#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gem s ALA 6 N 0.00 3.35 0.56 7.33 0.00 -1.26 -4.87 121.76 126.87 3gem s ALA 6 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3gem s ALA 6 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 3gem s ALA 6 CO 0.00 0.09 1.06 -1.25 0.00 0.00 0.00 175.76 175.67 3gem s PRO 7 N -0.34 3.44 -0.20 0.00 0.04 -1.26 -3.90 135.00 132.78 3gem s PRO 7 Ca 0.41 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 3gem s PRO 7 Cb -0.22 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3gem s PRO 7 CO 0.26 -0.72 0.33 0.42 0.04 0.00 0.00 177.00 177.33 3gem s ILE 8 N -2.20 5.26 -0.15 0.56 1.01 -0.45 -0.46 121.20 124.76 3gem s ILE 8 Ca 0.66 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 61.67 3gem s ILE 8 Cb -0.17 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3gem s ILE 8 CO 0.30 0.30 0.57 -0.22 0.00 0.00 0.00 174.94 175.89 3gem s LEU 9 N 1.08 4.22 -0.21 2.97 2.96 -0.48 -0.84 118.68 128.38 3gem s LEU 9 Ca 0.16 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3gem s LEU 9 Cb -0.14 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 43.76 3gem s LEU 9 CO 0.06 -0.14 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.17 3gem s ILE 10 N 1.25 2.23 0.45 6.68 -1.09 -0.17 -0.43 121.20 130.12 3gem s ILE 10 Ca 0.28 -1.15 -0.16 0.00 -2.23 0.00 0.00 60.65 57.39 3gem s ILE 10 Cb -0.16 -2.08 -0.08 0.00 -1.58 0.00 0.00 42.46 38.56 3gem s ILE 10 CO 0.11 0.32 0.90 0.42 -1.23 0.00 0.00 174.94 175.47 3gem s THR 11 N 1.24 4.57 -1.27 2.92 -4.23 -0.64 -2.41 115.64 115.81 3gem s THR 11 Ca 0.00 1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 61.57 3gem s THR 11 Cb -0.16 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.01 3gem s THR 11 CO -0.09 -0.50 1.00 0.61 -0.54 0.00 0.00 174.62 175.09 3gem n GLY 12 N -1.14 -0.41 0.00 3.99 0.00 -1.14 -2.51 105.19 103.97 3gem n GLY 12 Ca 0.05 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3gem n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gem n ALA 13 N -4.56 2.58 0.18 4.61 0.00 -0.80 -2.15 120.51 120.37 3gem n ALA 13 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.31 3gem n ALA 13 Cb 0.56 -1.41 0.33 0.00 0.00 0.00 0.00 19.45 18.94 3gem n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gem h SER 14 N 0.00 0.00 -4.17 0.00 0.02 -1.90 -2.31 113.55 105.19 3gem h SER 14 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3gem h SER 14 Cb 0.00 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.69 3gem h SER 14 CO 0.00 0.41 0.40 -1.10 -1.14 0.00 0.00 176.83 175.40 3gem s GLN 15 N -3.73 2.17 0.17 3.45 -0.21 -0.92 -4.72 119.66 115.87 3gem s GLN 15 Ca -0.01 1.76 -0.15 0.00 0.02 0.00 0.00 55.36 56.99 3gem s GLN 15 Cb 0.12 -1.84 0.11 0.00 1.00 0.00 0.00 33.01 32.40 3gem s GLN 15 CO 0.70 -1.81 1.75 -0.09 -2.12 0.00 0.00 175.29 173.72 3gem h ARG 16 N -0.25 0.32 -0.05 2.91 2.43 -1.89 0.78 114.38 118.62 3gem h ARG 16 Ca -0.48 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3gem h ARG 16 Cb 1.30 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3gem h ARG 16 CO 0.50 0.21 -0.02 0.28 -1.51 0.00 0.00 179.97 179.43 3gem h VAL 17 N 0.33 1.31 -0.70 0.20 2.07 -1.94 -2.66 116.25 114.86 3gem h VAL 17 Ca 0.20 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3gem h VAL 17 Cb 0.18 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3gem h VAL 17 CO -0.20 0.27 0.33 1.23 0.02 0.00 0.00 177.57 179.22 3gem h GLY 18 N -0.27 1.08 0.89 2.17 0.00 -1.75 -1.29 103.07 103.90 3gem h GLY 18 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3gem h GLY 18 CO 0.01 0.50 -0.08 -2.00 0.00 0.00 0.00 176.54 174.97 3gem h LEU 19 N 1.00 -0.21 -0.08 3.11 5.85 -0.25 -0.45 115.31 124.29 3gem h LEU 19 Ca 0.24 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3gem h LEU 19 Cb 0.12 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3gem h LEU 19 CO -0.03 -0.13 0.01 -0.74 -0.34 0.00 0.00 178.44 177.21 3gem h HIS 20 N -0.18 0.01 -0.76 1.25 2.76 -1.24 -1.31 115.15 115.68 3gem h HIS 20 Ca 0.01 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3gem h HIS 20 Cb 0.17 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 3gem h HIS 20 CO -0.11 0.00 0.50 0.00 -1.30 0.00 0.00 177.93 177.02 3gem h ALA 22 N 1.28 0.26 -0.71 0.00 0.00 -0.92 -0.09 119.26 119.07 3gem h ALA 22 Ca 0.28 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3gem h ALA 22 Cb -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3gem h ALA 22 CO -0.06 -0.21 0.46 -0.07 0.00 0.00 0.00 179.25 179.36 3gem h LEU 23 N 0.22 0.77 -0.52 0.00 3.38 -1.02 -1.65 115.31 116.48 3gem h LEU 23 Ca 0.07 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3gem h LEU 23 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3gem h LEU 23 CO -0.01 0.54 -0.00 0.03 0.09 0.00 0.00 178.44 179.09 3gem h ARG 24 N 0.91 0.93 -0.94 1.13 2.47 -0.96 -0.54 114.38 117.37 3gem h ARG 24 Ca 0.28 -0.29 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3gem h ARG 24 Cb -0.03 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.16 3gem h ARG 24 CO -0.09 0.95 0.62 -0.07 0.56 0.00 0.00 179.97 181.94 3gem h LEU 25 N 0.80 1.09 -0.31 3.04 3.38 -0.63 0.73 115.31 123.40 3gem h LEU 25 Ca 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3gem h LEU 25 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3gem h LEU 25 CO 0.03 0.80 0.07 -0.07 0.09 0.00 0.00 178.44 179.35 3gem h LEU 26 N 1.28 0.47 -0.95 1.67 3.38 -1.15 -1.59 115.31 118.43 3gem h LEU 26 Ca 0.34 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3gem h LEU 26 Cb -0.14 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 3gem h LEU 26 CO -0.07 0.59 0.60 -0.08 0.09 0.00 0.00 178.44 179.56 3gem h GLU 27 N 0.34 0.98 -0.00 1.13 4.81 -0.69 -1.59 114.58 119.56 3gem h GLU 27 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gem h GLU 27 Cb 0.30 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3gem h GLU 27 CO 0.00 0.65 0.00 0.72 -0.73 0.00 0.00 179.01 179.65 3gem n HIS 28 N -4.61 0.00 0.00 0.92 8.25 0.21 -4.89 115.22 115.11 3gem n HIS 28 Ca 0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3gem n HIS 28 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3gem n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gem n GLY 29 N 0.98 0.92 3.84 -1.41 0.00 -0.60 -5.07 105.19 103.85 3gem n GLY 29 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3gem n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gem s HIS 30 N -2.00 3.40 0.21 1.61 3.76 -0.65 -5.00 115.29 116.62 3gem s HIS 30 Ca 0.00 1.43 -0.30 0.00 -0.15 0.00 0.00 55.06 56.04 3gem s HIS 30 Cb 0.00 -2.74 -0.08 0.00 1.11 0.00 0.00 32.58 30.87 3gem s HIS 30 CO 0.00 -0.21 0.95 1.03 -0.85 0.00 0.00 174.74 175.67 3gem s ARG 31 N -3.66 4.81 -0.03 1.40 3.00 -1.26 -4.26 118.95 118.95 3gem s ARG 31 Ca 0.58 1.49 0.02 0.00 0.00 0.00 0.00 55.73 57.83 3gem s ARG 31 Cb -0.10 -3.30 0.00 0.00 0.00 0.00 0.00 34.95 31.56 3gem s ARG 31 CO 0.24 0.43 -0.09 0.08 0.00 0.00 0.00 175.30 175.96 3gem s VAL 32 N -0.87 0.77 -0.08 3.52 1.01 -1.26 -1.34 120.40 122.15 3gem s VAL 32 Ca 0.43 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3gem s VAL 32 Cb -0.26 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3gem s VAL 32 CO 0.32 0.25 -0.13 -0.63 0.00 0.00 0.00 175.10 174.90 3gem s ILE 33 N 0.25 3.12 0.21 2.22 1.01 -0.02 -1.03 121.20 126.97 3gem s ILE 33 Ca -0.04 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.04 3gem s ILE 33 Cb -0.09 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3gem s ILE 33 CO 0.01 0.57 -0.22 0.27 0.00 0.00 0.00 174.94 175.57 3gem s ILE 34 N -0.37 2.28 0.10 2.92 -5.25 0.55 -1.00 121.20 120.44 3gem s ILE 34 Ca 0.04 -2.12 0.03 0.00 -0.99 0.00 0.00 60.65 57.61 3gem s ILE 34 Cb -0.12 -2.13 -0.04 0.00 2.95 0.00 0.00 42.46 43.12 3gem s ILE 34 CO 0.02 -0.24 0.09 -0.94 -1.79 0.00 0.00 174.94 172.08 3gem s SER 35 N -2.92 5.52 0.06 4.36 1.04 -1.01 -0.40 113.70 120.35 3gem s SER 35 Ca 0.23 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 3gem s SER 35 Cb -0.07 -1.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.58 3gem s SER 35 CO 0.11 0.15 0.18 -0.72 0.98 0.00 0.00 173.24 173.93 3gem s TYR 36 N -1.46 0.13 -0.19 5.02 -0.85 -0.49 -1.90 117.35 117.61 3gem s TYR 36 Ca 0.30 -0.47 0.08 0.00 -0.52 0.00 0.00 57.07 56.45 3gem s TYR 36 Cb -0.12 -0.07 -0.17 0.00 0.38 0.00 0.00 41.96 41.99 3gem s TYR 36 CO 0.22 -0.48 -0.07 -2.13 -1.52 0.00 0.00 175.55 171.57 3gem n ARG 37 N 0.32 0.88 -4.15 -3.49 0.63 -1.26 -1.10 116.66 108.49 3gem n ARG 37 Ca -0.17 0.06 -0.15 0.00 -0.92 0.00 0.00 57.85 56.67 3gem n ARG 37 Cb 0.61 -1.43 -0.13 0.00 0.45 0.00 0.00 32.46 31.96 3gem n ARG 37 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3gem s THR 38 N -2.42 0.60 0.33 5.15 2.01 -1.26 -4.88 115.64 115.16 3gem s THR 38 Ca -0.19 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 3gem s THR 38 Cb 0.06 -0.59 -0.11 0.00 0.01 0.00 0.00 72.50 71.87 3gem s THR 38 CO 0.58 -0.13 1.51 -1.61 -0.69 0.00 0.00 174.62 174.27 3gem s GLU 39 N -0.98 4.15 0.06 4.92 0.41 -1.26 -4.90 118.70 121.10 3gem s GLU 39 Ca -0.04 2.51 -0.26 0.00 -0.41 0.00 0.00 54.97 56.78 3gem s GLU 39 Cb -0.07 -3.01 0.07 0.00 -1.78 0.00 0.00 34.13 29.34 3gem s GLU 39 CO 0.00 -0.53 0.62 -1.58 -0.49 0.00 0.00 175.26 173.29 3gem s HIS 40 N -0.57 -0.57 0.47 1.61 5.65 -1.26 -5.01 115.29 115.59 3gem s HIS 40 Ca 0.57 0.67 0.23 0.00 0.25 0.00 0.00 55.06 56.78 3gem s HIS 40 Cb -0.46 0.48 1.25 0.00 -1.18 0.00 0.00 32.58 32.67 3gem s HIS 40 CO 0.54 -0.73 1.86 0.00 -0.65 0.00 0.00 174.74 175.76 3gem h ALA 41 N 2.49 2.47 -0.04 1.58 0.00 -2.00 0.13 119.26 123.89 3gem h ALA 41 Ca -0.31 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3gem h ALA 41 Cb 1.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3gem h ALA 41 CO 0.39 -0.76 -0.41 0.66 0.00 0.00 0.00 179.25 179.13 3gem h SER 42 N 0.24 0.08 -0.29 0.00 4.64 -1.95 0.12 113.55 116.39 3gem h SER 42 Ca 0.47 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.57 3gem h SER 42 Cb 1.43 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3gem h SER 42 CO -0.12 0.49 -0.51 0.58 -0.87 0.00 0.00 176.83 176.39 3gem h VAL 43 N 0.07 1.28 -0.53 0.95 2.07 -1.11 -1.34 116.25 117.64 3gem h VAL 43 Ca 0.00 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 3gem h VAL 43 Cb 0.76 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3gem h VAL 43 CO 0.06 0.55 0.33 0.74 0.02 0.00 0.00 177.57 179.27 3gem h THR 44 N 0.65 1.16 -0.40 2.57 2.02 -0.88 0.09 112.91 118.11 3gem h THR 44 Ca 0.02 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3gem h THR 44 Cb 1.12 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3gem h THR 44 CO 0.12 0.16 0.23 -0.08 0.37 0.00 0.00 175.52 176.32 3gem h GLU 45 N 0.72 0.45 -0.42 6.66 4.81 -0.58 -0.01 114.58 126.21 3gem h GLU 45 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3gem h GLU 45 Cb -0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3gem h GLU 45 CO -0.04 0.30 0.27 -0.07 -0.73 0.00 0.00 179.01 178.74 3gem h LEU 46 N 0.47 0.49 -0.55 1.64 3.38 -0.94 -0.89 115.31 118.91 3gem h LEU 46 Ca 0.16 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3gem h LEU 46 Cb 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3gem h LEU 46 CO -0.08 0.38 0.31 0.03 0.09 0.00 0.00 178.44 179.17 3gem h ARG 47 N 0.56 0.60 0.00 1.13 3.08 -0.56 -0.55 114.38 118.63 3gem h ARG 47 Ca 0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3gem h ARG 47 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3gem h ARG 47 CO -0.03 0.39 -0.21 1.96 -1.07 0.00 0.00 179.97 181.01 3gem h GLN 48 N 0.61 0.00 -0.00 0.04 1.08 -0.66 -1.52 115.11 114.66 3gem h GLN 48 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3gem h GLN 48 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3gem h GLN 48 CO -0.12 0.21 -0.14 0.00 -0.95 0.00 0.00 178.83 177.83 3gem n ALA 49 N -2.46 2.74 0.00 3.87 0.00 -0.37 -4.94 120.51 119.36 3gem n ALA 49 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3gem n ALA 49 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gem n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gem n GLY 50 N 1.39 0.81 3.77 0.00 0.00 -0.57 -4.95 105.19 105.65 3gem n GLY 50 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3gem n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gem s ALA 51 N -2.00 3.42 -0.35 4.61 0.00 -0.26 -4.70 121.76 122.48 3gem s ALA 51 Ca 0.00 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.21 3gem s ALA 51 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3gem s ALA 51 CO 0.00 -1.09 0.89 0.08 0.00 0.00 0.00 175.76 175.64 3gem s VAL 52 N -1.16 4.64 -0.35 0.00 1.01 -0.19 -4.32 120.40 120.03 3gem s VAL 52 Ca 0.56 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 63.61 3gem s VAL 52 Cb -0.45 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.64 3gem s VAL 52 CO 0.59 -0.46 0.23 0.00 0.00 0.00 0.00 175.10 175.47 3gem s ALA 53 N 3.33 3.44 -0.12 5.51 0.00 -1.26 -0.33 121.76 132.34 3gem s ALA 53 Ca 0.37 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3gem s ALA 53 Cb -0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 3gem s ALA 53 CO 0.17 -1.09 -0.07 -0.51 0.00 0.00 0.00 175.76 174.26 3gem s LEU 54 N 1.68 3.09 0.23 0.00 1.43 0.47 -4.98 118.68 120.60 3gem s LEU 54 Ca 0.05 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3gem s LEU 54 Cb -0.18 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.24 3gem s LEU 54 CO 0.09 0.24 1.38 -0.47 0.23 0.00 0.00 176.35 177.83 3gem s TYR 55 N -0.07 3.11 -0.16 0.29 5.04 -1.26 -1.40 117.35 122.90 3gem s TYR 55 Ca 0.00 1.12 -0.07 0.00 -2.44 0.00 0.00 57.07 55.68 3gem s TYR 55 Cb -0.13 -3.73 0.07 0.00 0.35 0.00 0.00 41.96 38.51 3gem s TYR 55 CO 0.03 -2.33 0.37 0.20 -1.34 0.00 0.00 175.55 172.48 3gem s GLY 56 N 0.32 -0.28 -0.37 8.97 0.00 -0.25 -4.77 107.32 110.94 3gem s GLY 56 Ca 0.58 1.36 -0.06 0.00 0.00 0.00 0.00 44.72 46.60 3gem s GLY 56 CO 0.42 1.83 0.15 -0.35 0.00 0.00 0.00 173.10 175.15 3gem s ASP 57 N 1.81 5.34 -0.11 1.64 2.15 -1.26 -4.21 116.67 122.03 3gem s ASP 57 Ca -0.06 -1.38 0.16 0.00 0.43 0.00 0.00 52.55 51.70 3gem s ASP 57 Cb -0.10 -1.88 0.66 0.00 -0.30 0.00 0.00 42.92 41.31 3gem s ASP 57 CO -0.12 -0.41 1.55 0.49 -0.17 0.00 0.00 175.17 176.52 3gem n PHE 58 N 4.79 1.40 0.48 -5.34 3.72 -1.26 -2.78 117.46 118.47 3gem n PHE 58 Ca -0.10 -0.55 0.13 0.00 -0.05 0.00 0.00 57.45 56.88 3gem n PHE 58 Cb 0.44 -0.25 0.44 0.00 -0.94 0.00 0.00 39.48 39.16 3gem n PHE 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gem h SER 59 N 3.69 0.00 -5.10 4.37 4.64 -1.89 -3.18 113.55 116.08 3gem h SER 59 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3gem h SER 59 Cb 1.38 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.40 3gem h SER 59 CO 0.23 0.00 0.08 0.00 -0.87 0.00 0.00 176.83 176.27 3gem h GLU 61 N 2.12 0.27 -0.59 0.00 4.81 -1.93 -1.83 114.58 117.43 3gem h GLU 61 Ca -0.24 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3gem h GLU 61 Cb 1.25 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 3gem h GLU 61 CO 0.30 0.18 0.27 1.15 -0.73 0.00 0.00 179.01 180.18 3gem h THR 62 N 0.27 0.87 -0.56 0.32 2.02 -1.96 -2.72 112.91 111.15 3gem h THR 62 Ca 0.31 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 3gem h THR 62 Cb 0.44 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3gem h THR 62 CO -0.38 0.09 -0.07 1.23 0.37 0.00 0.00 175.52 176.76 3gem h GLY 63 N 0.49 1.11 -1.06 2.16 0.00 -1.59 -0.66 103.07 103.52 3gem h GLY 63 Ca 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3gem h GLY 63 CO -0.23 0.79 0.00 1.39 0.00 0.00 0.00 176.54 178.49 3gem n ILE 64 N -4.16 0.01 0.00 2.60 5.41 -0.74 -1.05 119.36 121.43 3gem n ILE 64 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3gem n ILE 64 Cb 0.38 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 3gem n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gem n ALA 66 N 0.47 0.00 -0.13 -1.39 0.00 -0.26 -1.19 120.51 118.01 3gem n ALA 66 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3gem n ALA 66 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 3gem n ALA 66 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gem h PHE 67 N 0.00 0.54 -0.39 0.00 3.57 -1.35 -0.95 116.94 118.37 3gem h PHE 67 Ca 0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3gem h PHE 67 Cb 0.00 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3gem h PHE 67 CO 0.00 0.43 0.24 0.82 -2.23 0.00 0.00 178.31 177.57 3gem h ILE 68 N 0.49 1.07 -0.59 1.41 2.04 -1.42 0.72 117.51 121.24 3gem h ILE 68 Ca 0.14 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3gem h ILE 68 Cb 0.08 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3gem h ILE 68 CO -0.02 0.09 0.33 0.44 0.00 0.00 0.00 178.15 178.99 3gem h ASP 69 N 0.49 0.50 -0.37 1.72 3.32 -1.80 -0.54 116.42 119.74 3gem h ASP 69 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3gem h ASP 69 Cb -0.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3gem h ASP 69 CO -0.05 0.34 0.23 0.25 -1.72 0.00 0.00 179.24 178.29 3gem h LEU 70 N 0.63 0.43 -0.80 1.55 5.85 -0.59 -2.18 115.31 120.21 3gem h LEU 70 Ca 0.25 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3gem h LEU 70 Cb 0.11 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 3gem h LEU 70 CO -0.15 0.33 0.43 0.25 -0.34 0.00 0.00 178.44 178.97 3gem h LEU 71 N 0.49 0.60 -1.59 2.25 5.85 -0.49 -0.65 115.31 121.76 3gem h LEU 71 Ca 0.13 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3gem h LEU 71 Cb -0.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3gem h LEU 71 CO -0.03 0.33 -0.15 0.11 -0.34 0.00 0.00 178.44 178.36 3gem h LYS 72 N 0.72 0.00 0.00 1.25 1.57 -0.69 -0.14 116.57 119.28 3gem h LYS 72 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3gem h LYS 72 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gem h LYS 72 CO -0.27 0.15 0.00 1.79 -0.57 0.00 0.00 179.45 180.55 3gem h THR 73 N 0.00 0.00 0.04 -0.16 1.35 -0.50 -3.35 112.91 110.29 3gem h THR 73 Ca -0.00 -0.63 -0.34 0.00 -0.55 0.00 0.00 66.41 64.89 3gem h THR 73 Cb 0.51 1.59 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 3gem h THR 73 CO 0.02 0.00 -2.03 0.00 -0.25 0.00 0.00 175.52 173.26 3gem n GLN 74 N -2.70 0.68 -3.76 4.72 1.13 -0.12 -5.01 117.38 112.32 3gem n GLN 74 Ca 0.04 0.21 -0.13 0.00 -1.94 0.00 0.00 57.00 55.17 3gem n GLN 74 Cb 0.41 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 3gem n GLN 74 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3gem s THR 75 N -2.56 0.03 -1.34 5.09 -1.32 -0.84 -5.02 115.64 109.69 3gem s THR 75 Ca -0.15 -0.28 0.25 0.00 -1.21 0.00 0.00 61.69 60.30 3gem s THR 75 Cb 0.07 -0.56 0.06 0.00 -1.51 0.00 0.00 72.50 70.57 3gem s THR 75 CO 0.78 -0.15 1.38 -1.54 -2.21 0.00 0.00 174.62 172.87 3gem n SER 76 N 1.94 0.86 -3.86 8.08 3.41 -1.26 -4.59 113.62 118.21 3gem n SER 76 Ca -0.18 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 57.68 3gem n SER 76 Cb 0.57 0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.76 3gem n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gem s SER 77 N -2.79 0.11 -0.03 4.04 1.04 -1.26 -4.64 113.70 110.17 3gem s SER 77 Ca 0.16 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.01 3gem s SER 77 Cb 0.18 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3gem s SER 77 CO 0.65 -0.68 -0.04 -0.76 0.98 0.00 0.00 173.24 173.39 3gem s LEU 78 N -2.66 1.53 0.17 2.42 1.43 -0.36 -4.23 118.68 116.99 3gem s LEU 78 Ca 0.02 -0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3gem s LEU 78 Cb 0.03 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 45.96 3gem s LEU 78 CO -0.09 -0.02 1.50 -0.09 0.23 0.00 0.00 176.35 177.87 3gem h ARG 79 N 6.78 0.74 -2.51 1.70 9.65 -0.88 -3.38 114.38 126.49 3gem h ARG 79 Ca -0.36 -0.42 -0.01 0.00 -1.10 0.00 0.00 59.98 58.09 3gem h ARG 79 Cb 1.16 0.03 -0.15 0.00 -1.39 0.00 0.00 29.97 29.62 3gem h ARG 79 CO 0.49 1.05 0.26 0.00 2.80 0.00 0.00 179.97 184.57 3gem s ALA 80 N -4.20 -1.70 -0.14 2.80 0.00 -1.24 -2.29 121.76 114.99 3gem s ALA 80 Ca -0.09 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3gem s ALA 80 Cb 0.11 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3gem s ALA 80 CO 0.86 -0.61 -0.21 0.08 0.00 0.00 0.00 175.76 175.88 3gem s VAL 81 N -2.72 1.99 -0.34 0.00 1.01 -0.54 -1.38 120.40 118.42 3gem s VAL 81 Ca -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3gem s VAL 81 Cb -0.01 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.66 3gem s VAL 81 CO -0.05 0.54 0.10 -0.69 0.00 0.00 0.00 175.10 175.00 3gem s VAL 82 N 0.83 3.49 -0.93 2.92 1.01 0.43 -0.75 120.40 127.40 3gem s VAL 82 Ca -0.07 -1.38 -0.23 0.00 0.00 0.00 0.00 61.98 60.30 3gem s VAL 82 Cb -0.15 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.23 3gem s VAL 82 CO -0.02 -0.27 1.32 -1.00 0.00 0.00 0.00 175.10 175.14 3gem s HIS 83 N 1.31 2.62 -0.05 5.22 3.76 0.42 -1.63 115.29 126.95 3gem s HIS 83 Ca -0.01 -0.81 0.14 0.00 -0.15 0.00 0.00 55.06 54.23 3gem s HIS 83 Cb -0.20 -4.58 -0.22 0.00 1.11 0.00 0.00 32.58 28.69 3gem s HIS 83 CO 0.00 -1.85 0.26 -1.71 -0.85 0.00 0.00 174.74 170.59 3gem n ASN 84 N 8.40 1.58 -4.64 1.40 5.15 -1.24 -0.74 115.26 125.18 3gem n ASN 84 Ca 0.24 0.00 -0.48 0.00 -0.60 0.00 0.00 54.58 53.74 3gem n ASN 84 Cb 0.50 1.48 -0.05 0.00 -0.53 0.00 0.00 39.78 41.18 3gem n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gem n ALA 85 N -2.14 0.48 -3.13 5.20 0.00 -1.04 -4.83 120.51 115.05 3gem n ALA 85 Ca -0.08 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 3gem n ALA 85 Cb 0.53 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 3gem n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gem s SER 86 N 0.71 -0.11 -0.07 0.00 0.15 -1.26 -4.72 113.70 108.40 3gem s SER 86 Ca 0.80 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 3gem s SER 86 Cb -0.78 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 63.88 3gem s SER 86 CO 0.42 -0.26 0.02 -0.70 1.20 0.00 0.00 173.24 173.91 3gem s GLU 87 N -0.76 0.46 -0.14 5.44 2.12 -1.26 -5.10 118.70 119.45 3gem s GLU 87 Ca -0.08 0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.34 3gem s GLU 87 Cb -0.05 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.36 3gem s GLU 87 CO 0.01 -0.33 -0.01 -0.46 -0.54 0.00 0.00 175.26 173.93 3gem s TRP 88 N 2.01 3.08 0.10 5.30 -0.00 -1.26 -5.01 118.94 123.16 3gem s TRP 88 Ca 0.05 -0.13 0.06 0.00 -0.00 0.00 0.00 56.10 56.08 3gem s TRP 88 Cb -0.12 -1.94 -0.03 0.00 -0.00 0.00 0.00 33.47 31.37 3gem s TRP 88 CO -0.05 0.11 -0.15 -0.51 -0.00 0.00 0.00 176.95 176.34 3gem s LEU 89 N 0.09 2.33 0.48 5.86 1.43 -1.26 -5.14 118.68 122.47 3gem s LEU 89 Ca 0.01 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3gem s LEU 89 Cb -0.13 -0.59 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 3gem s LEU 89 CO 0.02 -0.08 0.99 0.00 0.23 0.00 0.00 176.35 177.51 3gem s ALA 90 N -1.62 2.98 -1.29 4.21 0.00 -1.26 -4.89 121.76 119.89 3gem s ALA 90 Ca 0.04 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 3gem s ALA 90 Cb -0.08 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 3gem s ALA 90 CO 0.03 -0.15 2.87 -1.91 0.00 0.00 0.00 175.76 176.60 3gem n GLU 91 N -1.08 3.17 -1.95 0.00 2.13 -1.26 -4.93 120.64 116.72 3gem n GLU 91 Ca 0.08 -1.90 -0.42 0.00 0.66 0.00 0.00 57.16 55.58 3gem n GLU 91 Cb 0.54 -2.63 -0.03 0.00 0.27 0.00 0.00 31.44 29.59 3gem n GLU 91 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3gem s THR 92 N 2.26 2.83 0.21 6.31 2.01 -1.26 -4.86 115.64 123.14 3gem s THR 92 Ca 0.63 0.50 -0.32 0.00 0.31 0.00 0.00 61.69 62.82 3gem s THR 92 Cb 0.18 -3.32 -0.12 0.00 0.01 0.00 0.00 72.50 69.24 3gem s THR 92 CO -0.05 0.02 1.65 -2.65 -0.69 0.00 0.00 174.62 172.91 3gem n PRO 93 N 4.54 2.58 -0.21 4.92 -0.02 -1.26 -0.27 135.00 145.27 3gem n PRO 93 Ca 0.14 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3gem n PRO 93 Cb 0.40 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3gem n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gem n GLY 94 N 3.46 2.18 0.07 -1.23 0.00 -1.26 -4.82 105.19 103.60 3gem n GLY 94 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3gem n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gem n GLU 95 N -2.00 2.57 -0.11 1.61 1.02 0.63 -4.81 120.64 119.55 3gem n GLU 95 Ca 0.00 -1.82 -0.09 0.00 -0.02 0.00 0.00 57.16 55.23 3gem n GLU 95 Cb 0.00 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 3gem n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3gem h GLU 96 N 0.15 0.48 -0.33 3.49 3.07 -1.84 -0.08 114.58 119.53 3gem h GLU 96 Ca 0.00 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 3gem h GLU 96 Cb 0.65 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3gem h GLU 96 CO 0.00 0.43 0.05 0.00 -1.40 0.00 0.00 179.01 178.09 3gem h ALA 97 N 1.03 0.44 -0.42 3.43 0.00 -1.92 -0.78 119.26 121.05 3gem h ALA 97 Ca 0.12 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3gem h ALA 97 Cb 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3gem h ALA 97 CO -0.02 0.14 0.10 -0.44 0.00 0.00 0.00 179.25 179.03 3gem h ASP 98 N 0.37 0.06 -0.34 0.00 3.32 -1.84 -0.72 116.42 117.26 3gem h ASP 98 Ca 0.10 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3gem h ASP 98 Cb 0.35 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3gem h ASP 98 CO 0.01 0.07 -0.18 0.78 -1.72 0.00 0.00 179.24 178.19 3gem h ASN 99 N 0.24 0.75 -0.50 6.45 2.35 -0.91 -0.65 115.58 123.31 3gem h ASN 99 Ca 0.20 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3gem h ASN 99 Cb 0.23 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3gem h ASN 99 CO -0.24 1.00 0.31 0.15 -1.65 0.00 0.00 177.43 176.99 3gem h PHE 100 N 0.51 0.66 -0.93 1.19 3.57 -0.98 -2.46 116.94 118.49 3gem h PHE 100 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3gem h PHE 100 Cb 0.72 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3gem h PHE 100 CO 0.06 0.45 0.58 1.15 -2.23 0.00 0.00 178.31 178.32 3gem h THR 101 N 0.67 1.25 0.00 4.41 2.02 -1.02 0.21 112.91 120.46 3gem h THR 101 Ca 0.18 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3gem h THR 101 Cb -0.02 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 3gem h THR 101 CO -0.03 0.25 0.00 -1.14 0.37 0.00 0.00 175.52 174.97 3gem n ARG 102 N -4.40 0.30 0.00 6.66 0.63 -0.26 -0.86 116.66 118.74 3gem n ARG 102 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3gem n ARG 102 Cb 0.04 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.75 3gem n ARG 102 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3gem n PHE 104 N 0.46 0.00 -0.12 -0.14 7.35 0.06 -1.78 117.46 123.30 3gem n PHE 104 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 3gem n PHE 104 Cb 0.09 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.94 3gem n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gem h SER 105 N 0.00 0.31 -0.03 -2.13 0.87 -1.25 -0.25 113.55 111.06 3gem h SER 105 Ca 0.00 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 3gem h SER 105 Cb 0.00 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3gem h SER 105 CO 0.00 0.22 -0.52 0.58 -0.53 0.00 0.00 176.83 176.58 3gem h VAL 106 N 0.41 1.42 -0.01 2.23 2.07 -1.33 0.14 116.25 121.18 3gem h VAL 106 Ca 0.16 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3gem h VAL 106 Cb 0.05 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3gem h VAL 106 CO -0.10 0.57 -0.09 1.41 0.02 0.00 0.00 177.57 179.39 3gem n HIS 107 N -4.26 0.00 0.00 1.57 8.25 -1.23 -4.33 115.22 115.23 3gem n HIS 107 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3gem n HIS 107 Cb 0.62 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3gem n HIS 107 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3gem n LEU 109 N -0.41 0.00 0.01 2.41 7.94 -0.11 -4.44 117.00 122.40 3gem n LEU 109 Ca 0.17 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.95 3gem n LEU 109 Cb 0.31 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.19 3gem n LEU 109 CO 0.21 0.00 0.86 0.00 -1.11 0.00 0.00 177.39 177.34 3gem h ALA 110 N 0.00 0.08 -0.45 1.96 0.00 -0.90 -1.42 119.26 118.52 3gem h ALA 110 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3gem h ALA 110 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gem h ALA 110 CO 0.00 -0.39 -0.10 -1.35 0.00 0.00 0.00 179.25 177.42 3gem h PRO 111 N 0.01 0.81 0.19 0.00 0.11 -1.81 -0.43 132.00 130.89 3gem h PRO 111 Ca 0.02 -0.27 0.01 0.00 0.11 0.00 0.00 66.00 65.87 3gem h PRO 111 Cb 0.07 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3gem h PRO 111 CO -0.00 0.88 -0.29 -0.92 -0.21 0.00 0.00 178.00 177.46 3gem h TYR 112 N 0.74 -0.78 -0.34 0.65 3.20 -1.88 0.40 116.97 118.95 3gem h TYR 112 Ca 0.13 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 3gem h TYR 112 Cb 0.59 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3gem h TYR 112 CO 0.03 -0.40 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.68 3gem h LEU 113 N -0.55 0.89 -0.29 2.82 3.38 -1.12 -0.89 115.31 119.55 3gem h LEU 113 Ca 0.01 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3gem h LEU 113 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3gem h LEU 113 CO -0.12 1.18 0.18 0.40 0.09 0.00 0.00 178.44 180.16 3gem h ILE 114 N 0.68 1.10 -0.43 1.22 2.04 -1.05 0.15 117.51 121.22 3gem h ILE 114 Ca 0.05 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3gem h ILE 114 Cb 0.97 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3gem h ILE 114 CO 0.09 0.10 0.22 0.78 0.00 0.00 0.00 178.15 179.34 3gem h ASN 115 N 0.37 0.55 -0.25 1.72 2.35 -0.79 0.12 115.58 119.64 3gem h ASN 115 Ca 0.10 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3gem h ASN 115 Cb 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3gem h ASN 115 CO -0.02 0.50 0.12 0.25 -1.65 0.00 0.00 177.43 176.63 3gem h LEU 116 N 0.55 0.32 0.00 1.61 5.85 -0.94 -2.28 115.31 120.43 3gem h LEU 116 Ca 0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3gem h LEU 116 Cb 0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gem h LEU 116 CO -0.02 0.35 -0.43 0.45 -0.34 0.00 0.00 178.44 178.45 3gem h HIS 117 N 0.28 0.00 -0.12 1.25 3.86 -0.86 -3.32 115.15 116.24 3gem h HIS 117 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3gem h HIS 117 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3gem h HIS 117 CO -0.02 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.77 3gem h GLU 119 N 2.86 0.58 -0.04 0.00 4.22 -1.52 -0.80 114.58 119.89 3gem h GLU 119 Ca 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.35 3gem h GLU 119 Cb 0.66 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3gem h GLU 119 CO 0.00 0.39 -0.23 -1.35 -2.18 0.00 0.00 179.01 175.63 3gem h PRO 120 N 0.60 0.07 -0.60 0.92 0.11 -1.86 -0.29 132.00 130.95 3gem h PRO 120 Ca 0.50 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.49 3gem h PRO 120 Cb 0.77 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3gem h PRO 120 CO -0.40 0.30 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.61 3gem h LEU 121 N 0.06 1.05 -0.49 2.35 3.38 -1.43 -2.83 115.31 117.40 3gem h LEU 121 Ca 0.01 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 3gem h LEU 121 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3gem h LEU 121 CO 0.03 1.11 -0.24 -0.07 0.09 0.00 0.00 178.44 179.36 3gem h LEU 122 N 0.97 1.01 0.00 1.67 3.38 -0.66 -0.90 115.31 120.78 3gem h LEU 122 Ca 0.17 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3gem h LEU 122 Cb 0.58 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gem h LEU 122 CO 0.03 1.19 0.00 0.35 0.09 0.00 0.00 178.44 180.11 3gem n THR 123 N -4.10 0.16 0.34 0.22 -2.24 -0.21 -1.26 114.28 107.20 3gem n THR 123 Ca -0.00 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 3gem n THR 123 Cb 0.47 -0.59 0.58 0.00 -2.10 0.00 0.00 70.33 68.69 3gem n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gem h ALA 124 N 3.11 1.00 -2.94 6.98 0.00 -1.34 -3.44 119.26 122.64 3gem h ALA 124 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3gem h ALA 124 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 3gem h ALA 124 CO 0.00 0.00 -0.54 0.45 0.00 0.00 0.00 179.25 179.16 3gem s SER 125 N -4.60 5.92 0.30 0.00 0.15 -0.39 -4.98 113.70 110.10 3gem s SER 125 Ca 0.02 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.00 3gem s SER 125 Cb 0.09 -1.84 0.46 0.00 -1.71 0.00 0.00 66.02 63.02 3gem s SER 125 CO 0.41 0.38 1.86 -0.08 1.20 0.00 0.00 173.24 177.01 3gem h GLU 126 N 5.17 0.79 -5.26 5.44 4.57 -1.85 -3.38 114.58 120.06 3gem h GLU 126 Ca -0.52 -0.14 -0.67 0.00 -1.18 0.00 0.00 59.36 56.85 3gem h GLU 126 Cb 1.21 -0.13 -0.33 0.00 -0.16 0.00 0.00 28.75 29.34 3gem h GLU 126 CO 0.58 0.69 -0.87 0.08 -1.18 0.00 0.00 179.01 178.30 3gem s VAL 127 N -5.27 1.99 -0.00 0.32 1.01 -1.26 -5.06 120.40 112.12 3gem s VAL 127 Ca -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3gem s VAL 127 Cb 0.16 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3gem s VAL 127 CO 0.79 0.54 -0.00 0.00 0.00 0.00 0.00 175.10 176.43 3gem s ALA 128 N 0.42 0.09 0.01 5.51 0.00 -1.26 -4.78 121.76 121.75 3gem s ALA 128 Ca -0.17 0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.83 3gem s ALA 128 Cb -0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 3gem s ALA 128 CO 0.07 -0.00 -0.08 -0.51 0.00 0.00 0.00 175.76 175.24 3gem s ASP 129 N 0.17 0.97 -0.11 0.00 1.01 -0.97 -1.46 116.67 116.28 3gem s ASP 129 Ca -0.01 -0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.03 3gem s ASP 129 Cb -0.03 -0.08 -0.01 0.00 1.01 0.00 0.00 42.92 43.81 3gem s ASP 129 CO -0.00 0.05 -0.15 -0.63 0.21 0.00 0.00 175.17 174.64 3gem s ILE 130 N -0.40 2.87 -0.14 0.77 1.01 0.79 -1.46 121.20 124.62 3gem s ILE 130 Ca 0.01 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3gem s ILE 130 Cb -0.04 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3gem s ILE 130 CO -0.00 0.54 -0.16 -0.69 0.00 0.00 0.00 174.94 174.63 3gem s VAL 131 N 0.21 1.69 -0.29 2.92 1.01 0.07 -1.29 120.40 124.73 3gem s VAL 131 Ca -0.10 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 3gem s VAL 131 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3gem s VAL 131 CO 0.06 0.48 0.35 -1.00 0.00 0.00 0.00 175.10 174.99 3gem s HIS 132 N 1.25 3.23 -0.42 5.22 3.76 0.14 -0.44 115.29 128.03 3gem s HIS 132 Ca 0.01 0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 55.02 3gem s HIS 132 Cb -0.14 -2.58 0.02 0.00 1.11 0.00 0.00 32.58 31.00 3gem s HIS 132 CO -0.08 -0.27 0.48 0.42 -0.85 0.00 0.00 174.74 174.45 3gem s ILE 133 N 2.03 5.03 0.00 0.60 -1.09 0.09 -0.99 121.20 126.86 3gem s ILE 133 Ca 0.13 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 3gem s ILE 133 Cb -0.16 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 3gem s ILE 133 CO 0.10 -0.43 0.00 -1.54 -1.23 0.00 0.00 174.94 171.84 3gem n SER 134 N 5.75 0.00 -3.64 3.58 3.41 -0.12 -4.77 113.62 117.82 3gem n SER 134 Ca -0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 3gem n SER 134 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 3gem n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gem s ASP 135 N -0.64 -0.49 0.32 4.04 -1.08 -1.26 -4.55 116.67 113.02 3gem s ASP 135 Ca 0.00 0.85 0.20 0.00 -0.52 0.00 0.00 52.55 53.08 3gem s ASP 135 Cb 0.00 1.05 1.11 0.00 -1.46 0.00 0.00 42.92 43.62 3gem s ASP 135 CO 0.00 -0.14 1.61 -0.67 0.52 0.00 0.00 175.17 176.49 3gem n ASP 136 N 3.03 0.53 0.23 -0.34 2.03 0.09 -2.70 116.55 119.42 3gem n ASP 136 Ca -0.16 0.74 0.14 0.00 0.52 0.00 0.00 54.79 56.03 3gem n ASP 136 Cb 0.57 -0.79 0.78 0.00 -0.72 0.00 0.00 41.12 40.96 3gem n ASP 136 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3gem h VAL 137 N 0.00 0.69 -0.08 5.18 3.04 -1.94 -2.51 116.25 120.63 3gem h VAL 137 Ca 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 3gem h VAL 137 Cb 0.07 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3gem h VAL 137 CO 0.00 0.00 0.07 0.71 -1.01 0.00 0.00 177.57 177.34 3gem h THR 138 N 0.00 0.78 -0.27 3.17 1.35 -1.83 -0.98 112.91 115.13 3gem h THR 138 Ca 0.05 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 3gem h THR 138 Cb 0.22 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 3gem h THR 138 CO -0.00 0.00 0.17 0.03 -0.25 0.00 0.00 175.52 175.47 3gem h ARG 139 N 0.00 0.33 0.00 4.72 3.08 -1.72 -3.27 114.38 117.52 3gem h ARG 139 Ca 0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3gem h ARG 139 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3gem h ARG 139 CO -0.00 0.22 -1.85 1.17 -1.07 0.00 0.00 179.97 178.44 3gem n LYS 140 N -4.92 0.65 0.00 0.04 4.81 -1.16 -5.12 118.16 112.46 3gem n LYS 140 Ca -0.02 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 3gem n LYS 140 Cb 0.04 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.51 3gem n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gem n GLY 141 N 1.29 -1.41 2.70 3.14 0.00 -0.38 -4.98 105.19 105.55 3gem n GLY 141 Ca -0.06 -1.58 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 3gem n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gem s SER 142 N -4.14 1.07 0.28 1.61 0.15 -1.26 -4.87 113.70 106.54 3gem s SER 142 Ca 0.00 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 3gem s SER 142 Cb 0.00 -0.19 0.45 0.00 -1.71 0.00 0.00 66.02 64.57 3gem s SER 142 CO 0.00 -0.22 1.90 -1.28 1.20 0.00 0.00 173.24 174.84 3gem h SER 143 N 8.24 1.00 0.01 5.45 0.87 -1.99 -3.24 113.55 123.89 3gem h SER 143 Ca -0.18 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 3gem h SER 143 Cb 1.12 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3gem h SER 143 CO 0.22 0.64 -0.31 0.11 -0.53 0.00 0.00 176.83 176.97 3gem h LYS 144 N 1.13 0.02 -2.29 2.24 1.57 -2.05 -3.40 116.57 113.80 3gem h LYS 144 Ca 0.41 -0.04 -0.75 0.00 -1.87 0.00 0.00 60.65 58.40 3gem h LYS 144 Cb 0.15 0.01 -0.31 0.00 0.08 0.00 0.00 32.23 32.17 3gem h LYS 144 CO -0.16 1.02 0.60 0.72 -0.57 0.00 0.00 179.45 181.06 3gem n HIS 145 N -4.53 3.07 0.11 -1.35 8.25 -1.23 -4.81 115.22 114.73 3gem n HIS 145 Ca -0.15 -2.93 -0.13 0.00 -0.26 0.00 0.00 57.72 54.25 3gem n HIS 145 Cb 0.55 -1.02 -0.08 0.00 1.12 0.00 0.00 29.99 30.55 3gem n HIS 145 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3gem h ILE 146 N 2.47 0.87 -0.28 1.59 2.04 -1.78 -0.44 117.51 121.99 3gem h ILE 146 Ca 0.42 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3gem h ILE 146 Cb 0.38 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3gem h ILE 146 CO 1.10 0.12 0.09 0.00 0.00 0.00 0.00 178.15 179.45 3gem h ALA 147 N 0.17 0.36 -0.13 1.87 0.00 -1.91 -1.03 119.26 118.59 3gem h ALA 147 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3gem h ALA 147 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3gem h ALA 147 CO 0.05 -0.01 -0.14 -0.92 0.00 0.00 0.00 179.25 178.23 3gem h TYR 148 N 0.28 -0.34 -0.47 0.00 3.20 -1.89 -1.82 116.97 115.94 3gem h TYR 148 Ca 0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3gem h TYR 148 Cb 0.24 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3gem h TYR 148 CO 0.00 -0.20 0.25 0.00 -1.64 0.00 0.00 178.16 176.58 3gem h ALA 150 N 1.23 1.30 -0.30 0.00 0.00 -0.87 -0.12 119.26 120.49 3gem h ALA 150 Ca 0.20 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gem h ALA 150 Cb 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3gem h ALA 150 CO -0.12 0.64 -0.19 1.79 0.00 0.00 0.00 179.25 181.38 3gem h THR 151 N 1.34 1.25 -0.30 0.00 1.35 -0.84 -1.71 112.91 114.01 3gem h THR 151 Ca 0.37 -1.19 -0.16 0.00 -0.55 0.00 0.00 66.41 64.88 3gem h THR 151 Cb -0.13 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 3gem h THR 151 CO -0.09 0.39 -0.46 0.11 -0.25 0.00 0.00 175.52 175.22 3gem h LYS 152 N 0.50 0.79 -0.66 4.72 1.79 -0.56 -1.65 116.57 121.51 3gem h LYS 152 Ca 0.08 -0.45 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 3gem h LYS 152 Cb 0.61 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 3gem h LYS 152 CO 0.04 1.08 0.22 0.00 -1.08 0.00 0.00 179.45 179.71 3gem h ALA 153 N 0.85 1.14 -0.68 3.86 0.00 -0.85 -1.68 119.26 121.90 3gem h ALA 153 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gem h ALA 153 Cb 1.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3gem h ALA 153 CO 0.10 0.60 0.34 0.78 0.00 0.00 0.00 179.25 181.07 3gem h GLY 154 N 1.06 1.04 0.81 0.00 0.00 -1.09 -2.14 103.07 102.75 3gem h GLY 154 Ca 0.22 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 47.08 3gem h GLY 154 CO -0.01 0.48 0.34 -2.00 0.00 0.00 0.00 176.54 175.35 3gem h LEU 155 N 0.94 0.53 -1.54 3.11 5.85 -1.07 -2.23 115.31 120.89 3gem h LEU 155 Ca 0.23 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3gem h LEU 155 Cb 0.10 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3gem h LEU 155 CO -0.03 0.36 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.06 3gem h GLU 156 N 0.65 0.25 -0.73 1.25 5.08 -0.94 -1.67 114.58 118.48 3gem h GLU 156 Ca 0.24 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3gem h GLU 156 Cb 0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3gem h GLU 156 CO -0.13 0.31 0.26 1.03 -1.00 0.00 0.00 179.01 179.49 3gem h SER 157 N 0.24 1.01 -0.31 1.42 0.87 -0.81 -2.43 113.55 113.55 3gem h SER 157 Ca 0.06 -0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3gem h SER 157 Cb 0.23 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3gem h SER 157 CO 0.01 0.92 0.23 -0.07 -0.53 0.00 0.00 176.83 177.39 3gem h LEU 158 N 1.06 0.00 0.27 2.23 3.38 -0.88 -1.56 115.31 119.82 3gem h LEU 158 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3gem h LEU 158 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gem h LEU 158 CO -0.02 0.00 -0.13 0.74 0.09 0.00 0.00 178.44 179.12 3gem h THR 159 N 0.00 0.75 -0.29 0.22 2.02 -1.34 0.13 112.91 114.40 3gem h THR 159 Ca 0.15 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3gem h THR 159 Cb 0.60 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3gem h THR 159 CO -0.00 0.02 0.18 -0.07 0.37 0.00 0.00 175.52 176.02 3gem h LEU 160 N -0.41 0.31 -0.11 2.58 3.38 -1.37 -0.94 115.31 118.74 3gem h LEU 160 Ca -0.04 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3gem h LEU 160 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gem h LEU 160 CO 0.06 0.22 -0.21 0.28 0.09 0.00 0.00 178.44 178.88 3gem h SER 161 N 0.37 0.37 0.52 -0.43 0.02 -1.28 -2.49 113.55 110.64 3gem h SER 161 Ca 0.11 -0.55 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 3gem h SER 161 Cb -0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3gem h SER 161 CO -0.04 0.86 -0.44 -0.26 -1.14 0.00 0.00 176.83 175.81 3gem h PHE 162 N -0.10 0.00 -0.68 3.45 0.04 -1.04 -1.83 116.94 116.79 3gem h PHE 162 Ca 0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.83 3gem h PHE 162 Cb 0.79 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 3gem h PHE 162 CO 0.11 0.44 0.39 0.00 -0.60 0.00 0.00 178.31 178.65 3gem h ALA 163 N 1.56 0.91 -0.13 2.45 0.00 -1.08 -0.26 119.26 122.70 3gem h ALA 163 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gem h ALA 163 Cb 0.82 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gem h ALA 163 CO 0.06 0.08 0.01 0.00 0.00 0.00 0.00 179.25 179.40 3gem h ALA 164 N 1.34 0.17 -0.24 0.00 0.00 -1.18 -2.80 119.26 116.55 3gem h ALA 164 Ca 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3gem h ALA 164 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gem h ALA 164 CO -0.17 -0.15 -0.03 -0.09 0.00 0.00 0.00 179.25 178.81 3gem h ARG 165 N -0.04 0.44 -0.01 0.00 2.43 -1.11 -3.27 114.38 112.83 3gem h ARG 165 Ca 0.04 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3gem h ARG 165 Cb 0.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3gem h ARG 165 CO 0.00 0.65 -0.21 1.19 -1.51 0.00 0.00 179.97 180.09 3gem n PHE 166 N -4.61 0.00 -1.94 2.20 3.01 -0.13 -4.85 117.46 111.14 3gem n PHE 166 Ca -0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.08 3gem n PHE 166 Cb 0.27 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3gem n PHE 166 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gem s ALA 167 N -2.42 2.52 -1.68 4.37 0.00 -1.06 -1.88 121.76 121.62 3gem s ALA 167 Ca 0.26 0.79 0.29 0.00 0.00 0.00 0.00 51.96 53.30 3gem s ALA 167 Cb 0.20 -3.38 1.21 0.00 0.00 0.00 0.00 23.12 21.14 3gem s ALA 167 CO 0.49 -1.15 1.85 -0.35 0.00 0.00 0.00 175.76 176.59 3gem n PRO 168 N -1.89 0.72 0.12 0.00 -0.04 -1.26 -4.88 135.00 127.76 3gem n PRO 168 Ca 0.12 -0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 3gem n PRO 168 Cb 0.51 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3gem n PRO 168 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3gem h LEU 169 N 0.63 0.00 -7.95 1.53 3.38 -1.82 -3.44 115.31 107.65 3gem h LEU 169 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3gem h LEU 169 Cb 0.36 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.77 3gem h LEU 169 CO 0.00 0.44 -0.81 -0.69 0.09 0.00 0.00 178.44 177.47 3gem s VAL 170 N -3.00 1.12 0.07 1.22 1.01 -0.79 -4.15 120.40 115.87 3gem s VAL 170 Ca 0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 3gem s VAL 170 Cb 0.08 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 3gem s VAL 170 CO 0.76 0.36 0.66 -0.54 0.00 0.00 0.00 175.10 176.34 3gem s LYS 171 N 0.80 4.38 -0.11 2.72 1.02 -0.54 -3.96 119.74 124.05 3gem s LYS 171 Ca -0.12 0.90 -0.01 0.00 0.02 0.00 0.00 55.97 56.76 3gem s LYS 171 Cb -0.15 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3gem s LYS 171 CO 0.02 0.48 -0.05 0.08 -0.92 0.00 0.00 175.35 174.96 3gem s VAL 172 N -0.64 0.85 0.22 3.17 1.01 -1.26 -0.15 120.40 123.59 3gem s VAL 172 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 3gem s VAL 172 Cb -0.20 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3gem s VAL 172 CO 0.21 0.30 0.19 0.20 0.00 0.00 0.00 175.10 175.99 3gem s ASN 173 N 1.78 0.30 0.17 3.32 0.01 -0.41 0.14 114.94 120.25 3gem s ASN 173 Ca 0.04 -1.38 0.08 0.00 -0.71 0.00 0.00 52.86 50.89 3gem s ASN 173 Cb -0.13 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.91 3gem s ASN 173 CO -0.07 -0.90 -0.16 -0.83 -1.51 0.00 0.00 177.10 173.62 3gem s GLY 174 N -3.17 1.35 -0.09 0.66 0.00 0.65 -0.69 107.32 106.03 3gem s GLY 174 Ca 0.37 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.61 3gem s GLY 174 CO 0.13 -1.58 -0.20 -0.42 0.00 0.00 0.00 173.10 171.03 3gem s ILE 175 N -2.40 1.73 -0.60 0.90 1.01 -0.16 -0.21 121.20 121.46 3gem s ILE 175 Ca 0.17 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3gem s ILE 175 Cb -0.04 -1.52 0.15 0.00 0.01 0.00 0.00 42.46 41.07 3gem s ILE 175 CO 0.06 0.49 0.38 0.00 0.00 0.00 0.00 174.94 175.87 3gem s ALA 176 N 0.46 3.51 0.38 9.38 0.00 0.35 -0.95 121.76 134.90 3gem s ALA 176 Ca -0.17 -3.37 -0.10 0.00 0.00 0.00 0.00 51.96 48.32 3gem s ALA 176 Cb -0.17 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 3gem s ALA 176 CO 0.07 -2.07 0.73 -1.25 0.00 0.00 0.00 175.76 173.24 3gem s PRO 177 N -0.41 3.77 -1.16 0.00 0.04 -1.26 -1.95 135.00 134.03 3gem s PRO 177 Ca 0.18 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.46 3gem s PRO 177 Cb -0.21 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 3gem s PRO 177 CO -0.03 0.02 2.11 0.00 0.04 0.00 0.00 177.00 179.13 3gem n ALA 178 N -1.17 4.60 -1.70 8.56 0.00 -0.56 -0.73 120.51 129.52 3gem n ALA 178 Ca 0.02 -3.62 -0.44 0.00 0.00 0.00 0.00 53.44 49.40 3gem n ALA 178 Cb 0.54 -3.58 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 3gem n ALA 178 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gem n LEU 179 N 6.65 3.64 -0.05 0.00 4.77 -1.26 -4.99 117.00 125.77 3gem n LEU 179 Ca 0.51 1.08 -0.06 0.00 -0.03 0.00 0.00 56.01 57.51 3gem n LEU 179 Cb 0.39 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 3gem n LEU 179 CO 0.96 -0.02 0.18 0.00 -1.33 0.00 0.00 177.39 177.18 3gem h ALA 188 N 6.24 -0.02 0.04 -1.18 0.00 -2.05 -3.52 119.26 118.78 3gem h ALA 188 Ca -0.44 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.27 3gem h ALA 188 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3gem h ALA 188 CO 0.91 -0.03 -0.13 0.00 0.00 0.00 0.00 179.25 180.01 3gem h ALA 189 N -0.57 -0.18 -0.71 0.00 0.00 -2.05 -0.36 119.26 115.39 3gem h ALA 189 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3gem h ALA 189 Cb 0.43 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3gem h ALA 189 CO 0.00 -0.63 0.33 -0.92 0.00 0.00 0.00 179.25 178.03 3gem h TYR 190 N -0.24 0.59 -0.18 0.00 3.20 -2.05 -1.59 116.97 116.71 3gem h TYR 190 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3gem h TYR 190 Cb 0.27 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3gem h TYR 190 CO -0.16 0.18 0.03 0.00 -1.64 0.00 0.00 178.16 176.57 3gem h ARG 191 N 0.55 0.29 -0.61 1.82 3.08 -1.93 -1.23 114.38 116.35 3gem h ARG 191 Ca 0.36 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.38 3gem h ARG 191 Cb 0.43 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 3gem h ARG 191 CO -0.30 0.46 0.33 0.00 -1.07 0.00 0.00 179.97 179.39 3gem h ALA 192 N 0.82 0.80 -0.17 0.04 0.00 -0.79 0.23 119.26 120.19 3gem h ALA 192 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gem h ALA 192 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gem h ALA 192 CO 0.00 0.00 0.01 -0.97 0.00 0.00 0.00 179.25 178.30 3gem h ASN 193 N 0.62 0.29 -0.59 0.00 -0.73 -1.31 -2.99 115.58 110.88 3gem h ASN 193 Ca 0.27 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 3gem h ASN 193 Cb 0.15 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 3gem h ASN 193 CO -0.17 0.51 0.28 0.00 -0.37 0.00 0.00 177.43 177.67 3gem h ALA 194 N 0.80 0.76 -0.18 1.57 0.00 -0.76 -2.19 119.26 119.25 3gem h ALA 194 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gem h ALA 194 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gem h ALA 194 CO 0.01 0.33 0.04 1.25 0.00 0.00 0.00 179.25 180.88 3gem h LEU 195 N 0.81 0.02 -1.58 0.00 5.85 -0.99 -0.82 115.31 118.61 3gem h LEU 195 Ca 0.20 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3gem h LEU 195 Cb 0.13 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3gem h LEU 195 CO -0.02 0.04 0.38 0.00 -0.34 0.00 0.00 178.44 178.50 3gem h ALA 196 N 1.13 1.88 0.00 1.25 0.00 -1.41 -1.27 119.26 120.84 3gem h ALA 196 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gem h ALA 196 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gem h ALA 196 CO -0.10 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.80 3gem n LYS 197 N -4.47 0.15 -2.73 0.00 5.02 -0.55 -4.84 118.16 110.73 3gem n LYS 197 Ca 0.08 0.15 -0.33 0.00 -2.02 0.00 0.00 58.31 56.19 3gem n LYS 197 Cb 0.26 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3gem n LYS 197 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gem s SER 198 N -3.86 6.86 0.08 4.39 1.04 -0.42 -4.42 113.70 117.38 3gem s SER 198 Ca 0.11 1.68 -0.15 0.00 0.48 0.00 0.00 55.95 58.07 3gem s SER 198 Cb 0.15 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.59 3gem s SER 198 CO 0.54 -0.42 1.32 0.00 0.98 0.00 0.00 173.24 175.66 3gem h ALA 199 N 1.72 0.31 0.00 5.32 0.00 -1.01 -3.33 119.26 122.27 3gem h ALA 199 Ca -0.49 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 3gem h ALA 199 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gem h ALA 199 CO 0.61 0.53 -0.41 -0.07 0.00 0.00 0.00 179.25 179.90 3gem h LEU 200 N 0.40 0.00 1.78 0.00 3.38 -1.58 -3.48 115.31 115.80 3gem h LEU 200 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 3gem h LEU 200 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3gem h LEU 200 CO 0.12 0.13 -0.41 0.61 0.09 0.00 0.00 178.44 178.98 3gem n GLY 201 N 1.16 -0.25 3.34 0.83 0.00 -1.25 -5.01 105.19 104.01 3gem n GLY 201 Ca 0.02 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3gem n GLY 201 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gem s ILE 202 N -2.83 1.97 -0.20 -0.61 -4.36 -1.26 -5.07 121.20 108.84 3gem s ILE 202 Ca 0.06 -1.68 -0.23 0.00 -0.26 0.00 0.00 60.65 58.53 3gem s ILE 202 Cb -0.03 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.88 3gem s ILE 202 CO 0.07 -0.02 0.76 -1.61 0.24 0.00 0.00 174.94 174.38 3gem s GLU 203 N -2.07 4.23 0.50 0.37 2.02 -1.26 -5.00 118.70 117.49 3gem s GLU 203 Ca 0.11 0.85 -0.18 0.00 0.02 0.00 0.00 54.97 55.77 3gem s GLU 203 Cb -0.10 -3.60 -0.08 0.00 0.10 0.00 0.00 34.13 30.46 3gem s GLU 203 CO 0.05 -0.35 0.99 -1.25 0.02 0.00 0.00 175.26 174.72 3gem s PRO 204 N 2.27 3.92 0.35 0.39 0.04 -1.26 -5.08 135.00 135.63 3gem s PRO 204 Ca 0.34 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.52 3gem s PRO 204 Cb -0.16 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3gem s PRO 204 CO 0.10 -0.30 0.40 0.20 0.04 0.00 0.00 177.00 177.44 3gem s GLY 205 N -2.71 1.77 0.55 0.56 0.00 -1.26 -5.00 107.32 101.23 3gem s GLY 205 Ca 0.61 -1.61 0.36 0.00 0.00 0.00 0.00 44.72 44.08 3gem s GLY 205 CO 0.26 -1.51 2.11 0.00 0.00 0.00 0.00 173.10 173.97 3gem h ALA 206 N 1.02 1.02 -0.37 3.20 0.00 -1.96 -2.54 119.26 119.64 3gem h ALA 206 Ca -0.44 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3gem h ALA 206 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3gem h ALA 206 CO 0.55 -0.02 0.25 1.49 0.00 0.00 0.00 179.25 181.52 3gem h GLU 207 N 0.00 0.24 -0.94 0.00 4.57 -1.96 -1.08 114.58 115.42 3gem h GLU 207 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3gem h GLU 207 Cb 0.05 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3gem h GLU 207 CO 0.00 0.16 0.61 -0.39 -1.18 0.00 0.00 179.01 178.21 3gem h VAL 208 N 0.25 1.04 -0.07 0.32 -1.51 -1.87 -0.63 116.25 113.78 3gem h VAL 208 Ca 0.16 -0.36 -0.22 0.00 -1.23 0.00 0.00 66.70 65.06 3gem h VAL 208 Cb 0.33 -0.09 0.01 0.00 -2.13 0.00 0.00 31.29 29.41 3gem h VAL 208 CO -0.03 0.19 -0.85 0.40 -1.23 0.00 0.00 177.57 176.05 3gem h ILE 209 N 1.04 1.33 -0.78 7.19 1.08 -1.41 -2.79 117.51 123.17 3gem h ILE 209 Ca 0.42 -2.17 0.04 0.00 -0.39 0.00 0.00 64.86 62.76 3gem h ILE 209 Cb 0.27 2.18 -0.05 0.00 -3.07 0.00 0.00 36.82 36.14 3gem h ILE 209 CO -0.17 0.67 0.49 0.22 -0.69 0.00 0.00 178.15 178.66 3gem h TYR 210 N 0.38 0.91 -0.85 1.37 3.20 -1.02 -0.09 116.97 120.87 3gem h TYR 210 Ca -0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3gem h TYR 210 Cb 1.47 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 3gem h TYR 210 CO 0.07 0.50 0.42 1.96 -1.64 0.00 0.00 178.16 179.47 3gem h GLN 211 N 0.94 1.22 -0.48 1.82 1.08 -1.12 0.18 115.11 118.75 3gem h GLN 211 Ca 0.32 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 3gem h GLN 211 Cb 0.06 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3gem h GLN 211 CO -0.13 0.93 0.26 0.77 -0.95 0.00 0.00 178.83 179.71 3gem h SER 212 N 1.21 0.59 -0.78 1.46 0.02 -1.19 -1.03 113.55 113.84 3gem h SER 212 Ca 0.29 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3gem h SER 212 Cb 0.11 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3gem h SER 212 CO -0.04 0.51 0.51 0.25 -1.14 0.00 0.00 176.83 176.93 3gem h LEU 213 N 0.63 0.88 -0.74 5.07 5.85 -0.39 -1.65 115.31 124.95 3gem h LEU 213 Ca 0.17 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3gem h LEU 213 Cb 0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3gem h LEU 213 CO -0.03 0.63 0.27 0.03 -0.34 0.00 0.00 178.44 179.00 3gem h ARG 214 N 1.03 1.13 -0.26 1.25 2.47 -0.77 0.16 114.38 119.39 3gem h ARG 214 Ca 0.29 -0.22 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3gem h ARG 214 Cb -0.09 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.04 3gem h ARG 214 CO -0.07 0.94 0.16 -0.92 0.56 0.00 0.00 179.97 180.64 3gem h TYR 215 N 1.08 0.31 -0.16 3.04 3.20 -0.72 -0.25 116.97 123.48 3gem h TYR 215 Ca 0.24 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3gem h TYR 215 Cb 0.25 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3gem h TYR 215 CO 0.02 0.19 0.00 -0.07 -1.64 0.00 0.00 178.16 176.67 3gem h LEU 216 N 0.34 0.27 -0.98 2.82 3.38 -0.95 -1.72 115.31 118.46 3gem h LEU 216 Ca 0.10 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3gem h LEU 216 Cb -0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3gem h LEU 216 CO -0.03 0.50 0.64 -0.07 0.09 0.00 0.00 178.44 179.57 3gem h LEU 217 N 0.02 1.14 0.00 1.67 3.38 -0.51 -2.89 115.31 118.13 3gem h LEU 217 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gem h LEU 217 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gem h LEU 217 CO 0.01 0.83 -0.35 0.47 0.09 0.00 0.00 178.44 179.49 3gem n ASP 218 N -4.39 0.55 -4.83 -0.43 8.00 -0.12 -4.87 116.55 110.46 3gem n ASP 218 Ca 0.11 0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 3gem n ASP 218 Cb 0.02 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 40.98 3gem n ASP 218 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gem s SER 219 N -3.78 5.96 -0.00 -2.24 1.04 -0.65 -4.99 113.70 109.02 3gem s SER 219 Ca 0.10 1.64 0.03 0.00 0.48 0.00 0.00 55.95 58.20 3gem s SER 219 Cb 0.15 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 3gem s SER 219 CO 0.65 -1.05 0.08 0.35 0.98 0.00 0.00 173.24 174.26 3gem n THR 220 N -2.34 0.00 -1.40 2.02 -2.24 -1.26 -4.78 114.28 104.28 3gem n THR 220 Ca 0.07 -0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 3gem n THR 220 Cb 0.53 0.50 0.12 0.00 -2.10 0.00 0.00 70.33 69.38 3gem n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gem n TYR 221 N -1.55 0.00 -4.10 4.78 9.36 -1.26 -4.99 117.16 119.41 3gem n TYR 221 Ca -0.00 -0.84 -0.32 0.00 3.32 0.00 0.00 57.90 60.05 3gem n TYR 221 Cb 0.08 -0.14 -0.16 0.00 -0.63 0.00 0.00 39.34 38.49 3gem n TYR 221 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3gem s VAL 222 N -2.21 2.02 0.05 2.97 1.01 -1.26 -5.10 120.40 117.88 3gem s VAL 222 Ca 0.26 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3gem s VAL 222 Cb 0.24 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.74 3gem s VAL 222 CO 0.00 0.40 0.34 0.28 0.00 0.00 0.00 175.10 176.12 3gem s THR 223 N 1.27 0.08 -0.26 3.92 -1.32 -1.26 -4.64 115.64 113.43 3gem s THR 223 Ca 0.02 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 3gem s THR 223 Cb -0.15 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 3gem s THR 223 CO -0.11 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.57 3gem n GLY 224 N 0.51 0.56 3.74 6.08 0.00 0.12 -4.95 105.19 111.24 3gem n GLY 224 Ca -0.18 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 3gem n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gem s THR 225 N -1.93 3.73 -0.07 2.61 -4.23 -1.26 -4.71 115.64 109.78 3gem s THR 225 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3gem s THR 225 Cb 0.00 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3gem s THR 225 CO 0.00 -0.31 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.83 3gem s THR 226 N -2.28 0.71 -0.04 3.99 2.01 -1.26 -0.25 115.64 118.53 3gem s THR 226 Ca 0.34 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 3gem s THR 226 Cb -0.06 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 3gem s THR 226 CO 0.23 0.29 0.84 -0.76 -0.69 0.00 0.00 174.62 174.53 3gem s LEU 227 N 1.42 4.34 -0.26 4.42 1.43 0.70 -4.91 118.68 125.81 3gem s LEU 227 Ca -0.02 1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 3gem s LEU 227 Cb -0.13 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3gem s LEU 227 CO -0.03 -0.19 0.41 -0.89 0.23 0.00 0.00 176.35 175.87 3gem s THR 228 N 0.94 5.15 -0.51 5.49 2.01 -1.26 -0.49 115.64 126.97 3gem s THR 228 Ca 0.45 0.65 0.03 0.00 0.31 0.00 0.00 61.69 63.13 3gem s THR 228 Cb -0.19 -3.73 0.14 0.00 0.01 0.00 0.00 72.50 68.72 3gem s THR 228 CO 0.23 0.14 0.28 -0.69 -0.69 0.00 0.00 174.62 173.90 3gem s VAL 229 N 2.09 2.04 0.00 3.82 1.01 -0.82 -4.92 120.40 123.62 3gem s VAL 229 Ca 0.17 -3.10 0.00 0.00 0.00 0.00 0.00 61.98 59.05 3gem s VAL 229 Cb -0.16 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3gem s VAL 229 CO 0.10 -0.88 0.45 -0.46 0.00 0.00 0.00 175.10 174.31 3gem n ASN 230 N 3.13 0.00 -1.76 3.32 6.94 -1.26 -1.49 115.26 124.14 3gem n ASN 230 Ca 0.09 -1.19 -0.19 0.00 -0.02 0.00 0.00 54.58 53.27 3gem n ASN 230 Cb 0.34 -0.04 -0.07 0.00 -2.36 0.00 0.00 39.78 37.66 3gem n ASN 230 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gem n GLY 231 N 0.00 1.29 2.16 4.83 0.00 -1.26 -1.52 105.19 110.69 3gem n GLY 231 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3gem n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gem n GLY 232 N -0.50 0.26 0.31 -0.02 0.00 -1.26 -0.78 105.19 103.21 3gem n GLY 232 Ca -0.20 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.37 3gem n GLY 232 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gem h ARG 233 N 0.00 0.30 0.00 1.61 2.43 -1.48 -0.87 114.38 116.37 3gem h ARG 233 Ca -0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3gem h ARG 233 Cb 0.99 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3gem h ARG 233 CO 0.22 0.20 0.00 -2.39 -1.51 0.00 0.00 179.97 176.49 3gem n HIS 234 N -5.12 0.52 0.59 2.20 1.44 -1.26 -3.18 115.22 110.40 3gem n HIS 234 Ca 0.23 0.20 0.07 0.00 -2.01 0.00 0.00 57.72 56.21 3gem n HIS 234 Cb 0.72 -0.82 -0.08 0.00 0.12 0.00 0.00 29.99 29.92 3gem n HIS 234 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3gem n VAL 235 N -1.97 0.00 1.54 0.61 0.24 -0.34 -5.17 118.33 113.24 3gem n VAL 235 Ca 0.03 -0.19 0.12 0.00 -2.04 0.00 0.00 64.34 62.26 3gem n VAL 235 Cb 0.22 0.92 0.73 0.00 -1.47 0.00 0.00 33.84 34.24 3gem n VAL 235 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86