#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gem s SER 4 N 0.00 6.10 0.02 -1.43 0.15 -1.26 -4.93 113.70 112.35 3gem s SER 4 Ca 0.00 2.81 0.27 0.00 0.70 0.00 0.00 55.95 59.73 3gem s SER 4 Cb 0.00 -2.65 0.89 0.00 -1.71 0.00 0.00 66.02 62.55 3gem s SER 4 CO 0.00 -1.01 1.69 -0.24 1.20 0.00 0.00 173.24 174.88 3gem n SER 5 N -0.01 0.27 -4.75 5.45 2.88 -1.26 -4.71 113.62 111.49 3gem n SER 5 Ca 0.04 0.19 -0.40 0.00 -1.33 0.00 0.00 58.87 57.37 3gem n SER 5 Cb 0.42 -0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 3gem n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gem s ALA 6 N -3.01 3.37 0.69 -1.46 0.00 -1.26 -4.83 121.76 115.26 3gem s ALA 6 Ca 0.12 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 3gem s ALA 6 Cb 0.18 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3gem s ALA 6 CO 0.61 -0.04 1.06 -1.25 0.00 0.00 0.00 175.76 176.14 3gem s PRO 7 N -1.01 2.90 -0.21 0.00 0.04 -1.26 -3.98 135.00 131.47 3gem s PRO 7 Ca 0.45 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 3gem s PRO 7 Cb -0.29 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 3gem s PRO 7 CO 0.36 -1.13 0.12 0.42 0.04 0.00 0.00 177.00 176.80 3gem s ILE 8 N -2.97 5.11 -0.13 0.56 1.01 -0.27 -0.31 121.20 124.20 3gem s ILE 8 Ca 0.59 0.09 -0.20 0.00 0.00 0.00 0.00 60.65 61.13 3gem s ILE 8 Cb -0.15 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3gem s ILE 8 CO 0.53 0.40 0.57 -0.22 0.00 0.00 0.00 174.94 176.23 3gem s LEU 9 N 0.72 4.25 -0.17 2.97 2.96 -0.51 -0.41 118.68 128.48 3gem s LEU 9 Ca 0.06 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 3gem s LEU 9 Cb -0.13 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.75 3gem s LEU 9 CO 0.02 -0.11 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.31 3gem s ILE 10 N 1.05 1.60 0.51 6.68 2.07 -0.13 -0.26 121.20 132.72 3gem s ILE 10 Ca 0.29 -0.82 -0.18 0.00 -1.41 0.00 0.00 60.65 58.54 3gem s ILE 10 Cb -0.16 -1.59 -0.08 0.00 0.13 0.00 0.00 42.46 40.76 3gem s ILE 10 CO 0.12 0.31 0.99 0.42 -1.91 0.00 0.00 174.94 174.87 3gem s THR 11 N 1.44 4.37 -1.45 4.00 -4.23 -0.71 -2.75 115.64 116.31 3gem s THR 11 Ca 0.02 1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 61.66 3gem s THR 11 Cb -0.15 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.11 3gem s THR 11 CO -0.09 -0.57 0.86 0.61 -0.54 0.00 0.00 174.62 174.89 3gem n GLY 12 N -1.24 -0.41 0.08 3.99 0.00 -1.10 -2.66 105.19 103.85 3gem n GLY 12 Ca 0.07 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.54 2.55 1.08 4.61 0.00 -0.99 -2.50 120.51 120.73 3gem n ALA 13 Ca -0.09 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.35 3gem n ALA 13 Cb 0.58 -1.15 0.48 0.00 0.00 0.00 0.00 19.45 19.37 3gem n ALA 13 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gem n SER 14 N -0.51 0.28 -4.77 0.00 3.41 -1.26 -2.21 113.62 108.55 3gem n SER 14 Ca 0.08 0.01 -0.37 0.00 -0.26 0.00 0.00 58.87 58.33 3gem n SER 14 Cb 0.07 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3gem n SER 14 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3gem s GLN 15 N -2.89 3.87 0.21 4.33 -0.21 -1.04 -4.75 119.66 119.18 3gem s GLN 15 Ca 0.16 1.80 -0.17 0.00 0.02 0.00 0.00 55.36 57.17 3gem s GLN 15 Cb 0.19 -2.51 0.21 0.00 1.00 0.00 0.00 33.01 31.90 3gem s GLN 15 CO 0.58 -0.47 1.58 -0.09 -2.12 0.00 0.00 175.29 174.77 3gem h ARG 16 N 2.27 -0.07 -0.34 2.91 2.43 -1.91 0.18 114.38 119.85 3gem h ARG 16 Ca -0.49 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3gem h ARG 16 Cb 1.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3gem h ARG 16 CO 0.61 -0.05 -0.00 0.28 -1.51 0.00 0.00 179.97 179.30 3gem h VAL 17 N -0.08 1.26 -0.79 0.20 2.07 -1.94 -2.20 116.25 114.77 3gem h VAL 17 Ca 0.31 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3gem h VAL 17 Cb 0.58 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3gem h VAL 17 CO -0.81 0.32 0.35 1.23 0.02 0.00 0.00 177.57 178.69 3gem h GLY 18 N 0.40 1.23 0.73 2.17 0.00 -1.67 -1.77 103.07 104.17 3gem h GLY 18 Ca 0.10 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3gem h GLY 18 CO 0.02 0.60 -0.01 -2.00 0.00 0.00 0.00 176.54 175.14 3gem h LEU 19 N 1.13 -0.02 -0.11 3.11 5.85 -0.19 -1.28 115.31 123.81 3gem h LEU 19 Ca 0.27 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3gem h LEU 19 Cb 0.15 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3gem h LEU 19 CO -0.03 0.25 -0.08 -0.74 -0.34 0.00 0.00 178.44 177.50 3gem h HIS 20 N -0.29 -0.18 -0.59 1.25 2.76 -1.23 -0.80 115.15 116.06 3gem h HIS 20 Ca -0.00 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3gem h HIS 20 Cb 0.28 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 3gem h HIS 20 CO 0.02 -0.12 0.31 0.00 -1.30 0.00 0.00 177.93 176.84 3gem h ALA 22 N 1.32 0.48 -0.75 0.00 0.00 -0.91 -0.05 119.26 119.34 3gem h ALA 22 Ca 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gem h ALA 22 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gem h ALA 22 CO -0.18 0.04 0.35 -0.07 0.00 0.00 0.00 179.25 179.38 3gem h LEU 23 N 0.46 1.00 -0.54 0.00 3.38 -0.83 -1.47 115.31 117.30 3gem h LEU 23 Ca 0.13 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3gem h LEU 23 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3gem h LEU 23 CO -0.02 0.86 -0.39 0.03 0.09 0.00 0.00 178.44 179.02 3gem h ARG 24 N 1.07 0.75 -0.69 1.13 2.47 -0.96 -0.91 114.38 117.24 3gem h ARG 24 Ca 0.26 -0.38 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3gem h ARG 24 Cb 0.14 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 3gem h ARG 24 CO -0.03 1.00 0.35 -0.07 0.56 0.00 0.00 179.97 181.78 3gem h LEU 25 N 0.62 0.88 -0.20 3.04 3.38 -0.75 0.11 115.31 122.40 3gem h LEU 25 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gem h LEU 25 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3gem h LEU 25 CO 0.09 0.75 0.12 -0.07 0.09 0.00 0.00 178.44 179.42 3gem h LEU 26 N 0.95 0.24 -0.77 1.67 3.38 -1.04 -1.59 115.31 118.15 3gem h LEU 26 Ca 0.24 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.25 3gem h LEU 26 Cb 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3gem h LEU 26 CO -0.03 0.23 0.40 -0.08 0.09 0.00 0.00 178.44 179.05 3gem h GLU 27 N 0.24 0.63 0.00 1.13 4.81 -0.89 -1.92 114.58 118.57 3gem h GLU 27 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3gem h GLU 27 Cb 0.04 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3gem h GLU 27 CO -0.01 0.42 -0.05 1.25 -0.73 0.00 0.00 179.01 179.89 3gem h HIS 28 N 0.65 0.00 0.00 0.92 2.76 -0.38 -3.47 115.15 115.63 3gem h HIS 28 Ca 0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 3gem h HIS 28 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3gem h HIS 28 CO -0.09 0.05 0.00 0.41 -1.30 0.00 0.00 177.93 176.99 3gem n GLY 29 N -1.14 0.85 3.77 5.26 0.00 -0.72 -5.09 105.19 108.11 3gem n GLY 29 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 3.42 0.34 1.61 3.76 -0.65 -5.00 115.29 116.77 3gem s HIS 30 Ca 0.00 1.67 -0.27 0.00 -0.15 0.00 0.00 55.06 56.32 3gem s HIS 30 Cb 0.00 -3.22 -0.09 0.00 1.11 0.00 0.00 32.58 30.38 3gem s HIS 30 CO 0.00 -0.62 1.07 1.03 -0.85 0.00 0.00 174.74 175.37 3gem s ARG 31 N -1.94 4.40 -0.03 1.40 0.52 -1.26 -4.26 118.95 117.78 3gem s ARG 31 Ca 0.51 1.64 0.01 0.00 -0.52 0.00 0.00 55.73 57.37 3gem s ARG 31 Cb -0.28 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.35 3gem s ARG 31 CO 0.35 0.04 -0.05 0.08 0.02 0.00 0.00 175.30 175.75 3gem s VAL 32 N -1.42 0.50 -0.07 3.52 1.01 -1.26 -1.12 120.40 121.57 3gem s VAL 32 Ca 0.51 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.36 3gem s VAL 32 Cb -0.27 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3gem s VAL 32 CO 0.34 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 3gem s ILE 33 N 0.60 3.45 0.15 2.22 1.01 0.45 -1.41 121.20 127.66 3gem s ILE 33 Ca -0.08 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.10 3gem s ILE 33 Cb -0.11 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3gem s ILE 33 CO 0.00 0.59 -0.23 0.27 0.00 0.00 0.00 174.94 175.57 3gem s ILE 34 N -0.71 2.10 0.09 2.92 -5.25 0.11 -0.95 121.20 119.50 3gem s ILE 34 Ca 0.11 -1.82 0.02 0.00 -0.99 0.00 0.00 60.65 57.97 3gem s ILE 34 Cb -0.11 -1.92 -0.04 0.00 2.95 0.00 0.00 42.46 43.34 3gem s ILE 34 CO 0.01 -0.07 0.17 -0.94 -1.79 0.00 0.00 174.94 172.32 3gem s SER 35 N -2.31 6.01 0.02 4.36 1.04 -1.11 -1.11 113.70 120.59 3gem s SER 35 Ca 0.15 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.64 3gem s SER 35 Cb -0.09 -1.75 -0.00 0.00 0.10 0.00 0.00 66.02 64.28 3gem s SER 35 CO 0.07 0.15 0.13 -0.72 0.98 0.00 0.00 173.24 173.84 3gem s TYR 36 N -1.52 0.09 -0.19 5.02 -0.85 -0.55 -2.35 117.35 117.00 3gem s TYR 36 Ca 0.33 -0.26 0.07 0.00 -0.52 0.00 0.00 57.07 56.69 3gem s TYR 36 Cb -0.12 -0.07 -0.09 0.00 0.38 0.00 0.00 41.96 42.06 3gem s TYR 36 CO 0.26 -0.32 0.23 2.89 -1.52 0.00 0.00 175.55 177.09 3gem n ARG 37 N 1.19 2.93 -3.73 -3.49 1.85 -1.26 -0.66 116.66 113.49 3gem n ARG 37 Ca -0.21 -0.03 -0.15 0.00 -1.00 0.00 0.00 57.85 56.46 3gem n ARG 37 Cb 0.57 -0.96 -0.15 0.00 -1.05 0.00 0.00 32.46 30.87 3gem n ARG 37 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3gem s THR 38 N -1.98 -0.10 0.15 8.89 2.01 -1.26 -4.97 115.64 118.39 3gem s THR 38 Ca 0.00 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 3gem s THR 38 Cb 0.05 -0.23 -0.10 0.00 0.01 0.00 0.00 72.50 72.22 3gem s THR 38 CO 0.28 0.10 1.65 -0.70 -0.69 0.00 0.00 174.62 175.26 3gem s GLU 39 N 1.44 4.18 0.19 4.92 2.56 -1.26 -4.85 118.70 125.88 3gem s GLU 39 Ca -0.06 2.44 -0.21 0.00 0.00 0.00 0.00 54.97 57.14 3gem s GLU 39 Cb -0.12 -3.26 0.05 0.00 2.00 0.00 0.00 34.13 32.80 3gem s GLU 39 CO -0.06 -0.69 0.61 -1.58 -0.56 0.00 0.00 175.26 172.98 3gem s HIS 40 N 1.60 -0.38 0.36 5.30 5.65 -1.26 -5.01 115.29 121.54 3gem s HIS 40 Ca 0.73 0.09 0.11 0.00 0.25 0.00 0.00 55.06 56.24 3gem s HIS 40 Cb -0.45 0.56 0.88 0.00 -1.18 0.00 0.00 32.58 32.39 3gem s HIS 40 CO 0.32 -0.95 1.83 0.00 -0.65 0.00 0.00 174.74 175.30 3gem h ALA 41 N 2.04 1.90 -0.20 1.58 0.00 -1.99 0.05 119.26 122.64 3gem h ALA 41 Ca -0.30 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3gem h ALA 41 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3gem h ALA 41 CO 0.35 -0.21 -0.06 0.66 0.00 0.00 0.00 179.25 180.00 3gem h SER 42 N 0.63 0.28 -0.20 0.00 4.64 -1.96 0.19 113.55 117.14 3gem h SER 42 Ca 0.50 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.67 3gem h SER 42 Cb 0.94 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3gem h SER 42 CO -0.26 0.38 -0.31 0.58 -0.87 0.00 0.00 176.83 176.36 3gem h VAL 43 N 0.29 1.33 -0.72 0.95 2.07 -1.33 -0.70 116.25 118.15 3gem h VAL 43 Ca 0.06 -1.52 0.10 0.00 0.82 0.00 0.00 66.70 66.16 3gem h VAL 43 Cb 0.29 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 3gem h VAL 43 CO 0.01 0.47 0.36 0.74 0.02 0.00 0.00 177.57 179.16 3gem h THR 44 N 0.22 0.83 -0.36 2.57 2.02 -1.05 0.17 112.91 117.31 3gem h THR 44 Ca 0.02 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3gem h THR 44 Cb 0.89 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3gem h THR 44 CO 0.07 0.11 0.20 -0.08 0.37 0.00 0.00 175.52 176.19 3gem h GLU 45 N 0.59 0.39 -0.67 6.66 4.81 -0.32 -0.01 114.58 126.04 3gem h GLU 45 Ca 0.36 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3gem h GLU 45 Cb 0.40 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3gem h GLU 45 CO -0.28 0.26 0.29 -0.07 -0.73 0.00 0.00 179.01 178.48 3gem h LEU 46 N 0.40 0.90 -0.47 1.64 3.38 -0.58 -1.31 115.31 119.27 3gem h LEU 46 Ca 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3gem h LEU 46 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3gem h LEU 46 CO -0.08 0.81 0.17 0.03 0.09 0.00 0.00 178.44 179.45 3gem h ARG 47 N 0.94 0.72 0.00 1.13 3.08 -0.33 -0.04 114.38 119.88 3gem h ARG 47 Ca 0.23 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3gem h ARG 47 Cb 0.17 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gem h ARG 47 CO -0.02 0.67 -0.10 1.96 -1.07 0.00 0.00 179.97 181.40 3gem h GLN 48 N 0.63 0.00 -0.00 0.04 1.08 -0.76 -2.04 115.11 114.05 3gem h GLN 48 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3gem h GLN 48 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3gem h GLN 48 CO -0.01 0.10 -0.24 0.00 -0.95 0.00 0.00 178.83 177.74 3gem n ALA 49 N -2.43 2.91 0.00 3.87 0.00 -0.51 -4.93 120.51 119.42 3gem n ALA 49 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3gem n ALA 49 Cb 0.19 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.50 0.95 3.77 0.00 0.00 -0.77 -4.94 105.19 105.70 3gem n GLY 50 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 3.20 -0.19 4.61 0.00 -0.08 -4.68 121.76 122.63 3gem s ALA 51 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 3gem s ALA 51 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3gem s ALA 51 CO 0.00 -0.09 0.82 0.08 0.00 0.00 0.00 175.76 176.57 3gem s VAL 52 N -1.51 4.88 -0.37 0.00 1.01 -0.50 -4.33 120.40 119.58 3gem s VAL 52 Ca 0.52 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.97 3gem s VAL 52 Cb -0.24 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.04 3gem s VAL 52 CO 0.30 0.01 0.22 0.00 0.00 0.00 0.00 175.10 175.63 3gem s ALA 53 N 2.29 3.33 -0.15 5.51 0.00 -1.26 0.04 121.76 131.51 3gem s ALA 53 Ca 0.37 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 3gem s ALA 53 Cb -0.16 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 3gem s ALA 53 CO 0.11 -1.30 -0.06 -0.51 0.00 0.00 0.00 175.76 174.00 3gem s LEU 54 N 1.59 3.13 0.33 0.00 1.43 -0.27 -5.00 118.68 119.90 3gem s LEU 54 Ca 0.03 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 3gem s LEU 54 Cb -0.19 -1.74 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 3gem s LEU 54 CO 0.07 0.17 1.50 -0.47 0.23 0.00 0.00 176.35 177.85 3gem s TYR 55 N 0.38 2.72 -0.24 0.29 5.04 -1.26 -1.48 117.35 122.78 3gem s TYR 55 Ca -0.06 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 3gem s TYR 55 Cb -0.15 -3.99 0.13 0.00 0.35 0.00 0.00 41.96 38.31 3gem s TYR 55 CO 0.04 -3.07 0.38 0.20 -1.34 0.00 0.00 175.55 171.76 3gem s GLY 56 N 0.08 -0.42 -0.46 8.97 0.00 0.16 -4.69 107.32 110.96 3gem s GLY 56 Ca 0.56 0.94 -0.12 0.00 0.00 0.00 0.00 44.72 46.11 3gem s GLY 56 CO 0.56 2.67 0.34 -0.35 0.00 0.00 0.00 173.10 176.32 3gem s ASP 57 N 2.55 5.85 -0.07 1.64 2.15 -1.26 -4.04 116.67 123.49 3gem s ASP 57 Ca 0.13 -1.58 0.12 0.00 0.43 0.00 0.00 52.55 51.64 3gem s ASP 57 Cb -0.15 -2.07 0.47 0.00 -0.30 0.00 0.00 42.92 40.86 3gem s ASP 57 CO -0.16 -0.64 1.32 0.49 -0.17 0.00 0.00 175.17 176.01 3gem n PHE 58 N 5.03 0.97 0.46 -5.34 3.72 -1.26 -3.11 117.46 117.93 3gem n PHE 58 Ca -0.11 -0.39 0.12 0.00 -0.05 0.00 0.00 57.45 57.03 3gem n PHE 58 Cb 0.42 -0.18 0.47 0.00 -0.94 0.00 0.00 39.48 39.25 3gem n PHE 58 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3gem n SER 59 N 0.64 0.75 -3.65 4.37 3.41 -1.26 -2.92 113.62 114.95 3gem n SER 59 Ca 0.17 0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3gem n SER 59 Cb 0.62 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 3gem n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gem h GLU 61 N 2.60 0.45 -0.47 0.00 4.81 -1.93 -1.92 114.58 118.13 3gem h GLU 61 Ca -0.33 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 3gem h GLU 61 Cb 1.24 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3gem h GLU 61 CO 0.46 0.30 0.02 1.79 -0.73 0.00 0.00 179.01 180.84 3gem h THR 62 N 0.46 1.23 -0.54 0.32 1.35 -1.96 -2.40 112.91 111.38 3gem h THR 62 Ca 0.41 -0.95 -0.11 0.00 -0.55 0.00 0.00 66.41 65.21 3gem h THR 62 Cb 0.60 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 3gem h THR 62 CO -0.39 0.34 -0.08 1.23 -0.25 0.00 0.00 175.52 176.37 3gem h GLY 63 N 0.96 1.07 -1.06 5.82 0.00 -1.60 0.06 103.07 108.32 3gem h GLY 63 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3gem h GLY 63 CO 0.02 0.77 0.00 1.39 0.00 0.00 0.00 176.54 178.71 3gem n ILE 64 N -4.15 0.01 0.00 2.60 5.41 -0.77 -1.48 119.36 120.98 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 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 0.42 0.00 -0.18 -1.39 0.00 0.01 -1.39 120.51 117.98 3gem n ALA 66 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3gem n ALA 66 Cb 0.06 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 0.72 -0.54 0.00 3.57 -1.52 -1.63 116.94 117.55 3gem h PHE 67 Ca 0.00 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3gem h PHE 67 Cb 0.00 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 3gem h PHE 67 CO 0.00 0.55 0.30 0.82 -2.23 0.00 0.00 178.31 177.75 3gem h ILE 68 N 0.68 0.99 -0.75 1.41 2.04 -1.50 0.32 117.51 120.70 3gem h ILE 68 Ca 0.18 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3gem h ILE 68 Cb 0.09 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3gem h ILE 68 CO -0.03 0.10 0.43 0.44 0.00 0.00 0.00 178.15 179.10 3gem h ASP 69 N 0.57 0.93 -0.40 1.72 3.32 -1.79 -1.04 116.42 119.74 3gem h ASP 69 Ca 0.23 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3gem h ASP 69 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3gem h ASP 69 CO -0.14 0.75 0.11 0.25 -1.72 0.00 0.00 179.24 178.49 3gem h LEU 70 N 1.04 0.60 -0.61 1.55 5.85 -0.47 -2.22 115.31 121.05 3gem h LEU 70 Ca 0.27 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3gem h LEU 70 Cb 0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3gem h LEU 70 CO -0.05 0.66 0.37 0.25 -0.34 0.00 0.00 178.44 179.33 3gem h LEU 71 N 0.51 0.58 -1.34 2.25 5.85 -0.11 -2.33 115.31 120.72 3gem h LEU 71 Ca 0.13 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3gem h LEU 71 Cb 0.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3gem h LEU 71 CO -0.00 0.40 -0.28 0.11 -0.34 0.00 0.00 178.44 178.33 3gem h LYS 72 N 0.71 0.00 -0.10 1.25 1.57 -0.96 -1.46 116.57 117.57 3gem h LYS 72 Ca 0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 3gem h LYS 72 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3gem h LYS 72 CO -0.12 0.28 -0.46 1.79 -0.57 0.00 0.00 179.45 180.37 3gem h THR 73 N 0.00 1.33 0.01 -0.16 1.35 -0.87 -3.28 112.91 111.28 3gem h THR 73 Ca -0.00 -1.65 -0.22 0.00 -0.55 0.00 0.00 66.41 63.99 3gem h THR 73 Cb 0.64 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3gem h THR 73 CO 0.04 0.49 -0.93 -0.61 -0.25 0.00 0.00 175.52 174.26 3gem h GLN 74 N 0.21 0.33 -2.60 4.72 5.75 -0.89 -3.47 115.11 119.16 3gem h GLN 74 Ca 0.01 -0.37 -0.10 0.00 -0.15 0.00 0.00 58.65 58.05 3gem h GLN 74 Cb 0.90 0.11 -0.21 0.00 1.07 0.00 0.00 27.48 29.34 3gem h GLN 74 CO 0.07 1.06 -0.12 -0.08 -2.65 0.00 0.00 178.83 177.11 3gem s THR 75 N -3.23 0.02 -2.51 2.39 -1.32 -0.89 -5.03 115.64 105.07 3gem s THR 75 Ca -0.05 -0.16 0.22 0.00 -1.21 0.00 0.00 61.69 60.49 3gem s THR 75 Cb 0.09 -0.73 0.29 0.00 -1.51 0.00 0.00 72.50 70.64 3gem s THR 75 CO 0.85 -0.09 1.28 -1.54 -2.21 0.00 0.00 174.62 172.91 3gem n SER 76 N 1.87 3.09 -3.85 8.08 3.41 -1.26 -4.52 113.62 120.45 3gem n SER 76 Ca -0.17 -1.94 -0.11 0.00 -0.26 0.00 0.00 58.87 56.38 3gem n SER 76 Cb 0.56 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.62 -0.01 -0.03 4.04 1.04 -1.26 -4.54 113.70 111.33 3gem s SER 77 Ca 0.31 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.55 3gem s SER 77 Cb 0.20 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3gem s SER 77 CO 0.28 -0.43 -0.03 -0.76 0.98 0.00 0.00 173.24 173.28 3gem s LEU 78 N -1.54 1.43 0.10 2.42 1.43 -0.38 -4.23 118.68 117.91 3gem s LEU 78 Ca -0.12 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 3gem s LEU 78 Cb -0.06 -0.35 -0.15 0.00 0.03 0.00 0.00 46.19 45.67 3gem s LEU 78 CO 0.01 -0.04 1.31 -0.09 0.23 0.00 0.00 176.35 177.76 3gem h ARG 79 N 6.94 0.77 -2.60 1.70 9.65 -0.79 -3.37 114.38 126.68 3gem h ARG 79 Ca -0.38 -0.60 -0.00 0.00 -1.10 0.00 0.00 59.98 57.90 3gem h ARG 79 Cb 1.15 0.12 -0.15 0.00 -1.39 0.00 0.00 29.97 29.71 3gem h ARG 79 CO 0.48 1.22 0.27 0.00 2.80 0.00 0.00 179.97 184.74 3gem s ALA 80 N -3.80 -1.69 -0.14 2.80 0.00 -1.24 -2.37 121.76 115.32 3gem s ALA 80 Ca -0.11 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3gem s ALA 80 Cb 0.08 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.76 3gem s ALA 80 CO 0.89 -0.65 -0.18 0.08 0.00 0.00 0.00 175.76 175.91 3gem s VAL 81 N -2.96 1.77 -0.33 0.00 1.01 -0.57 -1.43 120.40 117.90 3gem s VAL 81 Ca -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 3gem s VAL 81 Cb -0.01 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3gem s VAL 81 CO -0.07 0.49 0.09 -0.69 0.00 0.00 0.00 175.10 174.93 3gem s VAL 82 N 1.15 3.77 -0.91 2.92 1.01 0.65 -0.88 120.40 128.11 3gem s VAL 82 Ca -0.01 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 3gem s VAL 82 Cb -0.14 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.21 3gem s VAL 82 CO -0.07 -0.13 1.27 -1.00 0.00 0.00 0.00 175.10 175.17 3gem s HIS 83 N 1.41 2.68 -0.05 5.22 3.76 0.33 -1.74 115.29 126.90 3gem s HIS 83 Ca -0.01 -0.85 0.17 0.00 -0.15 0.00 0.00 55.06 54.22 3gem s HIS 83 Cb -0.19 -4.52 -0.26 0.00 1.11 0.00 0.00 32.58 28.73 3gem s HIS 83 CO 0.02 -1.79 0.38 -1.71 -0.85 0.00 0.00 174.74 170.79 3gem n ASN 84 N 8.13 1.15 -4.68 1.40 5.15 -1.24 -1.18 115.26 123.99 3gem n ASN 84 Ca 0.21 -0.04 -0.45 0.00 -0.60 0.00 0.00 54.58 53.71 3gem n ASN 84 Cb 0.49 1.73 -0.03 0.00 -0.53 0.00 0.00 39.78 41.45 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 -2.05 1.33 -3.23 5.20 0.00 -1.09 -4.83 120.51 115.84 3gem n ALA 85 Ca -0.03 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 3gem n ALA 85 Cb 0.43 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 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 0.49 -0.35 -0.06 0.00 0.15 -1.26 -4.74 113.70 107.93 3gem s SER 86 Ca 0.71 0.67 -0.02 0.00 0.70 0.00 0.00 55.95 58.01 3gem s SER 86 Cb -0.64 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 3gem s SER 86 CO 0.46 -0.13 0.03 -0.70 1.20 0.00 0.00 173.24 174.10 3gem s GLU 87 N 0.13 0.30 -0.19 5.44 2.12 -1.26 -5.11 118.70 120.13 3gem s GLU 87 Ca -0.00 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 3gem s GLU 87 Cb -0.02 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 3gem s GLU 87 CO 0.01 -0.31 0.08 -0.46 -0.54 0.00 0.00 175.26 174.03 3gem s TRP 88 N 2.03 3.28 0.04 5.30 -0.00 -1.26 -5.02 118.94 123.30 3gem s TRP 88 Ca 0.05 0.11 0.05 0.00 -0.00 0.00 0.00 56.10 56.30 3gem s TRP 88 Cb -0.12 -2.10 -0.02 0.00 -0.00 0.00 0.00 33.47 31.23 3gem s TRP 88 CO -0.04 0.17 -0.14 -0.51 -0.00 0.00 0.00 176.95 176.43 3gem s LEU 89 N 0.40 2.16 0.61 5.86 1.43 -1.26 -5.14 118.68 122.74 3gem s LEU 89 Ca 0.04 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 3gem s LEU 89 Cb -0.12 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 3gem s LEU 89 CO -0.00 0.04 1.15 0.00 0.23 0.00 0.00 176.35 177.77 3gem s ALA 90 N -0.81 2.54 -1.37 4.21 0.00 -1.26 -4.88 121.76 120.18 3gem s ALA 90 Ca 0.02 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3gem s ALA 90 Cb -0.08 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.77 3gem s ALA 90 CO 0.01 -1.12 2.24 0.39 0.00 0.00 0.00 175.76 177.29 3gem n GLU 91 N -1.86 3.86 -2.03 0.00 1.02 -1.26 -4.92 120.64 115.45 3gem n GLU 91 Ca 0.12 -3.20 -0.42 0.00 -0.02 0.00 0.00 57.16 53.64 3gem n GLU 91 Cb 0.51 -2.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.04 3gem n GLU 91 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gem s THR 92 N 0.48 2.94 0.24 2.62 2.01 -1.26 -4.85 115.64 117.82 3gem s THR 92 Ca 0.49 0.66 -0.31 0.00 0.31 0.00 0.00 61.69 62.84 3gem s THR 92 Cb 0.14 -3.42 -0.13 0.00 0.01 0.00 0.00 72.50 69.10 3gem s THR 92 CO -0.05 0.05 1.50 -2.65 -0.69 0.00 0.00 174.62 172.78 3gem n PRO 93 N 4.08 2.27 0.00 4.92 -0.02 -1.26 -0.69 135.00 144.30 3gem n PRO 93 Ca 0.13 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3gem n PRO 93 Cb 0.40 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.42 2.57 0.01 -1.23 0.00 -1.26 -4.83 105.19 102.87 3gem n GLY 94 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 2.55 -0.21 1.61 1.02 0.13 -4.82 120.64 118.92 3gem n GLU 95 Ca 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 57.16 55.60 3gem n GLU 95 Cb 0.00 -0.98 0.03 0.00 -0.02 0.00 0.00 31.44 30.47 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 0.00 0.81 -0.22 3.49 3.07 -1.85 -1.20 114.58 118.67 3gem h GLU 96 Ca 0.00 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3gem h GLU 96 Cb 0.59 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3gem h GLU 96 CO 0.00 0.58 -0.06 0.00 -1.40 0.00 0.00 179.01 178.14 3gem h ALA 97 N 1.18 0.31 -0.31 3.43 0.00 -1.92 -0.47 119.26 121.48 3gem h ALA 97 Ca 0.21 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gem h ALA 97 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gem h ALA 97 CO -0.04 0.10 0.13 -0.44 0.00 0.00 0.00 179.25 179.00 3gem h ASP 98 N 0.17 0.17 -0.51 0.00 3.32 -1.85 -0.99 116.42 116.72 3gem h ASP 98 Ca 0.06 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3gem h ASP 98 Cb 0.52 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3gem h ASP 98 CO 0.02 0.13 -0.12 0.78 -1.72 0.00 0.00 179.24 178.34 3gem h ASN 99 N 0.28 0.99 -0.44 6.45 2.35 -1.13 -0.98 115.58 123.10 3gem h ASN 99 Ca 0.13 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 3gem h ASN 99 Cb 0.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3gem h ASN 99 CO -0.12 1.12 0.14 0.15 -1.65 0.00 0.00 177.43 177.07 3gem h PHE 100 N 0.85 0.71 -0.86 1.19 3.57 -0.92 -2.92 116.94 118.56 3gem h PHE 100 Ca 0.13 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3gem h PHE 100 Cb 0.68 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 3gem h PHE 100 CO 0.05 0.64 0.43 1.15 -2.23 0.00 0.00 178.31 178.34 3gem h THR 101 N 0.58 1.26 0.00 4.41 2.02 -1.12 0.22 112.91 120.27 3gem h THR 101 Ca 0.14 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3gem h THR 101 Cb 0.26 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3gem h THR 101 CO -0.00 0.31 0.00 -1.14 0.37 0.00 0.00 175.52 175.05 3gem n ARG 102 N -4.31 0.24 0.00 6.66 0.63 -0.38 -1.22 116.66 118.27 3gem n ARG 102 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3gem n ARG 102 Cb 0.13 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.84 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 0.54 0.00 -0.13 -0.14 7.35 0.06 -1.44 117.46 123.70 3gem n PHE 104 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 3gem n PHE 104 Cb 0.08 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 0.51 -0.11 -2.13 0.87 -1.42 -0.59 113.55 110.67 3gem h SER 105 Ca 0.00 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 3gem h SER 105 Cb 0.00 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3gem h SER 105 CO 0.00 0.47 -0.20 0.58 -0.53 0.00 0.00 176.83 177.16 3gem h VAL 106 N 0.51 1.38 -0.01 2.23 2.07 -1.12 -0.30 116.25 121.01 3gem h VAL 106 Ca 0.14 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3gem h VAL 106 Cb 0.09 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3gem h VAL 106 CO -0.02 0.42 -0.19 1.41 0.02 0.00 0.00 177.57 179.21 3gem n HIS 107 N -4.52 0.00 0.00 1.57 8.25 -1.20 -4.34 115.22 114.98 3gem n HIS 107 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3gem n HIS 107 Cb 0.41 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.59 0.00 -0.04 2.41 7.94 -0.23 -4.44 117.00 122.05 3gem n LEU 109 Ca 0.14 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.91 3gem n LEU 109 Cb 0.33 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 3gem n LEU 109 CO 0.24 0.00 0.68 0.00 -1.11 0.00 0.00 177.39 177.20 3gem h ALA 110 N 0.00 0.16 -0.62 1.96 0.00 -1.24 -0.37 119.26 119.15 3gem h ALA 110 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3gem h ALA 110 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3gem h ALA 110 CO 0.00 -0.08 0.24 -1.35 0.00 0.00 0.00 179.25 178.07 3gem h PRO 111 N -0.10 0.91 0.14 0.00 0.11 -1.81 -0.58 132.00 130.66 3gem h PRO 111 Ca 0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3gem h PRO 111 Cb 0.48 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3gem h PRO 111 CO 0.01 0.74 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.56 3gem h TYR 112 N 0.89 -0.17 -0.50 0.65 3.20 -1.87 0.12 116.97 119.29 3gem h TYR 112 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3gem h TYR 112 Cb 0.18 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3gem h TYR 112 CO 0.01 -0.06 0.07 -0.07 -1.64 0.00 0.00 178.16 176.47 3gem h LEU 113 N -0.24 0.81 -0.28 2.82 3.38 -0.88 -1.13 115.31 119.79 3gem h LEU 113 Ca -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3gem h LEU 113 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3gem h LEU 113 CO 0.03 0.88 0.12 0.40 0.09 0.00 0.00 178.44 179.95 3gem h ILE 114 N 0.72 1.17 -0.42 1.22 2.04 -1.09 0.18 117.51 121.33 3gem h ILE 114 Ca 0.15 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3gem h ILE 114 Cb 0.42 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3gem h ILE 114 CO 0.01 0.18 0.25 0.78 0.00 0.00 0.00 178.15 179.37 3gem h ASN 115 N 0.31 0.40 -0.16 1.72 2.35 -0.87 0.30 115.58 119.64 3gem h ASN 115 Ca 0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3gem h ASN 115 Cb 0.17 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3gem h ASN 115 CO -0.01 0.29 0.09 -0.07 -1.65 0.00 0.00 177.43 176.08 3gem h LEU 116 N 0.50 0.19 -0.44 1.61 3.38 -1.06 -1.69 115.31 117.80 3gem h LEU 116 Ca 0.17 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3gem h LEU 116 Cb 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gem h LEU 116 CO -0.08 0.20 -0.53 0.45 0.09 0.00 0.00 178.44 178.57 3gem h HIS 117 N 0.17 0.00 -0.02 1.13 3.86 -0.87 -3.28 115.15 116.15 3gem h HIS 117 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3gem h HIS 117 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3gem h HIS 117 CO -0.05 0.53 -0.10 0.00 0.86 0.00 0.00 177.93 179.17 3gem h GLU 119 N 3.13 -0.03 0.00 0.00 4.81 -1.37 -0.56 114.58 120.57 3gem h GLU 119 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3gem h GLU 119 Cb 0.73 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3gem h GLU 119 CO 0.00 -0.02 -0.16 -1.00 -0.73 0.00 0.00 179.01 177.10 3gem h PRO 120 N -0.03 0.00 -0.52 0.92 0.13 -1.85 -1.24 132.00 129.41 3gem h PRO 120 Ca 0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.29 3gem h PRO 120 Cb 0.45 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 3gem h PRO 120 CO -0.61 0.16 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.13 3gem h LEU 121 N 0.00 1.01 -0.42 1.56 4.07 -1.36 -2.79 115.31 117.38 3gem h LEU 121 Ca -0.00 -0.36 -0.16 0.00 0.08 0.00 0.00 57.88 57.44 3gem h LEU 121 Cb 0.33 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3gem h LEU 121 CO 0.02 1.14 -0.40 -0.07 -1.08 0.00 0.00 178.44 178.05 3gem h LEU 122 N 0.87 0.95 0.00 1.67 3.38 -0.69 -0.97 115.31 120.51 3gem h LEU 122 Ca 0.13 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gem h LEU 122 Cb 0.69 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3gem h LEU 122 CO 0.05 1.22 0.00 0.35 0.09 0.00 0.00 178.44 180.15 3gem n THR 123 N -4.05 0.34 1.06 0.22 -2.24 -0.53 -1.33 114.28 107.74 3gem n THR 123 Ca -0.02 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3gem n THR 123 Cb 0.55 -0.68 0.58 0.00 -2.10 0.00 0.00 70.33 68.68 3gem n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gem n ALA 124 N -1.46 2.19 -2.67 6.98 0.00 -1.05 -4.73 120.51 119.77 3gem n ALA 124 Ca 0.07 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 3gem n ALA 124 Cb 0.26 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 3gem n ALA 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gem s SER 125 N -2.67 5.08 0.24 0.00 0.15 -0.45 -4.93 113.70 111.12 3gem s SER 125 Ca 0.20 0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 3gem s SER 125 Cb 0.16 -1.41 0.31 0.00 -1.71 0.00 0.00 66.02 63.37 3gem s SER 125 CO 0.38 0.37 1.88 -0.33 1.20 0.00 0.00 173.24 176.74 3gem h GLU 126 N 5.23 1.10 -4.97 5.44 3.07 -1.85 -3.39 114.58 119.22 3gem h GLU 126 Ca -0.50 -0.07 -0.62 0.00 -0.50 0.00 0.00 59.36 57.68 3gem h GLU 126 Cb 1.19 -0.25 -0.34 0.00 -0.84 0.00 0.00 28.75 28.51 3gem h GLU 126 CO 0.54 0.73 -0.85 0.08 -1.40 0.00 0.00 179.01 178.11 3gem s VAL 127 N -6.08 1.69 0.00 3.13 1.01 -1.26 -5.08 120.40 113.81 3gem s VAL 127 Ca -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3gem s VAL 127 Cb 0.18 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3gem s VAL 127 CO 0.80 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 176.36 3gem s ALA 128 N 0.69 0.14 0.02 5.51 0.00 -1.26 -4.76 121.76 122.10 3gem s ALA 128 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3gem s ALA 128 Cb -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3gem s ALA 128 CO 0.03 0.02 -0.03 -0.51 0.00 0.00 0.00 175.76 175.27 3gem s ASP 129 N -0.20 0.26 -0.09 0.00 1.01 -1.00 -1.74 116.67 114.92 3gem s ASP 129 Ca -0.01 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 52.95 3gem s ASP 129 Cb -0.02 0.05 -0.01 0.00 1.01 0.00 0.00 42.92 43.96 3gem s ASP 129 CO -0.00 -0.18 -0.20 -0.63 0.21 0.00 0.00 175.17 174.37 3gem s ILE 130 N -0.94 2.47 -0.12 0.77 1.01 0.18 -1.51 121.20 123.07 3gem s ILE 130 Ca -0.10 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.67 3gem s ILE 130 Cb -0.07 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.46 3gem s ILE 130 CO -0.00 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 174.66 3gem s VAL 131 N 0.04 1.48 -0.27 2.92 1.01 -0.06 -1.23 120.40 124.29 3gem s VAL 131 Ca -0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3gem s VAL 131 Cb -0.15 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3gem s VAL 131 CO 0.05 0.44 0.21 -1.00 0.00 0.00 0.00 175.10 174.80 3gem s HIS 132 N 1.11 3.24 -0.41 5.22 3.76 0.25 -0.52 115.29 127.94 3gem s HIS 132 Ca -0.04 0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.86 3gem s HIS 132 Cb -0.14 -2.39 0.02 0.00 1.11 0.00 0.00 32.58 31.17 3gem s HIS 132 CO -0.04 -0.13 0.54 0.42 -0.85 0.00 0.00 174.74 174.69 3gem s ILE 133 N 1.68 4.96 0.00 0.60 1.01 -0.33 -1.33 121.20 127.80 3gem s ILE 133 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3gem s ILE 133 Cb -0.16 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3gem s ILE 133 CO 0.10 -0.45 0.00 -1.54 0.00 0.00 0.00 174.94 173.05 3gem n SER 134 N 5.92 0.00 -3.64 3.58 3.41 0.13 -4.79 113.62 118.23 3gem n SER 134 Ca -0.04 0.00 -0.07 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 -0.61 -0.61 0.04 4.04 -1.08 -1.26 -4.49 116.67 112.71 3gem s ASP 135 Ca 0.00 1.04 0.09 0.00 -0.52 0.00 0.00 52.55 53.16 3gem s ASP 135 Cb 0.00 1.17 0.41 0.00 -1.46 0.00 0.00 42.92 43.04 3gem s ASP 135 CO 0.00 -0.17 1.29 -0.67 0.52 0.00 0.00 175.17 176.14 3gem n ASP 136 N 3.27 0.09 0.22 -0.34 2.03 0.23 -2.67 116.55 119.39 3gem n ASP 136 Ca -0.17 0.53 0.18 0.00 0.52 0.00 0.00 54.79 55.86 3gem n ASP 136 Cb 0.57 -0.55 0.85 0.00 -0.72 0.00 0.00 41.12 41.27 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 0.37 0.00 5.18 3.04 -1.94 -2.54 116.25 120.36 3gem h VAL 137 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 3gem h VAL 137 Cb 0.13 0.81 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3gem h VAL 137 CO 0.00 0.00 -0.10 0.71 -1.01 0.00 0.00 177.57 177.17 3gem h THR 138 N 0.00 0.46 -0.40 3.17 1.35 -1.83 -1.97 112.91 113.70 3gem h THR 138 Ca 0.08 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 3gem h THR 138 Cb 0.55 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3gem h THR 138 CO -0.00 0.09 0.21 0.03 -0.25 0.00 0.00 175.52 175.61 3gem h ARG 139 N 0.00 0.56 0.00 4.72 3.08 -1.74 -3.25 114.38 117.75 3gem h ARG 139 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gem h ARG 139 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3gem h ARG 139 CO 0.01 0.46 -1.75 1.17 -1.07 0.00 0.00 179.97 178.80 3gem n LYS 140 N -4.73 0.58 -0.10 0.04 4.81 -1.16 -5.11 118.16 112.49 3gem n LYS 140 Ca 0.00 -0.13 0.01 0.00 -0.87 0.00 0.00 58.31 57.32 3gem n LYS 140 Cb 0.09 -1.56 -0.00 0.00 0.02 0.00 0.00 35.03 33.57 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 1.27 -1.48 2.92 3.14 0.00 -0.75 -4.98 105.19 105.31 3gem n GLY 141 Ca -0.03 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.06 0.62 0.20 1.61 0.15 -1.26 -4.85 113.70 107.11 3gem s SER 142 Ca 0.00 0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.80 3gem s SER 142 Cb 0.00 0.74 0.19 0.00 -1.71 0.00 0.00 66.02 65.24 3gem s SER 142 CO 0.00 -0.28 1.81 -1.28 1.20 0.00 0.00 173.24 174.69 3gem h SER 143 N 8.26 0.54 0.02 5.45 0.87 -1.99 -3.20 113.55 123.50 3gem h SER 143 Ca -0.16 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.31 3gem h SER 143 Cb 1.14 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3gem h SER 143 CO 0.22 0.37 -0.41 0.11 -0.53 0.00 0.00 176.83 176.58 3gem h LYS 144 N 0.68 0.25 -2.30 2.24 1.57 -2.05 -3.39 116.57 113.57 3gem h LYS 144 Ca 0.27 -0.29 -0.70 0.00 -1.87 0.00 0.00 60.65 58.06 3gem h LYS 144 Cb 0.12 0.09 -0.35 0.00 0.08 0.00 0.00 32.23 32.17 3gem h LYS 144 CO -0.15 1.03 0.15 0.72 -0.57 0.00 0.00 179.45 180.63 3gem n HIS 145 N -4.38 3.40 0.30 -1.35 8.25 -1.22 -4.86 115.22 115.37 3gem n HIS 145 Ca -0.10 -3.32 -0.16 0.00 -0.26 0.00 0.00 57.72 53.87 3gem n HIS 145 Cb 0.60 -0.83 -0.09 0.00 1.12 0.00 0.00 29.99 30.79 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 2.68 0.46 -0.23 1.59 2.04 -1.76 -0.91 117.51 121.37 3gem h ILE 146 Ca 0.31 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 3gem h ILE 146 Cb 0.44 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3gem h ILE 146 CO 1.00 0.02 0.06 0.00 0.00 0.00 0.00 178.15 179.23 3gem h ALA 147 N -0.35 0.30 -0.12 1.87 0.00 -1.91 -0.80 119.26 118.27 3gem h ALA 147 Ca -0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3gem h ALA 147 Cb 0.58 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3gem h ALA 147 CO 0.12 -0.06 -0.22 -0.92 0.00 0.00 0.00 179.25 178.17 3gem h TYR 148 N 0.20 -0.59 -0.52 0.00 3.20 -1.89 -1.50 116.97 115.88 3gem h TYR 148 Ca 0.07 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3gem h TYR 148 Cb 0.26 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3gem h TYR 148 CO 0.01 -0.30 0.28 0.00 -1.64 0.00 0.00 178.16 176.50 3gem h ALA 150 N 1.26 1.37 -0.06 0.00 0.00 -0.69 -0.11 119.26 121.03 3gem h ALA 150 Ca 0.22 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3gem h ALA 150 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3gem h ALA 150 CO -0.14 0.56 -0.54 1.79 0.00 0.00 0.00 179.25 180.93 3gem h THR 151 N 1.12 1.37 -0.10 0.00 1.35 -0.81 -1.56 112.91 114.28 3gem h THR 151 Ca 0.30 -1.83 -0.16 0.00 -0.55 0.00 0.00 66.41 64.17 3gem h THR 151 Cb -0.09 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3gem h THR 151 CO -0.06 0.54 -0.62 0.11 -0.25 0.00 0.00 175.52 175.23 3gem h LYS 152 N 0.14 0.35 -0.63 4.72 1.79 -0.63 -2.17 116.57 120.14 3gem h LYS 152 Ca 0.00 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.16 3gem h LYS 152 Cb 0.99 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 3gem h LYS 152 CO 0.08 0.86 0.15 0.00 -1.08 0.00 0.00 179.45 179.46 3gem h ALA 153 N 1.08 0.83 -0.55 3.86 0.00 -0.76 -1.96 119.26 121.76 3gem h ALA 153 Ca -0.01 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3gem h ALA 153 Cb 1.16 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3gem h ALA 153 CO 0.10 0.55 0.29 0.78 0.00 0.00 0.00 179.25 180.98 3gem h GLY 154 N 0.93 0.78 0.82 0.00 0.00 -1.20 -2.19 103.07 102.23 3gem h GLY 154 Ca 0.20 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3gem h GLY 154 CO 0.00 0.13 0.27 -2.00 0.00 0.00 0.00 176.54 174.94 3gem h LEU 155 N 0.56 0.41 -1.90 3.11 5.85 -1.18 -2.14 115.31 120.02 3gem h LEU 155 Ca 0.24 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3gem h LEU 155 Cb 0.13 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3gem h LEU 155 CO -0.16 0.29 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.83 3gem h GLU 156 N 0.53 0.00 -0.70 1.25 5.08 -1.04 -1.45 114.58 118.26 3gem h GLU 156 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3gem h GLU 156 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3gem h GLU 156 CO -0.12 0.07 0.19 1.03 -1.00 0.00 0.00 179.01 179.18 3gem h SER 157 N 0.00 1.03 -0.07 1.42 0.87 -0.77 -2.78 113.55 113.26 3gem h SER 157 Ca -0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3gem h SER 157 Cb 0.14 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3gem h SER 157 CO 0.01 0.98 0.04 -0.07 -0.53 0.00 0.00 176.83 177.26 3gem h LEU 158 N 1.05 0.09 -0.00 2.23 3.38 -0.83 -1.73 115.31 119.49 3gem h LEU 158 Ca 0.22 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3gem h LEU 158 Cb 0.34 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3gem h LEU 158 CO -0.00 0.07 -0.12 0.74 0.09 0.00 0.00 178.44 179.21 3gem h THR 159 N 0.10 0.69 -0.49 0.22 2.02 -1.31 -0.08 112.91 114.07 3gem h THR 159 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3gem h THR 159 Cb -0.00 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3gem h THR 159 CO -0.01 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 176.07 3gem h LEU 160 N -0.21 0.62 -0.04 2.58 3.38 -1.39 -1.31 115.31 118.95 3gem h LEU 160 Ca 0.04 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3gem h LEU 160 Cb 0.26 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3gem h LEU 160 CO -0.12 0.55 -0.40 0.28 0.09 0.00 0.00 178.44 178.84 3gem h SER 161 N 0.64 0.41 0.38 -0.43 0.02 -1.24 -2.54 113.55 110.79 3gem h SER 161 Ca 0.17 -0.71 -0.09 0.00 -0.84 0.00 0.00 61.79 60.32 3gem h SER 161 Cb 0.08 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3gem h SER 161 CO -0.02 1.06 -0.40 -0.26 -1.14 0.00 0.00 176.83 176.06 3gem h PHE 162 N -0.20 0.04 -0.76 3.45 0.04 -1.09 -1.44 116.94 116.99 3gem h PHE 162 Ca -0.04 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.74 3gem h PHE 162 Cb 1.09 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.19 3gem h PHE 162 CO 0.14 0.44 0.49 0.00 -0.60 0.00 0.00 178.31 178.78 3gem h ALA 163 N 1.56 0.98 0.00 2.45 0.00 -1.17 0.74 119.26 123.83 3gem h ALA 163 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gem h ALA 163 Cb 0.73 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gem h ALA 163 CO 0.05 0.32 -0.00 0.00 0.00 0.00 0.00 179.25 179.62 3gem h ALA 164 N 1.30 -0.01 -0.46 0.00 0.00 -1.21 -2.58 119.26 116.31 3gem h ALA 164 Ca 0.29 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3gem h ALA 164 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3gem h ALA 164 CO -0.09 -0.38 -0.13 -0.09 0.00 0.00 0.00 179.25 178.56 3gem h ARG 165 N -0.25 0.90 -0.00 0.00 2.43 -1.00 -3.28 114.38 113.17 3gem h ARG 165 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3gem h ARG 165 Cb 0.25 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3gem h ARG 165 CO 0.00 1.00 -0.48 1.19 -1.51 0.00 0.00 179.97 180.17 3gem n PHE 166 N -4.24 0.00 -1.86 2.20 3.01 0.23 -4.87 117.46 111.93 3gem n PHE 166 Ca -0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 3gem n PHE 166 Cb 0.40 -0.19 0.04 0.00 -0.01 0.00 0.00 39.48 39.72 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 -2.86 2.63 -1.42 4.37 0.00 -0.97 -2.02 121.76 121.49 3gem s ALA 167 Ca 0.14 1.19 0.25 0.00 0.00 0.00 0.00 51.96 53.55 3gem s ALA 167 Cb 0.18 -3.52 0.53 0.00 0.00 0.00 0.00 23.12 20.30 3gem s ALA 167 CO 0.67 -1.34 1.42 -0.35 0.00 0.00 0.00 175.76 176.16 3gem n PRO 168 N -1.38 0.47 0.14 0.00 -0.04 -1.26 -4.87 135.00 128.06 3gem n PRO 168 Ca 0.13 -0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.30 3gem n PRO 168 Cb 0.47 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.73 0.00 -8.04 1.53 3.38 -1.89 -3.43 115.31 107.58 3gem h LEU 169 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3gem h LEU 169 Cb 0.52 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.94 3gem h LEU 169 CO 0.00 0.57 -0.83 -0.69 0.09 0.00 0.00 178.44 177.58 3gem s VAL 170 N -3.10 1.31 0.09 1.22 1.01 -0.86 -4.12 120.40 115.95 3gem s VAL 170 Ca 0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3gem s VAL 170 Cb 0.09 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 3gem s VAL 170 CO 0.74 0.39 0.58 -0.54 0.00 0.00 0.00 175.10 176.28 3gem s LYS 171 N 0.63 4.20 -0.09 2.72 1.02 -0.71 -3.78 119.74 123.73 3gem s LYS 171 Ca -0.15 0.74 -0.00 0.00 0.02 0.00 0.00 55.97 56.58 3gem s LYS 171 Cb -0.16 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3gem s LYS 171 CO 0.04 0.62 -0.05 0.08 -0.92 0.00 0.00 175.35 175.12 3gem s VAL 172 N -1.15 0.81 0.22 3.17 1.01 -1.26 -0.64 120.40 122.56 3gem s VAL 172 Ca 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 3gem s VAL 172 Cb -0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3gem s VAL 172 CO 0.19 0.33 0.21 0.20 0.00 0.00 0.00 175.10 176.03 3gem s ASN 173 N 1.69 0.16 0.18 3.32 0.01 -0.37 -0.12 114.94 119.82 3gem s ASN 173 Ca 0.03 -1.31 0.08 0.00 -0.71 0.00 0.00 52.86 50.95 3gem s ASN 173 Cb -0.13 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.92 3gem s ASN 173 CO -0.06 -0.91 -0.16 -0.83 -1.51 0.00 0.00 177.10 173.63 3gem s GLY 174 N -3.14 1.36 -0.09 0.66 0.00 0.91 -0.59 107.32 106.43 3gem s GLY 174 Ca 0.36 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3gem s GLY 174 CO 0.12 -1.63 -0.20 -0.42 0.00 0.00 0.00 173.10 170.97 3gem s ILE 175 N -2.56 1.74 -0.61 0.90 1.01 -0.44 -0.40 121.20 120.84 3gem s ILE 175 Ca 0.18 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3gem s ILE 175 Cb -0.03 -1.53 0.15 0.00 0.01 0.00 0.00 42.46 41.07 3gem s ILE 175 CO 0.06 0.49 0.39 0.00 0.00 0.00 0.00 174.94 175.88 3gem s ALA 176 N 0.48 3.53 0.48 9.38 0.00 0.10 -0.69 121.76 135.04 3gem s ALA 176 Ca -0.17 -3.37 -0.14 0.00 0.00 0.00 0.00 51.96 48.28 3gem s ALA 176 Cb -0.17 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 3gem s ALA 176 CO 0.07 -2.08 0.91 -1.25 0.00 0.00 0.00 175.76 173.41 3gem s PRO 177 N -0.38 3.87 -1.18 0.00 0.05 -1.26 -2.04 135.00 134.05 3gem s PRO 177 Ca 0.18 0.77 -0.20 0.00 0.05 0.00 0.00 61.00 61.80 3gem s PRO 177 Cb -0.21 -2.22 0.06 0.00 0.05 0.00 0.00 34.50 32.18 3gem s PRO 177 CO -0.04 -0.21 1.62 0.00 0.05 0.00 0.00 177.00 178.43 3gem s ALA 178 N -2.57 3.07 0.24 8.56 0.00 -0.59 -0.60 121.76 129.87 3gem s ALA 178 Ca 0.56 -2.65 -0.07 0.00 0.00 0.00 0.00 51.96 49.80 3gem s ALA 178 Cb -0.10 -4.60 0.24 0.00 0.00 0.00 0.00 23.12 18.66 3gem s ALA 178 CO 0.33 -3.43 1.92 -0.07 0.00 0.00 0.00 175.76 174.51 3gem h LEU 179 N 12.65 1.11 0.00 0.00 3.38 -1.91 -3.49 115.31 127.04 3gem h LEU 179 Ca 0.35 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3gem h LEU 179 Cb 0.93 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3gem h LEU 179 CO 1.45 0.80 0.00 -0.11 0.09 0.00 0.00 178.44 180.67 3gem n LEU 180 N -4.41 0.00 0.15 1.67 7.94 -1.26 -5.18 117.00 115.91 3gem n LEU 180 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 3gem n LEU 180 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 3gem n LEU 180 CO 0.37 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.54 3gem n LEU 195 N 0.00 -0.87 0.08 -1.96 0.00 -1.26 -5.22 117.00 107.78 3gem n LEU 195 Ca 0.00 0.53 0.09 0.00 0.00 0.00 0.00 56.01 56.62 3gem n LEU 195 Cb 0.00 0.99 0.40 0.00 0.00 0.00 0.00 43.42 44.81 3gem n LEU 195 CO 0.00 -0.58 0.77 0.00 0.00 0.00 0.00 177.39 177.58 3gem n ALA 196 N -3.39 1.46 0.88 1.96 0.00 -1.26 -2.50 120.51 117.66 3gem n ALA 196 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3gem n ALA 196 Cb 0.00 -1.28 0.32 0.00 0.00 0.00 0.00 19.45 18.48 3gem n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gem n LYS 197 N -1.95 0.08 -3.40 0.00 5.02 -1.26 -4.85 118.16 111.81 3gem n LYS 197 Ca 0.02 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 3gem n LYS 197 Cb 0.15 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 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 -3.37 6.15 0.06 4.39 1.04 -1.04 -4.59 113.70 116.34 3gem s SER 198 Ca 0.10 0.27 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 3gem s SER 198 Cb 0.17 -1.79 -0.15 0.00 0.10 0.00 0.00 66.02 64.35 3gem s SER 198 CO 0.66 -0.37 1.30 0.00 0.98 0.00 0.00 173.24 175.82 3gem h ALA 199 N 0.75 0.26 0.00 5.32 0.00 -1.02 -3.24 119.26 121.34 3gem h ALA 199 Ca -0.49 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 53.88 3gem h ALA 199 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3gem h ALA 199 CO 0.59 0.33 -0.49 -0.07 0.00 0.00 0.00 179.25 179.62 3gem h LEU 200 N 0.16 0.00 0.68 0.00 3.38 -1.65 -3.47 115.31 114.41 3gem h LEU 200 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3gem h LEU 200 Cb 0.97 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 3gem h LEU 200 CO 0.08 0.49 -0.26 0.61 0.09 0.00 0.00 178.44 179.44 3gem n GLY 201 N 0.66 1.46 3.67 0.83 0.00 -1.23 -4.99 105.19 105.58 3gem n GLY 201 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.46 3.59 -0.39 -0.61 -4.36 -1.26 -4.86 121.20 110.85 3gem s ILE 202 Ca 0.00 -1.82 -0.20 0.00 -0.26 0.00 0.00 60.65 58.37 3gem s ILE 202 Cb 0.00 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.80 3gem s ILE 202 CO 0.00 -0.35 0.61 -0.70 0.24 0.00 0.00 174.94 174.74 3gem s GLU 203 N -3.64 3.51 0.41 0.37 2.12 -1.26 -4.97 118.70 115.24 3gem s GLU 203 Ca 0.31 -0.16 -0.23 0.00 0.36 0.00 0.00 54.97 55.25 3gem s GLU 203 Cb -0.07 -3.86 -0.10 0.00 0.26 0.00 0.00 34.13 30.36 3gem s GLU 203 CO 0.20 -0.82 1.00 -1.25 -0.54 0.00 0.00 175.26 173.85 3gem s PRO 204 N 2.68 4.20 0.55 4.30 0.04 -1.26 -5.06 135.00 140.45 3gem s PRO 204 Ca 0.22 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 3gem s PRO 204 Cb -0.15 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3gem s PRO 204 CO 0.16 -0.08 0.83 0.20 0.04 0.00 0.00 177.00 178.16 3gem s GLY 205 N -1.81 1.60 0.43 0.56 0.00 -1.26 -4.96 107.32 101.87 3gem s GLY 205 Ca 0.59 -0.80 0.26 0.00 0.00 0.00 0.00 44.72 44.77 3gem s GLY 205 CO 0.21 -0.55 1.79 0.00 0.00 0.00 0.00 173.10 174.56 3gem h ALA 206 N -0.00 1.05 -0.66 3.20 0.00 -1.96 -2.75 119.26 118.14 3gem h ALA 206 Ca -0.46 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.56 3gem h ALA 206 Cb 1.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3gem h ALA 206 CO 0.60 -0.05 0.44 1.49 0.00 0.00 0.00 179.25 181.72 3gem h GLU 207 N 0.00 0.45 -0.93 0.00 4.57 -1.96 0.85 114.58 117.56 3gem h GLU 207 Ca 0.00 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3gem h GLU 207 Cb 0.14 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3gem h GLU 207 CO 0.00 0.30 0.61 0.28 -1.18 0.00 0.00 179.01 179.02 3gem h VAL 208 N 0.47 1.07 -0.20 0.32 2.07 -1.89 0.24 116.25 118.32 3gem h VAL 208 Ca 0.31 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 3gem h VAL 208 Cb 0.57 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3gem h VAL 208 CO -0.09 0.19 -0.63 0.40 0.02 0.00 0.00 177.57 177.46 3gem h ILE 209 N 1.06 1.30 -0.77 4.57 1.08 -1.05 -2.50 117.51 121.21 3gem h ILE 209 Ca 0.40 -1.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.00 3gem h ILE 209 Cb 0.20 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.74 3gem h ILE 209 CO -0.16 0.59 0.46 0.22 -0.69 0.00 0.00 178.15 178.57 3gem h TYR 210 N 0.53 1.02 -0.66 1.37 3.20 -1.00 -0.57 116.97 120.86 3gem h TYR 210 Ca -0.01 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3gem h TYR 210 Cb 1.23 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 3gem h TYR 210 CO 0.07 0.68 0.35 1.96 -1.64 0.00 0.00 178.16 179.58 3gem h GLN 211 N 1.05 0.63 -0.28 1.82 4.20 -0.87 0.26 115.11 121.92 3gem h GLN 211 Ca 0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3gem h GLN 211 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3gem h GLN 211 CO -0.05 0.42 0.13 0.77 -0.67 0.00 0.00 178.83 179.42 3gem h SER 212 N 0.65 0.38 -0.42 1.46 0.02 -1.04 -1.55 113.55 113.05 3gem h SER 212 Ca 0.30 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3gem h SER 212 Cb 0.22 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3gem h SER 212 CO -0.20 0.42 0.26 0.25 -1.14 0.00 0.00 176.83 176.42 3gem h LEU 213 N 0.31 0.44 -0.78 5.07 5.85 -0.58 -1.92 115.31 123.70 3gem h LEU 213 Ca 0.10 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3gem h LEU 213 Cb 0.15 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3gem h LEU 213 CO -0.01 0.31 0.51 0.03 -0.34 0.00 0.00 178.44 178.94 3gem h ARG 214 N 0.53 0.98 -0.54 1.25 2.47 -0.82 -0.38 114.38 117.87 3gem h ARG 214 Ca 0.16 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 3gem h ARG 214 Cb -0.02 -0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.02 3gem h ARG 214 CO -0.06 0.65 0.26 -0.92 0.56 0.00 0.00 179.97 180.46 3gem h TYR 215 N 1.01 0.47 -0.19 3.04 3.20 -0.94 -0.49 116.97 123.07 3gem h TYR 215 Ca 0.30 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3gem h TYR 215 Cb -0.06 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 3gem h TYR 215 CO -0.02 0.21 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.45 3gem h LEU 216 N 0.50 0.49 -0.77 2.82 3.38 -1.02 -2.44 115.31 118.27 3gem h LEU 216 Ca 0.25 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3gem h LEU 216 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3gem h LEU 216 CO -0.19 0.86 0.35 -0.07 0.09 0.00 0.00 178.44 179.48 3gem h LEU 217 N 0.13 1.02 0.00 1.67 3.38 -0.81 -2.66 115.31 118.03 3gem h LEU 217 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3gem h LEU 217 Cb 0.72 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gem h LEU 217 CO 0.05 0.88 -0.20 0.47 0.09 0.00 0.00 178.44 179.73 3gem n ASP 218 N -4.36 0.30 -4.81 -0.43 8.00 -0.21 -4.87 116.55 110.17 3gem n ASP 218 Ca 0.07 0.26 -0.32 0.00 0.71 0.00 0.00 54.79 55.51 3gem n ASP 218 Cb 0.15 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.01 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 -3.28 5.72 -0.00 -2.24 1.04 -0.92 -4.97 113.70 109.04 3gem s SER 219 Ca 0.12 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.32 3gem s SER 219 Cb 0.17 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.70 3gem s SER 219 CO 0.60 -1.21 0.18 0.35 0.98 0.00 0.00 173.24 174.14 3gem n THR 220 N -2.39 0.00 -0.74 2.02 -2.24 -1.26 -4.80 114.28 104.87 3gem n THR 220 Ca 0.08 -0.25 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3gem n THR 220 Cb 0.53 0.69 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 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 -1.41 0.00 -4.15 4.78 9.36 -1.26 -5.00 117.16 119.49 3gem n TYR 221 Ca -0.00 -0.53 -0.34 0.00 3.32 0.00 0.00 57.90 60.36 3gem n TYR 221 Cb 0.12 -0.07 -0.15 0.00 -0.63 0.00 0.00 39.34 38.60 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 -1.34 2.53 0.00 2.97 1.01 -1.26 -5.09 120.40 119.22 3gem s VAL 222 Ca 0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3gem s VAL 222 Cb 0.09 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.42 3gem s VAL 222 CO 0.01 0.50 0.42 0.28 0.00 0.00 0.00 175.10 176.31 3gem s THR 223 N 1.25 0.05 -0.02 3.92 -1.32 -1.26 -4.69 115.64 113.56 3gem s THR 223 Ca 0.03 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 3gem s THR 223 Cb -0.14 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 3gem s THR 223 CO -0.08 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 3gem n GLY 224 N 0.92 0.44 3.80 6.08 0.00 0.83 -4.96 105.19 112.30 3gem n GLY 224 Ca -0.20 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.87 3.81 -0.07 2.61 -4.23 -1.26 -4.71 115.64 109.94 3gem s THR 225 Ca 0.00 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3gem s THR 225 Cb 0.00 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.66 3gem s THR 225 CO 0.00 -0.27 -0.04 -0.89 -0.54 0.00 0.00 174.62 172.88 3gem s THR 226 N -2.26 0.65 -0.14 3.99 2.01 -1.26 -0.07 115.64 118.57 3gem s THR 226 Ca 0.36 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 3gem s THR 226 Cb -0.06 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 3gem s THR 226 CO 0.25 0.28 0.72 -0.76 -0.69 0.00 0.00 174.62 174.42 3gem s LEU 227 N 1.40 4.22 -0.15 4.42 1.43 0.47 -4.90 118.68 125.57 3gem s LEU 227 Ca -0.03 1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.95 3gem s LEU 227 Cb -0.13 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3gem s LEU 227 CO -0.03 -0.25 0.57 -0.89 0.23 0.00 0.00 176.35 175.98 3gem s THR 228 N 1.54 5.09 -0.47 5.49 2.01 -1.26 0.02 115.64 128.06 3gem s THR 228 Ca 0.35 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.49 3gem s THR 228 Cb -0.17 -3.90 0.14 0.00 0.01 0.00 0.00 72.50 68.58 3gem s THR 228 CO 0.14 0.21 0.27 -0.69 -0.69 0.00 0.00 174.62 173.86 3gem s VAL 229 N 1.29 1.56 0.00 3.82 1.01 -0.87 -4.93 120.40 122.29 3gem s VAL 229 Ca 0.28 -2.77 0.00 0.00 0.00 0.00 0.00 61.98 59.49 3gem s VAL 229 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3gem s VAL 229 CO 0.11 -0.92 0.80 -0.46 0.00 0.00 0.00 175.10 174.64 3gem n ASN 230 N 3.33 0.00 -2.25 3.32 6.94 -1.26 -1.55 115.26 123.80 3gem n ASN 230 Ca 0.10 -1.64 -0.14 0.00 -0.02 0.00 0.00 54.58 52.89 3gem n ASN 230 Cb 0.35 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.17 2.20 4.83 0.00 -1.26 -1.53 105.19 109.27 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 -0.74 0.64 0.37 -0.02 0.00 -1.26 -0.72 105.19 103.46 3gem n GLY 232 Ca -0.16 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 0.70 0.00 1.61 2.43 -1.52 0.99 114.38 118.59 3gem h ARG 233 Ca -0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3gem h ARG 233 Cb 0.76 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3gem h ARG 233 CO 0.24 0.46 0.00 1.12 -1.51 0.00 0.00 179.97 180.28 3gem h HIS 234 N 0.72 0.00 0.00 2.20 2.07 -1.89 -2.69 115.15 115.56 3gem h HIS 234 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 3gem h HIS 234 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 3gem h HIS 234 CO -0.00 0.00 -1.14 1.33 -3.07 0.00 0.00 177.93 175.05 3gem n VAL 235 N -2.45 0.00 1.99 6.12 0.24 0.26 -5.17 118.33 119.32 3gem n VAL 235 Ca 0.01 -0.16 0.16 0.00 -2.04 0.00 0.00 64.34 62.32 3gem n VAL 235 Cb 0.22 0.76 0.94 0.00 -1.47 0.00 0.00 33.84 34.29 3gem n VAL 235 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86