 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2nlo h ARG 296 Cb 0.75 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 2nlo h ARG 296 CO 0.06 0.48 0.23 0.93 -1.51 0.00 0.00 179.97 180.16 2nlo h GLU 297 N 0.51 0.45 -0.17 0.20 5.08 -0.77 -1.28 114.58 118.60 2nlo h GLU 297 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2nlo h GLU 297 Cb 0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2nlo h GLU 297 CO -0.02 0.30 0.11 1.15 -1.00 0.00 0.00 179.01 179.55 2nlo h THR 298 N 0.46 1.05 -0.57 1.13 2.02 -1.04 -2.18 112.91 113.78 2nlo h THR 298 Ca 0.20 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.37 2nlo h THR 298 Cb 0.10 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 2nlo h THR 298 CO -0.14 0.04 0.21 0.15 0.37 0.00 0.00 175.52 176.15 2nlo h PHE 299 N 0.22 0.36 0.00 3.16 3.57 -0.71 -1.78 116.94 121.77 2nlo h PHE 299 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2nlo h PHE 299 Cb -0.02 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2nlo h PHE 299 CO -0.07 0.10 0.00 -0.07 -2.23 0.00 0.00 178.31 176.04 2nlo h LEU 300 N 0.39 0.00 -0.00 0.59 3.38 -1.07 -3.17 115.31 115.43 2nlo h LEU 300 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2nlo h LEU 300 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2nlo h LEU 300 CO -0.28 0.00 -0.03 -1.54 0.09 0.00 0.00 178.44 176.67 2nlo n SER 301 N -2.72 0.04 -0.82 -0.43 3.41 -0.67 -5.10 113.62 107.32 2nlo n SER 301 Ca 0.03 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 2nlo n SER 301 Cb 0.38 -0.42 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 2nlo n SER 301 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06