#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gag s PRO 10 N 0.00 2.22 0.28 -0.78 0.02 -1.26 -4.93 135.00 130.56 2gag s PRO 10 Ca 0.00 1.89 0.14 0.00 0.02 0.00 0.00 61.00 63.06 2gag s PRO 10 Cb 0.00 -1.83 0.24 0.00 0.02 0.00 0.00 34.50 32.93 2gag s PRO 10 CO 0.00 -1.81 1.52 -0.07 -0.33 0.00 0.00 177.00 176.32 2gag h LEU 11 N -0.04 0.00 -8.29 -5.54 3.38 -2.13 -3.46 115.31 99.22 2gag h LEU 11 Ca -0.49 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 2gag h LEU 11 Cb 1.31 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.92 2gag h LEU 11 CO 0.50 0.56 -0.54 0.00 0.09 0.00 0.00 178.44 179.05 2gag s ARG 12 N -3.17 0.97 -0.05 1.13 1.70 -1.26 -5.16 118.95 113.12 2gag s ARG 12 Ca 0.02 -1.33 -0.02 0.00 -0.47 0.00 0.00 55.73 53.92 2gag s ARG 12 Cb 0.09 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2gag s ARG 12 CO 0.74 -0.30 0.10 -1.01 -1.08 0.00 0.00 175.30 173.75 2gag s HIS 13 N -4.01 -0.10 0.49 5.89 3.76 -1.26 -5.15 115.29 114.91 2gag s HIS 13 Ca 0.20 0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 55.24 2gag s HIS 13 Cb 0.06 -0.08 -0.08 0.00 1.11 0.00 0.00 32.58 33.59 2gag s HIS 13 CO 0.00 -0.11 1.07 -1.54 -0.85 0.00 0.00 174.74 173.30 2gag s SER 14 N 0.80 6.22 0.53 1.40 1.04 -1.26 -4.93 113.70 117.51 2gag s SER 14 Ca -0.06 2.01 0.34 0.00 0.48 0.00 0.00 55.95 58.72 2gag s SER 14 Cb -0.08 -2.57 1.50 0.00 0.10 0.00 0.00 66.02 64.96 2gag s SER 14 CO -0.03 -0.87 1.83 -0.65 0.98 0.00 0.00 173.24 174.50 2gag h PRO 15 N 1.58 0.03 -0.22 4.02 0.11 -1.97 -1.95 132.00 133.60 2gag h PRO 15 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2gag h PRO 15 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2gag h PRO 15 CO 0.59 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 2gag n ALA 16 N -2.73 2.12 -0.34 -0.75 0.00 -1.26 -4.71 120.51 112.84 2gag n ALA 16 Ca 0.23 -1.11 0.13 0.00 0.00 0.00 0.00 53.44 52.69 2gag n ALA 16 Cb 1.12 -0.28 0.32 0.00 0.00 0.00 0.00 19.45 20.61 2gag n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2gag h GLU 17 N 1.28 0.69 0.00 0.00 4.81 -1.72 0.27 114.58 119.91 2gag h GLU 17 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2gag h GLU 17 Cb 0.66 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2gag h GLU 17 CO 0.00 0.46 0.00 -2.39 -0.73 0.00 0.00 179.01 176.35 2gag n HIS 18 N -4.81 0.00 -0.10 0.92 1.44 -1.26 -2.37 115.22 109.05 2gag n HIS 18 Ca 0.23 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.01 2gag n HIS 18 Cb 0.58 -0.32 0.17 0.00 0.12 0.00 0.00 29.99 30.54 2gag n HIS 18 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2gag n LEU 19 N -1.32 3.01 -0.14 2.39 4.77 0.93 -4.65 117.00 121.99 2gag n LEU 19 Ca 0.08 -1.84 -0.05 0.00 -0.03 0.00 0.00 56.01 54.17 2gag n LEU 19 Cb 0.16 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2gag n LEU 19 CO 0.15 0.73 0.97 0.44 -1.33 0.00 0.00 177.39 178.35 2gag h ASP 20 N 2.58 0.21 -0.37 -1.43 3.32 -1.36 0.77 116.42 120.14 2gag h ASP 20 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2gag h ASP 20 Cb 0.76 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2gag h ASP 20 CO 0.00 0.15 0.24 0.74 -1.72 0.00 0.00 179.24 178.66 2gag h THR 21 N 0.36 1.09 -0.18 0.35 2.02 -1.84 -0.45 112.91 114.25 2gag h THR 21 Ca 0.20 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2gag h THR 21 Cb 0.17 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2gag h THR 21 CO -0.19 0.09 0.09 0.58 0.37 0.00 0.00 175.52 176.46 2gag h VAL 22 N 0.49 1.00 -0.55 3.16 2.07 -1.76 -0.89 116.25 119.77 2gag h VAL 22 Ca 0.13 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2gag h VAL 22 Cb -0.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2gag h VAL 22 CO -0.03 0.04 0.26 0.24 0.02 0.00 0.00 177.57 178.09 2gag h MET 23 N 0.19 0.80 -0.45 1.57 2.07 -0.57 -2.20 114.93 116.35 2gag h MET 23 Ca 0.07 -0.12 -0.01 0.00 -2.07 0.00 0.00 59.70 57.57 2gag h MET 23 Cb 0.01 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.58 2gag h MET 23 CO -0.05 0.66 0.25 0.22 1.07 0.00 0.00 176.91 179.06 2gag h ASP 24 N 0.74 0.56 0.00 1.22 3.58 -0.90 -1.97 116.42 119.66 2gag h ASP 24 Ca 0.19 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 2gag h ASP 24 Cb 0.13 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2gag h ASP 24 CO -0.02 0.48 -0.06 0.00 -2.88 0.00 0.00 179.24 176.75 2gag h ALA 25 N 1.10 1.69 0.00 -0.78 0.00 -0.95 -2.42 119.26 117.90 2gag h ALA 25 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2gag h ALA 25 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2gag h ALA 25 CO -0.03 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 2gag h ALA 26 N 1.78 0.97 -2.88 0.00 0.00 -0.78 -3.46 119.26 114.89 2gag h ALA 26 Ca 0.04 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 2gag h ALA 26 Cb 0.22 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.07 2gag h ALA 26 CO 0.01 0.06 0.64 -1.12 0.00 0.00 0.00 179.25 178.84 2gag s SER 27 N -6.22 6.78 -0.33 0.00 0.01 -0.80 -4.86 113.70 108.29 2gag s SER 27 Ca 0.07 2.68 0.03 0.00 1.31 0.00 0.00 55.95 60.04 2gag s SER 27 Cb 0.05 -2.65 0.09 0.00 0.21 0.00 0.00 66.02 63.73 2gag s SER 27 CO 0.67 -0.53 0.02 -0.69 0.41 0.00 0.00 173.24 173.13 2gag s VAL 28 N -1.13 2.32 0.19 3.43 1.01 0.43 -4.98 120.40 121.68 2gag s VAL 28 Ca 0.49 -2.18 -0.32 0.00 0.00 0.00 0.00 61.98 59.97 2gag s VAL 28 Cb -0.40 -2.64 -0.15 0.00 0.00 0.00 0.00 36.38 33.20 2gag s VAL 28 CO 0.53 -0.48 1.23 0.00 0.00 0.00 0.00 175.10 176.37 2gag n ALA 29 N 4.31 -0.23 0.00 5.51 0.00 -1.26 -1.18 120.51 127.66 2gag n ALA 29 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2gag n ALA 29 Cb 0.42 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2gag n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gag n GLY 30 N 2.03 2.67 0.09 0.00 0.00 -1.26 -4.77 105.19 103.96 2gag n GLY 30 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2gag n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gag n ARG 31 N -0.24 0.04 -3.68 1.61 5.12 -0.32 -4.39 116.66 114.80 2gag n ARG 31 Ca 0.00 0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.84 2gag n ARG 31 Cb 0.00 -0.53 -0.10 0.00 -1.16 0.00 0.00 32.46 30.67 2gag n ARG 31 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gag s VAL 32 N -1.15 -0.24 0.12 1.55 0.11 -0.44 -1.60 120.40 118.76 2gag s VAL 32 Ca -0.02 0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.23 2gag s VAL 32 Cb 0.00 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2gag s VAL 32 CO 0.03 0.05 -0.22 -1.61 -3.33 0.00 0.00 175.10 170.02 2gag s GLU 33 N 1.84 1.22 -0.03 1.54 2.02 0.53 -0.43 118.70 125.39 2gag s GLU 33 Ca -0.07 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 53.70 2gag s GLU 33 Cb -0.09 -1.49 -0.00 0.00 0.10 0.00 0.00 34.13 32.65 2gag s GLU 33 CO -0.13 0.34 -0.13 -1.17 0.02 0.00 0.00 175.26 174.19 2gag s LEU 34 N -2.11 1.85 0.20 1.80 2.96 -1.26 -1.15 118.68 120.97 2gag s LEU 34 Ca 0.10 -0.26 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 2gag s LEU 34 Cb -0.09 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.88 2gag s LEU 34 CO 0.05 0.11 0.46 0.00 -1.32 0.00 0.00 176.35 175.65 2gag s ARG 35 N 0.09 1.38 -0.10 1.98 1.70 -0.74 -4.38 118.95 118.89 2gag s ARG 35 Ca -0.03 -1.04 -0.04 0.00 -0.47 0.00 0.00 55.73 54.16 2gag s ARG 35 Cb -0.09 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2gag s ARG 35 CO 0.01 -0.57 0.06 -2.00 -1.08 0.00 0.00 175.30 171.72 2gag s GLU 36 N -3.93 3.18 -0.38 3.89 2.12 -1.26 0.31 118.70 122.63 2gag s GLU 36 Ca 0.14 -0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.06 2gag s GLU 36 Cb -0.00 -2.97 0.02 0.00 0.26 0.00 0.00 34.13 31.45 2gag s GLU 36 CO 0.01 0.73 0.23 0.42 -0.54 0.00 0.00 175.26 176.11 2gag s ILE 37 N -0.96 4.75 0.10 -3.70 1.01 0.22 -4.91 121.20 117.71 2gag s ILE 37 Ca 0.14 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2gag s ILE 37 Cb -0.12 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2gag s ILE 37 CO 0.03 -0.24 0.47 0.00 0.00 0.00 0.00 174.94 175.20 2gag s ALA 38 N 1.59 3.66 -1.83 9.38 0.00 -1.26 -4.15 121.76 129.15 2gag s ALA 38 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2gag s ALA 38 Cb -0.19 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2gag s ALA 38 CO 0.07 0.51 0.00 1.19 0.00 0.00 0.00 175.76 177.54 2gag n PHE 39 N 0.93 -0.60 -1.02 0.00 3.72 -1.26 -4.88 117.46 114.33 2gag n PHE 39 Ca -0.07 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.02 2gag n PHE 39 Cb 0.52 -3.63 0.14 0.00 -0.94 0.00 0.00 39.48 35.57 2gag n PHE 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2gag s THR 40 N -2.89 2.70 -0.06 4.37 -4.23 -1.26 -3.78 115.64 110.48 2gag s THR 40 Ca 0.00 0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.59 2gag s THR 40 Cb 0.00 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 2gag s THR 40 CO 0.00 -0.30 0.39 -0.89 -0.54 0.00 0.00 174.62 173.29 2gag s THR 41 N -2.80 5.13 -0.10 3.99 2.01 -0.22 -4.79 115.64 118.86 2gag s THR 41 Ca 0.64 0.79 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 2gag s THR 41 Cb -0.20 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.65 2gag s THR 41 CO 0.57 0.49 0.06 -1.10 -0.69 0.00 0.00 174.62 173.96 2gag s GLN 42 N -0.45 0.14 -0.17 4.92 -0.21 -1.26 -2.42 119.66 120.22 2gag s GLN 42 Ca 0.23 0.12 -0.00 0.00 0.02 0.00 0.00 55.36 55.72 2gag s GLN 42 Cb -0.16 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.71 2gag s GLN 42 CO 0.11 -0.46 -0.14 0.42 -2.12 0.00 0.00 175.29 173.09 2gag s ILE 43 N 2.10 2.67 0.14 1.08 -1.09 0.16 -0.73 121.20 125.53 2gag s ILE 43 Ca 0.04 -0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 57.44 2gag s ILE 43 Cb -0.14 -2.14 -0.07 0.00 -1.58 0.00 0.00 42.46 38.53 2gag s ILE 43 CO -0.06 0.51 0.81 -0.55 -1.23 0.00 0.00 174.94 174.42 2gag s SER 44 N 0.98 7.38 -0.05 3.58 0.15 0.73 -0.86 113.70 125.62 2gag s SER 44 Ca -0.02 1.64 0.03 0.00 0.70 0.00 0.00 55.95 58.31 2gag s SER 44 Cb -0.15 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2gag s SER 44 CO -0.03 0.13 -0.15 -0.76 1.20 0.00 0.00 173.24 173.64 2gag s LEU 45 N -0.77 1.82 -0.13 3.45 1.43 -0.20 -1.38 118.68 122.90 2gag s LEU 45 Ca 0.38 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2gag s LEU 45 Cb -0.23 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2gag s LEU 45 CO 0.26 0.10 -0.13 -0.13 0.23 0.00 0.00 176.35 176.69 2gag s ARG 46 N 0.26 2.14 -0.29 1.70 1.81 0.31 -0.84 118.95 124.03 2gag s ARG 46 Ca -0.07 -0.50 -0.16 0.00 -1.72 0.00 0.00 55.73 53.28 2gag s ARG 46 Cb -0.12 -1.96 0.16 0.00 -0.45 0.00 0.00 34.95 32.57 2gag s ARG 46 CO 0.03 -0.21 1.04 0.00 -0.68 0.00 0.00 175.30 175.48 2gag s ALA 48 N 1.28 3.34 0.33 0.00 0.00 -1.26 -4.44 121.76 121.01 2gag s ALA 48 Ca -0.09 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 2gag s ALA 48 Cb -0.03 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 2gag s ALA 48 CO -0.14 0.13 1.27 -2.30 0.00 0.00 0.00 175.76 174.72 2gag n PRO 49 N 1.59 2.03 -0.05 0.00 -0.02 -1.26 -2.25 135.00 135.04 2gag n PRO 49 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2gag n PRO 49 Cb 0.47 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2gag n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gag n GLY 50 N 0.95 1.39 3.95 -1.23 0.00 -1.26 -5.05 105.19 103.94 2gag n GLY 50 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2gag n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gag s THR 51 N -2.54 3.75 0.19 2.61 -4.23 -0.95 -4.99 115.64 109.48 2gag s THR 51 Ca 0.00 -0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 2gag s THR 51 Cb 0.00 -3.41 0.10 0.00 1.34 0.00 0.00 72.50 70.53 2gag s THR 51 CO 0.00 -0.31 1.71 1.56 -0.54 0.00 0.00 174.62 177.03 2gag h GLN 52 N 0.25 1.08 -0.42 3.99 4.20 -1.97 -2.55 115.11 119.69 2gag h GLN 52 Ca -0.45 -0.26 0.06 0.00 0.06 0.00 0.00 58.65 58.06 2gag h GLN 52 Cb 1.26 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.85 2gag h GLN 52 CO 0.57 0.96 0.13 0.00 -0.67 0.00 0.00 178.83 179.81 2gag h ALA 53 N 1.07 0.48 -0.39 3.87 0.00 -1.91 -0.90 119.26 121.48 2gag h ALA 53 Ca 0.21 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2gag h ALA 53 Cb 0.36 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2gag h ALA 53 CO 0.00 -0.27 0.24 1.25 0.00 0.00 0.00 179.25 180.47 2gag h HIS 54 N 0.28 0.44 -0.41 0.00 -0.00 -1.70 0.09 115.15 113.84 2gag h HIS 54 Ca 0.20 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 2gag h HIS 54 Cb 0.21 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2gag h HIS 54 CO -0.17 0.26 0.01 0.00 -0.00 0.00 0.00 177.93 178.04 2gag h ALA 55 N 1.17 0.55 -0.72 5.26 0.00 -1.12 0.10 119.26 124.50 2gag h ALA 55 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gag h ALA 55 Cb -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2gag h ALA 55 CO -0.07 0.32 0.45 0.00 0.00 0.00 0.00 179.25 179.95 2gag h ALA 56 N 0.90 0.92 -0.41 0.00 0.00 -0.96 -1.74 119.26 117.97 2gag h ALA 56 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2gag h ALA 56 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gag h ALA 56 CO 0.02 0.38 -0.20 -0.07 0.00 0.00 0.00 179.25 179.38 2gag h LEU 57 N 0.98 0.88 -1.11 0.00 3.38 -0.74 -1.93 115.31 116.77 2gag h LEU 57 Ca 0.26 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2gag h LEU 57 Cb -0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 2gag h LEU 57 CO -0.05 1.09 0.60 0.00 0.09 0.00 0.00 178.44 180.17 2gag h ALA 58 N 0.82 1.39 -0.29 1.53 0.00 -0.49 -2.00 119.26 120.21 2gag h ALA 58 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2gag h ALA 58 Cb 0.75 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2gag h ALA 58 CO 0.06 0.54 -0.39 0.00 0.00 0.00 0.00 179.25 179.46 2gag h ALA 59 N 1.45 0.77 0.00 0.00 0.00 -1.16 -2.25 119.26 118.06 2gag h ALA 59 Ca 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gag h ALA 59 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2gag h ALA 59 CO -0.09 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2gag h ALA 60 N 1.00 1.00 0.00 0.00 0.00 -0.63 -3.11 119.26 117.52 2gag h ALA 60 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2gag h ALA 60 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2gag h ALA 60 CO 0.08 0.00 -0.29 1.79 0.00 0.00 0.00 179.25 180.84 2gag h THR 61 N 0.00 0.50 0.00 0.00 1.35 -1.50 -3.46 112.91 109.80 2gag h THR 61 Ca 0.00 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 2gag h THR 61 Cb 0.72 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2gag h THR 61 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2gag n GLY 62 N 1.10 1.96 0.00 5.82 0.00 -1.18 -4.76 105.19 108.13 2gag n GLY 62 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2gag n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gag n ALA 63 N -0.39 1.94 -0.06 4.61 0.00 -1.26 -5.04 120.51 120.31 2gag n ALA 63 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2gag n ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gag n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gag n GLY 64 N -0.03 -1.63 3.12 0.00 0.00 -0.85 -4.20 105.19 101.60 2gag n GLY 64 Ca 0.00 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 2gag n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gag s LEU 65 N 0.00 2.12 0.54 0.99 1.43 -1.26 -4.77 118.68 117.73 2gag s LEU 65 Ca 0.00 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 2gag s LEU 65 Cb 0.00 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 2gag s LEU 65 CO 0.00 0.06 1.23 -2.16 0.23 0.00 0.00 176.35 175.71 2gag s PRO 66 N -0.86 3.24 0.00 1.29 0.04 -1.26 -4.88 135.00 132.56 2gag s PRO 66 Ca 0.02 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.17 2gag s PRO 66 Cb -0.07 -2.14 -0.16 0.00 0.04 0.00 0.00 34.50 32.17 2gag s PRO 66 CO 0.01 -1.01 0.91 0.00 0.04 0.00 0.00 177.00 176.94 2gag n ALA 67 N -1.15 4.32 -3.55 8.56 0.00 -1.26 -4.99 120.51 122.44 2gag n ALA 67 Ca 0.11 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 2gag n ALA 67 Cb 0.48 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 2gag n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2gag s LYS 68 N -2.76 1.54 0.27 0.00 -2.85 -1.26 -5.08 119.74 109.60 2gag s LYS 68 Ca 0.10 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 2gag s LYS 68 Cb 0.16 0.57 -0.14 0.00 -2.06 0.00 0.00 37.83 36.36 2gag s LYS 68 CO 0.75 -0.68 1.20 1.55 0.10 0.00 0.00 175.35 178.27 2gag n VAL 69 N -0.40 1.54 0.00 1.79 3.14 -1.26 -2.10 118.33 121.04 2gag n VAL 69 Ca -0.08 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 2gag n VAL 69 Cb 0.62 -1.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 2gag n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2gag n GLY 70 N 1.50 2.94 3.76 7.55 0.00 -1.24 -5.02 105.19 114.68 2gag n GLY 70 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2gag n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gag s GLU 71 N -0.19 4.67 -0.11 1.61 2.12 -0.89 -1.33 118.70 124.58 2gag s GLU 71 Ca 0.00 1.75 0.04 0.00 0.36 0.00 0.00 54.97 57.12 2gag s GLU 71 Cb 0.00 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2gag s GLU 71 CO 0.00 0.25 -0.23 0.08 -0.54 0.00 0.00 175.26 174.81 2gag s VAL 72 N -1.10 2.04 -0.04 3.70 1.01 -1.25 -3.74 120.40 121.02 2gag s VAL 72 Ca 0.44 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2gag s VAL 72 Cb -0.31 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2gag s VAL 72 CO 0.39 0.55 0.55 0.00 0.00 0.00 0.00 175.10 176.60 2gag s ALA 73 N 0.46 3.49 0.00 5.51 0.00 -0.58 -4.89 121.76 125.75 2gag s ALA 73 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2gag s ALA 73 Cb -0.17 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2gag s ALA 73 CO 0.06 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.37 2gag n GLY 74 N 2.64 -1.87 3.18 0.00 0.00 -1.26 -0.40 105.19 107.49 2gag n GLY 74 Ca -0.07 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 2gag n GLY 74 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gag s GLU 75 N 0.00 0.81 0.26 1.61 1.03 -1.17 -4.85 118.70 116.39 2gag s GLU 75 Ca 0.00 -1.05 -0.01 0.00 0.03 0.00 0.00 54.97 53.94 2gag s GLU 75 Cb 0.00 0.31 0.53 0.00 -0.80 0.00 0.00 34.13 34.17 2gag s GLU 75 CO 0.00 -0.24 1.76 0.00 -1.33 0.00 0.00 175.26 175.45 2gag h ALA 76 N 2.84 1.27 -0.09 -0.84 0.00 -1.88 -1.46 119.26 119.10 2gag h ALA 76 Ca -0.34 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2gag h ALA 76 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2gag h ALA 76 CO 0.58 -0.10 0.21 0.37 0.00 0.00 0.00 179.25 180.31 2gag h GLN 77 N 0.61 0.00 0.00 0.00 4.15 -1.97 -3.43 115.11 114.47 2gag h GLN 77 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 2gag h GLN 77 Cb 0.66 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2gag h GLN 77 CO -0.37 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 176.94 2gag n GLY 78 N -1.26 3.22 3.74 2.39 0.00 -0.55 -4.94 105.19 107.79 2gag n GLY 78 Ca -0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2gag n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gag s THR 79 N 3.71 5.39 0.11 2.61 2.01 -1.24 -4.37 115.64 123.86 2gag s THR 79 Ca 0.00 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.35 2gag s THR 79 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2gag s THR 79 CO 0.00 0.45 -0.16 0.00 -0.69 0.00 0.00 174.62 174.22 2gag s ALA 80 N 0.24 1.54 -0.10 7.40 0.00 -0.01 -3.05 121.76 127.78 2gag s ALA 80 Ca 0.11 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 2gag s ALA 80 Cb -0.12 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2gag s ALA 80 CO 0.00 0.17 -0.06 0.08 0.00 0.00 0.00 175.76 175.95 2gag s VAL 81 N -1.81 0.85 0.27 0.00 1.01 0.47 0.08 120.40 121.27 2gag s VAL 81 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2gag s VAL 81 Cb -0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 2gag s VAL 81 CO 0.03 0.33 0.58 -0.76 0.00 0.00 0.00 175.10 175.29 2gag s LEU 82 N 1.68 4.09 -0.21 3.92 1.02 -0.38 -1.52 118.68 127.28 2gag s LEU 82 Ca 0.03 0.88 -0.08 0.00 0.02 0.00 0.00 54.13 54.98 2gag s LEU 82 Cb -0.13 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.37 2gag s LEU 82 CO -0.06 -0.15 0.08 0.86 0.02 0.00 0.00 176.35 177.09 2gag s TRP 83 N -1.97 3.23 -0.06 0.29 -0.00 -1.25 -1.71 118.94 117.47 2gag s TRP 83 Ca 0.47 0.00 0.04 0.00 -0.00 0.00 0.00 56.10 56.62 2gag s TRP 83 Cb -0.11 -2.14 -0.07 0.00 -0.00 0.00 0.00 33.47 31.15 2gag s TRP 83 CO 0.25 0.04 0.01 1.28 -0.00 0.00 0.00 176.95 178.53 2gag n LEU 84 N 3.94 0.37 -3.88 5.86 4.32 -0.12 -4.66 117.00 122.83 2gag n LEU 84 Ca -0.16 -0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.74 2gag n LEU 84 Cb 0.52 0.09 -0.01 0.00 -1.62 0.00 0.00 43.42 42.40 2gag n LEU 84 CO 0.34 0.20 0.42 0.00 -1.22 0.00 0.00 177.39 177.13 2gag s ALA 85 N -2.14 -0.78 0.54 -1.18 0.00 -0.96 -4.93 121.76 112.31 2gag s ALA 85 Ca -0.04 -0.62 0.23 0.00 0.00 0.00 0.00 51.96 51.54 2gag s ALA 85 Cb 0.02 0.86 1.40 0.00 0.00 0.00 0.00 23.12 25.40 2gag s ALA 85 CO 0.22 -0.98 2.06 -1.35 0.00 0.00 0.00 175.76 175.72 2gag h PRO 86 N 2.05 0.00 0.00 0.00 0.11 -1.98 -2.51 132.00 129.67 2gag h PRO 86 Ca -0.25 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 2gag h PRO 86 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 2gag h PRO 86 CO 0.31 0.00 -0.45 -0.40 -0.21 0.00 0.00 178.00 177.25 2gag n ASP 87 N -4.33 1.60 -3.87 -2.05 5.75 -1.26 -4.27 116.55 108.12 2gag n ASP 87 Ca 0.05 -3.17 -0.21 0.00 -0.01 0.00 0.00 54.79 51.44 2gag n ASP 87 Cb 0.40 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 39.90 2gag n ASP 87 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2gag s GLU 88 N -2.28 0.83 0.16 0.11 2.12 -0.95 -2.14 118.70 116.56 2gag s GLU 88 Ca 0.32 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.58 2gag s GLU 88 Cb 0.31 -0.92 -0.04 0.00 0.26 0.00 0.00 34.13 33.74 2gag s GLU 88 CO -0.05 -0.14 0.04 -0.06 -0.54 0.00 0.00 175.26 174.51 2gag s PHE 89 N 1.19 1.05 -0.23 5.30 0.08 -0.02 -0.94 117.98 124.40 2gag s PHE 89 Ca -0.07 -1.17 -0.03 0.00 0.12 0.00 0.00 56.93 55.79 2gag s PHE 89 Cb -0.14 -0.59 0.07 0.00 -0.57 0.00 0.00 43.02 41.80 2gag s PHE 89 CO -0.01 -0.41 0.07 -1.17 -0.10 0.00 0.00 175.22 173.60 2gag s LEU 90 N -3.12 1.16 0.18 -0.37 2.96 -0.69 -1.04 118.68 117.76 2gag s LEU 90 Ca 0.26 -1.01 -0.25 0.00 -0.22 0.00 0.00 54.13 52.90 2gag s LEU 90 Cb 0.07 -0.56 -0.08 0.00 0.50 0.00 0.00 46.19 46.12 2gag s LEU 90 CO 0.04 -0.35 0.79 0.00 -1.32 0.00 0.00 176.35 175.51 2gag s ALA 91 N 1.89 3.43 0.00 5.97 0.00 -0.04 -1.26 121.76 131.76 2gag s ALA 91 Ca 0.03 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 2gag s ALA 91 Cb -0.17 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.01 2gag s ALA 91 CO -0.16 0.29 0.39 -0.08 0.00 0.00 0.00 175.76 176.20 2gag s THR 92 N -1.20 0.05 0.20 0.00 -1.32 0.11 -0.66 115.64 112.82 2gag s THR 92 Ca 0.37 -0.42 -0.23 0.00 -1.21 0.00 0.00 61.69 60.20 2gag s THR 92 Cb -0.23 -0.80 0.06 0.00 -1.51 0.00 0.00 72.50 70.02 2gag s THR 92 CO 0.26 -0.23 0.91 -0.94 -2.21 0.00 0.00 174.62 172.41 2gag s SER 93 N -1.57 -0.15 0.80 8.08 1.04 -1.01 -0.83 113.70 120.06 2gag s SER 93 Ca -0.10 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 2gag s SER 93 Cb -0.03 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.73 2gag s SER 93 CO 0.03 -1.07 1.10 0.00 0.98 0.00 0.00 173.24 174.27 2gag n ALA 94 N -0.51 -0.26 -1.49 5.32 0.00 -1.26 -1.06 120.51 121.25 2gag n ALA 94 Ca -0.05 -0.32 -0.58 0.00 0.00 0.00 0.00 53.44 52.48 2gag n ALA 94 Cb 0.60 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 17.78 2gag n ALA 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2gag n GLU 95 N -2.89 0.00 -3.44 0.00 2.13 -1.25 -4.37 120.64 110.82 2gag n GLU 95 Ca 0.13 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.73 2gag n GLU 95 Cb 0.50 -1.29 -0.11 0.00 0.27 0.00 0.00 31.44 30.81 2gag n GLU 95 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2gag s ASN 96 N 2.47 2.30 0.63 4.31 3.84 -1.26 -4.94 114.94 122.28 2gag s ASN 96 Ca 0.90 -1.07 0.34 0.00 0.21 0.00 0.00 52.86 53.24 2gag s ASN 96 Cb -1.28 0.19 1.91 0.00 -0.55 0.00 0.00 41.25 41.52 2gag s ASN 96 CO 0.70 -0.39 2.18 0.74 -2.79 0.00 0.00 177.10 177.53 2gag h THR 97 N 6.15 0.27 0.00 -5.21 2.02 -2.00 -2.94 112.91 111.20 2gag h THR 97 Ca -0.13 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.84 2gag h THR 97 Cb 1.05 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 2gag h THR 97 CO 0.35 0.00 -1.54 -1.84 0.37 0.00 0.00 175.52 172.86 2gag n GLU 98 N -3.45 0.63 -0.30 6.66 0.28 -1.26 -4.44 120.64 118.76 2gag n GLU 98 Ca -0.01 0.24 0.04 0.00 -0.16 0.00 0.00 57.16 57.27 2gag n GLU 98 Cb 0.22 -1.80 0.11 0.00 1.43 0.00 0.00 31.44 31.41 2gag n GLU 98 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2gag h LEU 99 N 0.00 -0.79 -0.06 -1.84 5.85 -1.95 -0.65 115.31 115.86 2gag h LEU 99 Ca -0.21 0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2gag h LEU 99 Cb 1.74 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 43.26 2gag h LEU 99 CO 0.06 -0.28 -0.21 1.23 -0.34 0.00 0.00 178.44 178.90 2gag h GLY 100 N 0.00 -0.24 1.42 3.75 0.00 -1.78 -0.54 103.07 105.67 2gag h GLY 100 Ca 0.41 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 2gag h GLY 100 CO -0.88 -0.18 0.18 -1.33 0.00 0.00 0.00 176.54 174.33 2gag h GLY 101 N -0.30 0.80 1.03 4.60 0.00 -1.46 -1.03 103.07 106.71 2gag h GLY 101 Ca 0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2gag h GLY 101 CO -0.24 0.39 0.14 -2.08 0.00 0.00 0.00 176.54 174.75 2gag h VAL 102 N 0.73 1.26 -0.20 4.60 2.07 -0.56 -0.87 116.25 123.28 2gag h VAL 102 Ca 0.17 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.57 2gag h VAL 102 Cb 0.18 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2gag h VAL 102 CO -0.01 0.35 -0.57 -0.07 0.02 0.00 0.00 177.57 177.29 2gag h LEU 103 N 0.92 0.85 -1.35 2.57 3.38 -0.73 -1.98 115.31 118.98 2gag h LEU 103 Ca 0.19 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2gag h LEU 103 Cb 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2gag h LEU 103 CO 0.00 1.28 -0.33 0.77 0.09 0.00 0.00 178.44 180.26 2gag h SER 104 N 0.46 0.00 -0.38 -0.43 4.64 -1.08 -1.46 113.55 115.30 2gag h SER 104 Ca -0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 2gag h SER 104 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2gag h SER 104 CO 0.12 0.33 -0.30 0.00 -0.87 0.00 0.00 176.83 176.11 2gag h ALA 105 N 1.67 0.55 -0.29 5.18 0.00 -1.06 -1.93 119.26 123.38 2gag h ALA 105 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2gag h ALA 105 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2gag h ALA 105 CO 0.04 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.89 2gag h ALA 106 N 0.78 1.49 -0.32 0.00 0.00 -0.65 -2.01 119.26 118.55 2gag h ALA 106 Ca 0.07 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2gag h ALA 106 Cb 0.88 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2gag h ALA 106 CO 0.08 0.37 -0.42 1.25 0.00 0.00 0.00 179.25 180.53 2gag h LEU 107 N 0.42 0.85 0.00 0.00 5.85 -1.12 -3.42 115.31 117.88 2gag h LEU 107 Ca 0.10 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2gag h LEU 107 Cb 0.26 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2gag h LEU 107 CO 0.01 1.15 0.00 0.61 -0.34 0.00 0.00 178.44 179.87 2gag n GLY 108 N 0.12 3.12 1.71 3.75 0.00 -0.74 -1.87 105.19 111.27 2gag n GLY 108 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 2gag n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gag n ASP 109 N 2.70 4.26 -4.87 1.61 5.75 -1.26 -4.97 116.55 119.77 2gag n ASP 109 Ca 0.00 -3.30 -0.30 0.00 -0.01 0.00 0.00 54.79 51.17 2gag n ASP 109 Cb 0.00 -0.70 -0.00 0.00 -1.03 0.00 0.00 41.12 39.39 2gag n ASP 109 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gag s ALA 110 N -3.03 3.17 0.53 2.12 0.00 -0.78 -5.02 121.76 118.75 2gag s ALA 110 Ca 0.52 -0.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 2gag s ALA 110 Cb 0.42 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 2gag s ALA 110 CO 0.11 -0.52 1.30 -2.14 0.00 0.00 0.00 175.76 174.50 2gag s PRO 111 N -4.86 3.26 0.00 0.00 0.02 -1.26 -4.84 135.00 127.31 2gag s PRO 111 Ca 0.54 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2gag s PRO 111 Cb -0.11 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.16 2gag s PRO 111 CO 0.48 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 2gag n GLY 112 N 0.64 0.86 3.60 0.52 0.00 -1.26 -4.81 105.19 104.74 2gag n GLY 112 Ca 0.10 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2gag n GLY 112 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gag s GLN 113 N -1.43 0.67 -0.08 1.61 0.74 -0.53 -4.95 119.66 115.69 2gag s GLN 113 Ca 0.00 0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.85 2gag s GLN 113 Cb 0.00 0.32 0.02 0.00 1.10 0.00 0.00 33.01 34.45 2gag s GLN 113 CO 0.00 -0.15 -0.07 0.08 -0.55 0.00 0.00 175.29 174.60 2gag s VAL 114 N -0.45 0.87 -0.02 1.34 1.01 -1.26 -0.53 120.40 121.36 2gag s VAL 114 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2gag s VAL 114 Cb -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.50 2gag s VAL 114 CO 0.00 0.32 0.02 -0.69 0.00 0.00 0.00 175.10 174.76 2gag s VAL 115 N 1.36 -0.01 -0.26 2.92 1.01 -0.48 -4.96 120.40 120.00 2gag s VAL 115 Ca -0.02 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2gag s VAL 115 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2gag s VAL 115 CO -0.04 0.11 1.33 -0.62 0.00 0.00 0.00 175.10 175.88 2gag s ASP 116 N 1.12 6.70 -0.25 3.32 -1.08 -1.26 -0.19 116.67 125.03 2gag s ASP 116 Ca -0.09 1.38 0.10 0.00 -0.52 0.00 0.00 52.55 53.42 2gag s ASP 116 Cb -0.13 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.24 2gag s ASP 116 CO -0.03 -1.02 1.20 0.18 0.52 0.00 0.00 175.17 176.02 2gag n LEU 117 N 7.47 3.82 0.27 -1.34 4.77 0.09 -4.84 117.00 127.25 2gag n LEU 117 Ca 0.15 -4.28 0.13 0.00 -0.03 0.00 0.00 56.01 51.99 2gag n LEU 117 Cb 0.46 -0.38 0.83 0.00 -2.33 0.00 0.00 43.42 42.00 2gag n LEU 117 CO 0.61 1.75 1.11 0.28 -1.33 0.00 0.00 177.39 179.82 2gag h SER 118 N 1.69 0.00 0.01 -1.43 0.02 -1.77 -1.32 113.55 110.75 2gag h SER 118 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2gag h SER 118 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2gag h SER 118 CO 0.42 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.70 2gag n ALA 119 N -2.39 3.41 0.03 3.77 0.00 -1.26 -4.45 120.51 119.62 2gag n ALA 119 Ca -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 2gag n ALA 119 Cb 0.11 -0.84 0.18 0.00 0.00 0.00 0.00 19.45 18.91 2gag n ALA 119 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2gag h ASN 120 N 2.49 0.46 -4.50 0.00 -1.24 -1.61 -3.42 115.58 107.77 2gag h ASN 120 Ca 0.00 -0.18 -0.39 0.00 0.71 0.00 0.00 56.30 56.44 2gag h ASN 120 Cb 0.75 -0.13 -0.21 0.00 0.73 0.00 0.00 38.32 39.46 2gag h ASN 120 CO 0.00 0.76 -0.77 -0.13 -1.29 0.00 0.00 177.43 176.00 2gag s ARG 121 N -4.36 0.79 0.47 6.67 0.52 -1.26 -0.95 118.95 120.84 2gag s ARG 121 Ca -0.06 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 54.22 2gag s ARG 121 Cb 0.13 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.86 2gag s ARG 121 CO 0.79 0.16 0.67 -1.54 0.02 0.00 0.00 175.30 175.41 2gag s SER 122 N -1.77 5.61 -0.18 0.23 1.04 -0.80 -4.72 113.70 113.10 2gag s SER 122 Ca -0.02 0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 2gag s SER 122 Cb -0.10 -1.13 0.05 0.00 0.10 0.00 0.00 66.02 64.94 2gag s SER 122 CO 0.02 -0.85 -0.05 -0.69 0.98 0.00 0.00 173.24 172.65 2gag s VAL 123 N -2.56 1.16 -0.21 5.02 1.01 -1.26 -3.96 120.40 119.61 2gag s VAL 123 Ca 0.52 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2gag s VAL 123 Cb -0.10 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2gag s VAL 123 CO 0.37 0.06 -0.05 -0.76 0.00 0.00 0.00 175.10 174.72 2gag s LEU 124 N 1.60 2.89 -0.21 3.92 1.43 -0.49 -0.61 118.68 127.20 2gag s LEU 124 Ca -0.01 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2gag s LEU 124 Cb -0.16 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2gag s LEU 124 CO -0.07 0.00 0.12 -0.70 0.23 0.00 0.00 176.35 175.93 2gag s GLU 125 N 1.33 4.06 -0.20 1.70 2.12 0.15 -0.56 118.70 127.31 2gag s GLU 125 Ca 0.04 -0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 2gag s GLU 125 Cb -0.14 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 2gag s GLU 125 CO -0.02 0.17 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.61 2gag s LEU 126 N 0.71 2.70 0.13 2.70 2.96 0.11 -1.79 118.68 126.21 2gag s LEU 126 Ca 0.07 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 2gag s LEU 126 Cb -0.13 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2gag s LEU 126 CO 0.01 0.01 -0.18 0.42 -1.32 0.00 0.00 176.35 175.30 2gag s THR 127 N 1.26 1.64 0.00 3.68 -4.23 -0.30 0.00 115.64 117.70 2gag s THR 127 Ca 0.03 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2gag s THR 127 Cb -0.14 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2gag s THR 127 CO -0.04 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 2gag n GLY 128 N 0.61 3.27 0.27 3.99 0.00 0.04 -0.35 105.19 113.02 2gag n GLY 128 Ca -0.16 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.01 2gag n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gag h PRO 129 N 0.00 0.00 -0.09 1.61 0.13 -1.68 -2.11 132.00 129.86 2gag h PRO 129 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2gag h PRO 129 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2gag h PRO 129 CO 0.00 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 177.58 2gag n ASP 130 N -3.97 1.47 -0.25 1.44 8.00 -0.62 -4.33 116.55 118.29 2gag n ASP 130 Ca -0.03 -1.58 -0.01 0.00 0.71 0.00 0.00 54.79 53.88 2gag n ASP 130 Cb 0.15 -0.05 0.11 0.00 -0.02 0.00 0.00 41.12 41.30 2gag n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gag h ALA 131 N 4.16 0.96 -0.02 2.24 0.00 -1.55 -1.83 119.26 123.22 2gag h ALA 131 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2gag h ALA 131 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2gag h ALA 131 CO 0.00 0.10 -0.23 -1.35 0.00 0.00 0.00 179.25 177.76 2gag h PRO 132 N 0.75 0.03 0.00 0.00 0.11 -1.81 -0.69 132.00 130.38 2gag h PRO 132 Ca 0.32 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 2gag h PRO 132 Cb 0.19 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2gag h PRO 132 CO -0.18 0.26 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.52 2gag h LEU 133 N 0.03 0.00 0.00 2.35 3.38 -1.64 -1.25 115.31 118.18 2gag h LEU 133 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gag h LEU 133 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2gag h LEU 133 CO 0.03 0.28 -0.00 0.58 0.09 0.00 0.00 178.44 179.42 2gag h VAL 134 N 0.00 1.72 -0.33 1.22 2.07 -0.54 -3.37 116.25 117.03 2gag h VAL 134 Ca -0.00 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.31 2gag h VAL 134 Cb 0.88 3.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 2gag h VAL 134 CO 0.04 0.56 0.05 -0.07 0.02 0.00 0.00 177.57 178.16 2gag h LEU 135 N -0.93 0.45 0.00 2.57 3.38 -1.07 -2.34 115.31 117.37 2gag h LEU 135 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2gag h LEU 135 Cb 0.92 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2gag h LEU 135 CO 0.00 0.48 0.00 -2.11 0.09 0.00 0.00 178.44 176.90 2gag n ARG 136 N -4.33 0.03 0.00 1.13 1.85 -0.48 -0.84 116.66 114.02 2gag n ARG 136 Ca 0.02 0.29 0.14 0.00 -1.00 0.00 0.00 57.85 57.29 2gag n ARG 136 Cb 0.20 -1.50 0.83 0.00 -1.05 0.00 0.00 32.46 30.94 2gag n ARG 136 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2gag n LYS 137 N -1.46 0.85 0.00 2.89 5.02 -0.88 -4.14 118.16 120.44 2gag n LYS 137 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2gag n LYS 137 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2gag n LYS 137 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2gag n SER 138 N -1.01 0.00 -4.69 4.39 3.41 -0.98 -5.01 113.62 109.72 2gag n SER 138 Ca 0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 2gag n SER 138 Cb 0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 2gag n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gag n PRO 140 N 4.53 0.03 -1.60 0.00 -0.04 -1.26 -4.72 135.00 131.93 2gag n PRO 140 Ca 0.02 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 2gag n PRO 140 Cb 0.50 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2gag n PRO 140 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gag s ALA 141 N -3.01 2.51 -0.46 0.55 0.00 -1.26 -4.97 121.76 115.12 2gag s ALA 141 Ca 0.13 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 2gag s ALA 141 Cb 0.18 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.08 2gag s ALA 141 CO 0.56 -1.33 1.00 0.34 0.00 0.00 0.00 175.76 176.34 2gag s ASP 142 N -3.20 6.56 0.00 0.00 -1.08 -1.26 -4.88 116.67 112.82 2gag s ASP 142 Ca 0.62 0.28 0.22 0.00 -0.52 0.00 0.00 52.55 53.16 2gag s ASP 142 Cb -0.17 -2.49 0.55 0.00 -1.46 0.00 0.00 42.92 39.36 2gag s ASP 142 CO 0.49 -1.11 1.47 0.18 0.52 0.00 0.00 175.17 176.72 2gag n LEU 143 N 7.38 3.53 -4.76 -1.34 4.77 -1.26 -4.18 117.00 121.15 2gag n LEU 143 Ca 0.08 -1.67 -0.39 0.00 -0.03 0.00 0.00 56.01 54.00 2gag n LEU 143 Cb 0.49 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2gag n LEU 143 CO 0.66 0.84 0.98 -2.28 -1.33 0.00 0.00 177.39 176.26 2gag s HIS 144 N -1.25 2.47 0.50 -1.77 2.46 -1.26 -4.62 115.29 111.82 2gag s HIS 144 Ca 0.43 1.38 0.25 0.00 0.47 0.00 0.00 55.06 57.59 2gag s HIS 144 Cb 0.23 -3.75 1.33 0.00 -0.13 0.00 0.00 32.58 30.27 2gag s HIS 144 CO 0.31 -2.60 1.91 -1.35 -2.47 0.00 0.00 174.74 170.54 2gag h PRO 145 N 1.88 0.12 0.00 2.88 0.11 -1.94 0.38 132.00 135.44 2gag h PRO 145 Ca -0.50 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2gag h PRO 145 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2gag h PRO 145 CO 0.59 0.08 -0.26 0.00 -0.21 0.00 0.00 178.00 178.20 2gag h ARG 146 N 0.13 0.00 0.00 1.05 3.08 -1.97 -3.32 114.38 113.34 2gag h ARG 146 Ca 0.39 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.33 2gag h ARG 146 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 2gag h ARG 146 CO -0.05 0.26 -1.78 0.00 -1.07 0.00 0.00 179.97 177.33 2gag n ALA 147 N -2.24 2.17 -3.79 0.04 0.00 0.36 -4.87 120.51 112.18 2gag n ALA 147 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 2gag n ALA 147 Cb 0.46 -0.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 2gag n ALA 147 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2gag s PHE 148 N -2.72 2.36 0.71 0.00 5.99 0.11 -4.95 117.98 119.48 2gag s PHE 148 Ca -0.06 -2.57 -0.11 0.00 0.00 0.00 0.00 56.93 54.19 2gag s PHE 148 Cb 0.07 -2.16 0.02 0.00 0.00 0.00 0.00 43.02 40.95 2gag s PHE 148 CO 0.58 -0.79 1.07 0.00 -0.00 0.00 0.00 175.22 176.08 2gag s ALA 149 N 0.37 2.57 0.30 11.12 0.00 -1.26 -4.56 121.76 130.30 2gag s ALA 149 Ca 0.16 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 2gag s ALA 149 Cb -0.24 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 2gag s ALA 149 CO -0.03 -1.36 1.59 0.08 0.00 0.00 0.00 175.76 176.05 2gag s VAL 150 N -2.98 2.05 -0.54 0.00 1.01 -1.26 -2.37 120.40 116.32 2gag s VAL 150 Ca 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 2gag s VAL 150 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2gag s VAL 150 CO 0.54 0.01 0.26 -3.20 0.00 0.00 0.00 175.10 172.71 2gag n ASN 151 N 2.07 -3.25 -4.53 3.32 5.15 0.24 -5.03 115.26 113.23 2gag n ASN 151 Ca 0.08 -0.12 -0.29 0.00 -0.60 0.00 0.00 54.58 53.65 2gag n ASN 151 Cb 0.37 -2.08 -0.11 0.00 -0.53 0.00 0.00 39.78 37.43 2gag n ASN 151 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2gag s GLN 152 N -5.05 1.94 -0.13 1.20 -1.52 -1.00 -3.84 119.66 111.25 2gag s GLN 152 Ca 0.13 -1.14 -0.15 0.00 -1.95 0.00 0.00 55.36 52.25 2gag s GLN 152 Cb -0.06 -2.18 0.04 0.00 -0.22 0.00 0.00 33.01 30.59 2gag s GLN 152 CO 0.16 0.48 0.40 0.00 -0.25 0.00 0.00 175.29 176.09 2gag s ALA 153 N -1.25 -1.00 0.11 6.09 0.00 -0.44 -1.32 121.76 123.95 2gag s ALA 153 Ca 0.20 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2gag s ALA 153 Cb -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2gag s ALA 153 CO 0.12 -0.21 -0.01 0.96 0.00 0.00 0.00 175.76 176.63 2gag s ILE 154 N -0.02 0.39 -0.17 0.00 -4.36 -0.10 -3.66 121.20 113.28 2gag s ILE 154 Ca -0.02 -1.90 -0.22 0.00 -0.26 0.00 0.00 60.65 58.25 2gag s ILE 154 Cb -0.03 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 2gag s ILE 154 CO 0.01 -0.72 0.67 -0.69 0.24 0.00 0.00 174.94 174.46 2gag s VAL 155 N -3.83 5.01 0.00 8.37 1.01 -1.26 -0.54 120.40 129.15 2gag s VAL 155 Ca 0.16 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2gag s VAL 155 Cb 0.07 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2gag s VAL 155 CO -0.03 0.13 0.00 1.07 0.00 0.00 0.00 175.10 176.27 2gag n THR 156 N 4.49 0.00 -4.04 3.92 5.66 -0.15 -4.97 114.28 119.19 2gag n THR 156 Ca -0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 2gag n THR 156 Cb 0.50 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.13 2gag n THR 156 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2gag s SER 157 N 1.77 0.51 -0.01 1.09 0.15 -1.26 -1.67 113.70 114.29 2gag s SER 157 Ca 0.00 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 2gag s SER 157 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2gag s SER 157 CO 0.00 -0.02 0.02 -0.69 1.20 0.00 0.00 173.24 173.75 2gag s VAL 158 N 0.46 0.01 -1.78 4.45 1.01 -0.68 -3.90 120.40 119.96 2gag s VAL 158 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2gag s VAL 158 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.25 2gag s VAL 158 CO -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 175.10 175.08 2gag n ALA 159 N 2.99 -0.62 -1.40 5.51 0.00 -1.26 -1.68 120.51 124.05 2gag n ALA 159 Ca -0.13 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 2gag n ALA 159 Cb 0.60 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 2gag n ALA 159 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gag n ASN 160 N -1.99 -4.92 -4.23 0.00 5.03 -1.26 -4.94 115.26 102.93 2gag n ASN 160 Ca -0.25 0.34 -0.13 0.00 0.87 0.00 0.00 54.58 55.41 2gag n ASN 160 Cb 0.69 -3.64 -0.10 0.00 -1.02 0.00 0.00 39.78 35.71 2gag n ASN 160 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2gag s ILE 161 N -2.42 0.94 0.15 2.41 -4.36 -0.67 -5.12 121.20 112.12 2gag s ILE 161 Ca 0.00 -2.01 -0.31 0.00 -0.26 0.00 0.00 60.65 58.07 2gag s ILE 161 Cb 0.00 -1.89 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 2gag s ILE 161 CO 0.00 -0.70 1.38 -2.84 0.24 0.00 0.00 174.94 173.02 2gag s PRO 162 N -3.81 4.33 0.19 0.37 0.02 -1.26 -1.69 135.00 133.15 2gag s PRO 162 Ca 0.18 2.09 -0.07 0.00 0.02 0.00 0.00 61.00 63.22 2gag s PRO 162 Cb 0.04 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2gag s PRO 162 CO 0.00 -0.39 0.26 0.14 -0.33 0.00 0.00 177.00 176.68 2gag s VAL 163 N 0.77 0.04 -0.16 3.83 -7.23 -0.67 -4.25 120.40 112.73 2gag s VAL 163 Ca 0.62 -1.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 2gag s VAL 163 Cb -0.37 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2gag s VAL 163 CO 0.33 -0.17 0.05 -0.76 -0.31 0.00 0.00 175.10 174.24 2gag s LEU 164 N -3.04 3.76 -0.15 1.32 1.43 -1.02 -0.98 118.68 119.99 2gag s LEU 164 Ca 0.25 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2gag s LEU 164 Cb 0.04 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.34 2gag s LEU 164 CO 0.06 0.23 -0.19 -0.22 0.23 0.00 0.00 176.35 176.46 2gag s LEU 165 N 0.02 2.27 -0.10 1.79 2.96 0.30 -0.78 118.68 125.14 2gag s LEU 165 Ca 0.05 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2gag s LEU 165 Cb -0.12 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.09 2gag s LEU 165 CO 0.01 0.07 -0.09 0.86 -1.32 0.00 0.00 176.35 175.88 2gag s TRP 166 N 0.89 1.48 -0.56 5.38 -0.00 0.02 -0.93 118.94 125.22 2gag s TRP 166 Ca -0.05 -0.68 -0.22 0.00 -0.00 0.00 0.00 56.10 55.15 2gag s TRP 166 Cb -0.15 -1.18 0.06 0.00 -0.00 0.00 0.00 33.47 32.19 2gag s TRP 166 CO -0.03 -0.44 0.82 0.50 -0.00 0.00 0.00 176.95 177.81 2gag s ARG 167 N 1.38 3.19 0.22 5.86 3.52 -0.43 -0.12 118.95 132.58 2gag s ARG 167 Ca -0.01 -0.68 0.20 0.00 -0.13 0.00 0.00 55.73 55.11 2gag s ARG 167 Cb -0.14 -4.12 0.04 0.00 -1.56 0.00 0.00 34.95 29.17 2gag s ARG 167 CO -0.05 -1.48 1.15 1.79 -0.81 0.00 0.00 175.30 175.91 2gag h THR 168 N 5.95 0.24 -4.02 4.11 1.35 -1.45 0.68 112.91 119.77 2gag h THR 168 Ca -0.27 -1.41 -0.27 0.00 -0.55 0.00 0.00 66.41 63.90 2gag h THR 168 Cb 1.08 1.85 -0.06 0.00 -1.73 0.00 0.00 68.15 69.29 2gag h THR 168 CO 1.07 0.14 -0.12 -0.83 -0.25 0.00 0.00 175.52 175.52 2gag s GLY 169 N -4.46 1.47 0.24 5.82 0.00 -1.11 -4.59 107.32 104.70 2gag s GLY 169 Ca 0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 44.72 43.18 2gag s GLY 169 CO 0.77 -0.94 1.67 -2.09 0.00 0.00 0.00 173.10 172.51 2gag h GLU 170 N 2.06 0.21 0.00 2.90 4.57 -2.00 -2.92 114.58 119.40 2gag h GLU 170 Ca -0.29 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.79 2gag h GLU 170 Cb 1.24 -0.05 -0.20 0.00 -0.16 0.00 0.00 28.75 29.59 2gag h GLU 170 CO 0.39 0.14 -0.76 1.04 -1.18 0.00 0.00 179.01 178.64 2gag n GLN 171 N -5.21 0.74 -4.79 1.92 6.02 -1.26 -5.05 117.38 109.75 2gag n GLN 171 Ca 0.14 -2.56 -0.31 0.00 -0.01 0.00 0.00 57.00 54.26 2gag n GLN 171 Cb 0.47 -0.77 -0.17 0.00 1.02 0.00 0.00 30.24 30.79 2gag n GLN 171 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gag s ALA 172 N -1.51 2.05 -0.02 -1.58 0.00 -1.11 -0.78 121.76 118.82 2gag s ALA 172 Ca 0.35 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.41 2gag s ALA 172 Cb 0.37 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2gag s ALA 172 CO -0.12 0.07 -0.14 -1.58 0.00 0.00 0.00 175.76 173.99 2gag s TRP 173 N 0.69 1.31 -0.15 0.00 0.52 0.10 -1.19 118.94 120.24 2gag s TRP 173 Ca -0.11 -0.28 -0.03 0.00 0.02 0.00 0.00 56.10 55.70 2gag s TRP 173 Cb -0.16 -0.86 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 2gag s TRP 173 CO 0.02 -0.06 -0.05 1.03 0.02 0.00 0.00 176.95 177.91 2gag s ARG 174 N -0.19 3.57 -0.19 4.98 0.52 0.83 0.08 118.95 128.55 2gag s ARG 174 Ca 0.03 -0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 54.68 2gag s ARG 174 Cb -0.07 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2gag s ARG 174 CO 0.00 0.28 -0.08 0.42 0.02 0.00 0.00 175.30 175.93 2gag s ILE 175 N 0.25 3.17 -0.59 1.52 1.01 0.28 -0.80 121.20 126.05 2gag s ILE 175 Ca -0.04 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2gag s ILE 175 Cb -0.14 -2.40 0.15 0.00 0.01 0.00 0.00 42.46 40.09 2gag s ILE 175 CO 0.03 0.47 0.38 -0.04 0.00 0.00 0.00 174.94 175.78 2gag s MET 176 N 1.08 1.99 0.61 2.79 -1.94 0.04 -1.40 119.30 122.47 2gag s MET 176 Ca 0.00 -2.82 -0.07 0.00 -1.71 0.00 0.00 55.69 51.09 2gag s MET 176 Cb -0.15 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.71 2gag s MET 176 CO -0.01 -1.24 0.94 -1.25 -0.01 0.00 0.00 175.02 173.45 2gag s PRO 177 N -0.72 2.88 0.51 2.03 0.04 -1.25 -2.45 135.00 136.03 2gag s PRO 177 Ca 0.23 0.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.10 2gag s PRO 177 Cb -0.12 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 2gag s PRO 177 CO -0.10 -0.78 1.23 1.03 0.04 0.00 0.00 177.00 178.42 2gag s ARG 178 N -5.06 3.42 0.30 4.56 0.52 -1.26 -1.91 118.95 119.52 2gag s ARG 178 Ca 0.55 1.93 0.05 0.00 -0.52 0.00 0.00 55.73 57.73 2gag s ARG 178 Cb -0.11 -2.27 0.76 0.00 0.52 0.00 0.00 34.95 33.85 2gag s ARG 178 CO 0.46 -0.87 1.70 0.00 0.02 0.00 0.00 175.30 176.61 2gag h ALA 179 N 1.64 1.51 0.00 2.13 0.00 -1.29 -1.36 119.26 121.89 2gag h ALA 179 Ca -0.50 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2gag h ALA 179 Cb 1.27 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2gag h ALA 179 CO 0.58 -0.32 -0.02 0.66 0.00 0.00 0.00 179.25 180.15 2gag h SER 180 N 0.44 0.00 -0.08 0.00 4.64 -1.90 -1.70 113.55 114.95 2gag h SER 180 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2gag h SER 180 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2gag h SER 180 CO -0.51 0.02 0.00 0.49 -0.87 0.00 0.00 176.83 175.95 2gag n PHE 181 N -3.16 0.09 0.05 4.77 3.72 -0.51 -4.39 117.46 118.02 2gag n PHE 181 Ca -0.01 -0.04 -0.11 0.00 -0.05 0.00 0.00 57.45 57.24 2gag n PHE 181 Cb 0.20 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 2gag n PHE 181 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2gag h THR 182 N 2.10 0.66 -0.59 4.37 2.02 -1.37 -0.80 112.91 119.30 2gag h THR 182 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2gag h THR 182 Cb 0.45 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2gag h THR 182 CO 0.00 0.00 0.37 -0.08 0.37 0.00 0.00 175.52 176.18 2gag h GLU 183 N -0.23 0.73 -0.81 6.66 4.81 -1.81 0.00 114.58 123.93 2gag h GLU 183 Ca 0.05 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2gag h GLU 183 Cb 0.29 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2gag h GLU 183 CO -0.14 0.48 0.52 1.25 -0.73 0.00 0.00 179.01 180.39 2gag h HIS 184 N 0.75 0.97 -0.45 0.92 2.76 -1.77 -0.94 115.15 117.38 2gag h HIS 184 Ca 0.22 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.31 2gag h HIS 184 Cb -0.04 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 2gag h HIS 184 CO -0.04 0.54 -0.15 1.15 -1.30 0.00 0.00 177.93 178.13 2gag h THR 185 N 1.00 1.27 -0.27 6.26 2.02 -0.37 -1.75 112.91 121.06 2gag h THR 185 Ca 0.33 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2gag h THR 185 Cb 0.04 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2gag h THR 185 CO -0.12 0.44 0.15 0.58 0.37 0.00 0.00 175.52 176.94 2gag h VAL 186 N 0.74 1.12 -0.85 3.16 2.07 -0.64 0.17 116.25 122.02 2gag h VAL 186 Ca 0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2gag h VAL 186 Cb 0.71 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2gag h VAL 186 CO 0.05 0.11 0.49 0.45 0.02 0.00 0.00 177.57 178.70 2gag h HIS 187 N 0.33 1.14 -0.29 1.57 3.86 -1.06 0.24 115.15 120.94 2gag h HIS 187 Ca 0.10 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2gag h HIS 187 Cb 0.05 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 2gag h HIS 187 CO -0.04 0.77 0.07 2.35 0.86 0.00 0.00 177.93 181.95 2gag h TRP 188 N 1.18 0.48 -0.04 2.45 7.01 -0.97 -1.76 115.95 124.30 2gag h TRP 188 Ca 0.30 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.25 2gag h TRP 188 Cb -0.01 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2gag h TRP 188 CO 0.01 0.52 0.02 -0.07 -2.79 0.00 0.00 178.44 176.13 2gag h LEU 189 N 0.30 0.04 -0.54 0.65 3.38 -0.25 -0.84 115.31 118.04 2gag h LEU 189 Ca 0.09 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2gag h LEU 189 Cb 0.28 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2gag h LEU 189 CO 0.00 0.03 0.17 0.58 0.09 0.00 0.00 178.44 179.31 2gag h VAL 190 N 0.05 0.77 -0.85 1.22 2.07 -0.49 0.21 116.25 119.23 2gag h VAL 190 Ca 0.01 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2gag h VAL 190 Cb -0.00 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2gag h VAL 190 CO -0.01 0.06 0.56 -0.78 0.02 0.00 0.00 177.57 177.42 2gag h ASP 191 N 0.34 0.98 1.13 0.57 3.58 -0.92 -2.40 116.42 119.69 2gag h ASP 191 Ca 0.27 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 2gag h ASP 191 Cb 0.33 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2gag h ASP 191 CO -0.29 0.72 -0.11 0.00 -2.88 0.00 0.00 179.24 176.68 2gag h ALA 192 N 1.31 1.00 0.00 -0.78 0.00 -0.01 -2.87 119.26 117.90 2gag h ALA 192 Ca 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2gag h ALA 192 Cb -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2gag h ALA 192 CO -0.07 0.13 -0.41 0.52 0.00 0.00 0.00 179.25 179.43 2gag h MET 193 N 0.00 0.00 -0.58 0.00 2.86 -0.53 -3.37 114.93 113.31 2gag h MET 193 Ca -0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2gag h MET 193 Cb 0.70 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.25 2gag h MET 193 CO 0.01 0.29 -0.38 1.03 1.06 0.00 0.00 176.91 178.92 2gag h SER 194 N 0.00 -1.31 -1.06 1.22 0.87 -1.22 -1.13 113.55 110.92 2gag h SER 194 Ca -0.01 0.24 0.32 0.00 -1.23 0.00 0.00 61.79 61.10 2gag h SER 194 Cb 1.24 0.62 -0.13 0.00 -0.44 0.00 0.00 62.40 63.70 2gag h SER 194 CO 0.04 -0.32 0.64 -0.08 -0.53 0.00 0.00 176.83 176.57 2gag h GLU 195 N -0.20 0.33 0.00 2.24 4.81 -1.77 0.15 114.58 120.14 2gag h GLU 195 Ca 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2gag h GLU 195 Cb 0.56 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2gag h GLU 195 CO -0.68 0.22 0.00 1.19 -0.73 0.00 0.00 179.01 179.00 2gag n PHE 196 N -4.89 0.00 0.07 0.92 3.72 -0.43 -2.78 117.46 114.07 2gag n PHE 196 Ca 0.31 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.63 2gag n PHE 196 Cb 1.00 -0.30 -0.10 0.00 -0.94 0.00 0.00 39.48 39.14 2gag n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gag h ALA 197 N 3.35 0.36 -0.02 4.37 0.00 -0.70 -3.48 119.26 123.14 2gag h ALA 197 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2gag h ALA 197 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2gag h ALA 197 CO 0.00 1.18 0.00 -1.13 0.00 0.00 0.00 179.25 179.30