#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k s SER 2 N 0.00 -0.36 -0.69 1.61 0.01 -1.26 -5.08 113.70 107.93 2e9k s SER 2 Ca 0.00 -0.24 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 2e9k s SER 2 Cb 0.00 0.56 -0.13 0.00 0.21 0.00 0.00 66.02 66.66 2e9k s SER 2 CO 0.00 -0.97 2.42 -0.24 0.41 0.00 0.00 173.24 174.86 2e9k n SER 3 N -0.39 1.78 -0.31 2.44 2.88 -1.26 -4.71 113.62 114.05 2e9k n SER 3 Ca -0.09 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 2e9k n SER 3 Cb 0.62 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 2e9k n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9k n GLY 4 N 6.40 0.33 1.51 0.46 0.00 -1.26 -4.88 105.19 107.75 2e9k n GLY 4 Ca 0.45 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2e9k n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e9k n SER 5 N -2.95 0.38 -3.20 1.61 2.88 -1.26 -5.06 113.62 106.02 2e9k n SER 5 Ca 0.00 0.26 -0.37 0.00 -1.33 0.00 0.00 58.87 57.43 2e9k n SER 5 Cb 0.00 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 2e9k n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e9k n SER 6 N -3.30 -0.70 0.00 -3.46 3.41 -1.26 -4.89 113.62 103.42 2e9k n SER 6 Ca 0.00 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 2e9k n SER 6 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2e9k n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9k n GLY 7 N 1.37 -1.16 1.98 5.00 0.00 -1.26 -5.16 105.19 105.95 2e9k n GLY 7 Ca 0.13 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 2e9k n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e9k n ASP 8 N 0.45 2.16 -4.68 1.61 8.00 -1.26 -5.16 116.55 117.66 2e9k n ASP 8 Ca 0.00 -2.05 -0.24 0.00 0.71 0.00 0.00 54.79 53.21 2e9k n ASP 8 Cb 0.00 0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 2e9k n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2e9k s ILE 9 N -1.58 2.67 -0.04 0.53 -1.09 -1.26 -5.08 121.20 115.35 2e9k s ILE 9 Ca 0.12 -1.84 -0.01 0.00 -2.23 0.00 0.00 60.65 56.69 2e9k s ILE 9 Cb -0.01 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2e9k s ILE 9 CO 0.07 -0.15 0.11 0.03 -1.23 0.00 0.00 174.94 173.77 2e9k h ARG 10 N 1.65 -0.05 0.00 2.79 2.47 -2.01 -3.14 114.38 116.09 2e9k h ARG 10 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2e9k h ARG 10 Cb 1.25 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 2e9k h ARG 10 CO 0.67 -0.03 0.00 -0.35 0.56 0.00 0.00 179.97 180.81 2e9k n PRO 11 N -3.19 0.49 -0.08 0.04 -0.04 -1.26 -1.52 135.00 129.43 2e9k n PRO 11 Ca -0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2e9k n PRO 11 Cb 0.02 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 2e9k n PRO 11 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2e9k n SER 12 N -0.88 1.43 -0.00 3.54 2.88 -1.25 -4.03 113.62 115.29 2e9k n SER 12 Ca 0.09 0.04 -0.01 0.00 -1.33 0.00 0.00 58.87 57.65 2e9k n SER 12 Cb 0.04 -0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 63.24 2e9k n SER 12 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2e9k n LYS 13 N -3.17 0.64 -0.19 -1.46 3.00 -1.05 -4.21 118.16 111.73 2e9k n LYS 13 Ca -0.36 0.13 -0.10 0.00 -0.00 0.00 0.00 58.31 57.98 2e9k n LYS 13 Cb 1.05 -1.71 0.01 0.00 0.00 0.00 0.00 35.03 34.38 2e9k n LYS 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2e9k h LEU 14 N 0.00 0.98 -0.08 3.14 5.85 -1.49 -3.17 115.31 120.54 2e9k h LEU 14 Ca -0.23 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.21 2e9k h LEU 14 Cb 1.68 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 2e9k h LEU 14 CO 0.04 1.07 -0.27 0.25 -0.34 0.00 0.00 178.44 179.19 2e9k h LEU 15 N 0.86 -0.82 -0.44 2.25 5.85 -1.73 -2.71 115.31 118.57 2e9k h LEU 15 Ca 0.15 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2e9k h LEU 15 Cb 0.59 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2e9k h LEU 15 CO 0.04 -0.32 -0.56 0.74 -0.34 0.00 0.00 178.44 177.99 2e9k h THR 16 N -0.37 0.00 -0.75 1.05 2.02 -1.73 -0.45 112.91 112.68 2e9k h THR 16 Ca 0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 2e9k h THR 16 Cb 0.49 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.79 2e9k h THR 16 CO -0.29 0.00 -0.49 -0.25 0.37 0.00 0.00 175.52 174.86 2e9k h TRP 17 N -0.38 -1.49 0.06 3.16 7.01 -1.51 0.51 115.95 123.32 2e9k h TRP 17 Ca 0.08 0.10 0.02 0.00 2.11 0.00 0.00 58.89 61.20 2e9k h TRP 17 Cb 0.58 0.75 -0.05 0.00 -2.10 0.00 0.00 29.16 28.35 2e9k h TRP 17 CO -0.74 -0.42 -0.42 0.00 -2.79 0.00 0.00 178.44 174.07 2e9k h GLN 19 N -0.61 0.34 0.29 0.00 4.20 0.13 0.31 115.11 119.77 2e9k h GLN 19 Ca 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2e9k h GLN 19 Cb 0.66 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2e9k h GLN 19 CO -0.28 0.23 -0.14 1.96 -0.67 0.00 0.00 178.83 179.93 2e9k h GLN 20 N 0.35 -0.37 -0.69 1.46 4.20 0.06 -2.40 115.11 117.72 2e9k h GLN 20 Ca 0.55 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.38 2e9k h GLN 20 Cb 1.04 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.83 2e9k h GLN 20 CO -0.55 -0.15 0.31 1.96 -0.67 0.00 0.00 178.83 179.73 2e9k h GLN 21 N -0.52 0.50 -0.93 1.46 1.08 0.25 0.19 115.11 117.15 2e9k h GLN 21 Ca -0.04 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2e9k h GLN 21 Cb 0.39 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2e9k h GLN 21 CO 0.06 0.33 0.02 0.25 -0.95 0.00 0.00 178.83 178.54 2e9k n THR 22 N -4.92 0.65 -2.84 -0.54 -2.24 -0.04 -4.73 114.28 99.62 2e9k n THR 22 Ca 0.11 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2e9k n THR 22 Cb 0.30 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 2e9k n THR 22 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2e9k s GLU 23 N -1.25 4.51 0.00 -0.78 2.12 0.67 -3.88 118.70 120.09 2e9k s GLU 23 Ca 0.11 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.65 2e9k s GLU 23 Cb 0.08 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2e9k s GLU 23 CO 0.03 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2e9k n GLY 24 N 2.98 3.11 3.47 -1.50 0.00 -1.26 -5.06 105.19 106.93 2e9k n GLY 24 Ca 0.03 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2e9k n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2e9k n TYR 25 N 0.00 -0.52 -3.61 1.61 4.01 -1.25 -4.97 117.16 112.43 2e9k n TYR 25 Ca 0.00 0.49 -0.30 0.00 -0.16 0.00 0.00 57.90 57.93 2e9k n TYR 25 Cb 0.00 -1.98 -0.04 0.00 -0.31 0.00 0.00 39.34 37.01 2e9k n TYR 25 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2e9k s GLN 26 N -1.92 3.62 -1.83 -0.72 -0.21 -1.26 -4.17 119.66 113.17 2e9k s GLN 26 Ca 0.67 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.95 2e9k s GLN 26 Cb -0.50 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2e9k s GLN 26 CO 0.56 0.41 0.00 0.72 -2.12 0.00 0.00 175.29 174.85 2e9k n HIS 27 N -0.23 -0.63 -3.82 0.91 8.25 -1.26 -4.94 115.22 113.50 2e9k n HIS 27 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.13 2e9k n HIS 27 Cb 0.52 -3.54 -0.15 0.00 1.12 0.00 0.00 29.99 27.94 2e9k n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2e9k s VAL 28 N -2.81 1.37 -0.35 1.59 1.01 -1.26 -5.07 120.40 114.88 2e9k s VAL 28 Ca 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 2e9k s VAL 28 Cb 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 36.38 34.44 2e9k s VAL 28 CO 0.00 -0.67 0.09 0.21 0.00 0.00 0.00 175.10 174.73 2e9k s ASN 29 N 1.28 5.01 -0.47 3.32 2.47 -1.26 -4.90 114.94 120.39 2e9k s ASN 29 Ca 0.11 -1.77 -0.20 0.00 0.42 0.00 0.00 52.86 51.43 2e9k s ASN 29 Cb -0.18 -1.74 0.04 0.00 -1.45 0.00 0.00 41.25 37.92 2e9k s ASN 29 CO -0.18 -0.40 0.61 -0.69 -3.72 0.00 0.00 177.10 172.72 2e9k s VAL 30 N 1.13 4.88 -0.01 -5.21 1.01 -1.26 -4.82 120.40 116.12 2e9k s VAL 30 Ca 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2e9k s VAL 30 Cb -0.21 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2e9k s VAL 30 CO -0.04 -0.68 0.01 0.35 0.00 0.00 0.00 175.10 174.74 2e9k n THR 31 N 5.69 0.04 -4.24 3.92 -2.24 -1.26 -4.89 114.28 111.30 2e9k n THR 31 Ca -0.05 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 2e9k n THR 31 Cb 0.47 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 2e9k n THR 31 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2e9k n ASP 32 N -1.81 0.72 -0.63 3.42 2.03 -1.26 -5.07 116.55 113.96 2e9k n ASP 32 Ca -0.01 -2.16 0.06 0.00 0.52 0.00 0.00 54.79 53.20 2e9k n ASP 32 Cb 0.30 0.64 0.20 0.00 -0.72 0.00 0.00 41.12 41.55 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2e9k n LEU 33 N 0.00 2.66 0.00 -2.67 4.77 -1.26 -4.41 117.00 116.09 2e9k n LEU 33 Ca -0.01 -3.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.12 2e9k n LEU 33 Cb 0.33 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2e9k n LEU 33 CO 0.17 1.38 0.00 0.35 -1.33 0.00 0.00 177.39 177.96 2e9k n THR 34 N -1.07 0.00 0.05 -5.08 -2.24 -1.26 -4.64 114.28 100.03 2e9k n THR 34 Ca 0.19 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.90 2e9k n THR 34 Cb 0.70 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 2e9k n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e9k h THR 35 N 0.00 1.47 0.00 4.28 1.03 -1.87 -3.25 112.91 114.57 2e9k h THR 35 Ca 0.00 -3.17 0.00 0.00 -0.01 0.00 0.00 66.41 63.23 2e9k h THR 35 Cb 0.00 2.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.80 2e9k h THR 35 CO 0.00 0.84 0.05 0.28 -0.01 0.00 0.00 175.52 176.67 2e9k h SER 36 N 0.00 0.00 0.00 0.00 0.02 -1.89 -0.06 113.55 111.62 2e9k h SER 36 Ca -0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2e9k h SER 36 Cb 1.78 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.23 2e9k h SER 36 CO 0.11 0.00 -0.61 0.79 -1.14 0.00 0.00 176.83 175.99 2e9k n TRP 37 N -2.32 0.00 -0.00 3.45 7.02 -1.22 -4.38 117.44 119.98 2e9k n TRP 37 Ca -0.02 -1.26 -0.16 0.00 -1.02 0.00 0.00 57.50 55.05 2e9k n TRP 37 Cb 0.08 -0.22 -0.14 0.00 -2.42 0.00 0.00 31.31 28.61 2e9k n TRP 37 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2e9k h ARG 38 N 0.97 0.15 0.02 -0.99 0.11 -1.08 -3.37 114.38 110.20 2e9k h ARG 38 Ca -0.05 -0.26 -0.24 0.00 0.10 0.00 0.00 59.98 59.53 2e9k h ARG 38 Cb 1.20 0.10 0.01 0.00 1.11 0.00 0.00 29.97 32.38 2e9k h ARG 38 CO 0.02 0.90 -0.99 1.03 0.10 0.00 0.00 179.97 181.03 2e9k h SER 39 N 0.04 0.57 0.00 0.08 0.87 -1.85 -3.41 113.55 109.86 2e9k h SER 39 Ca -0.35 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2e9k h SER 39 Cb 2.03 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2e9k h SER 39 CO 0.09 1.28 0.00 0.61 -0.53 0.00 0.00 176.83 178.28 2e9k n GLY 40 N 1.03 2.95 0.15 5.77 0.00 -1.26 -4.12 105.19 109.72 2e9k n GLY 40 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2e9k n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e9k n LEU 41 N 0.00 0.60 0.14 0.99 4.77 -1.26 -1.22 117.00 121.02 2e9k n LEU 41 Ca 0.00 0.73 -0.07 0.00 -0.03 0.00 0.00 56.01 56.65 2e9k n LEU 41 Cb 0.00 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 2e9k n LEU 41 CO 0.00 -0.84 0.18 0.00 -1.33 0.00 0.00 177.39 175.40 2e9k h ALA 42 N 2.08 -0.44 -0.21 -1.18 0.00 -1.91 -2.92 119.26 114.68 2e9k h ALA 42 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2e9k h ALA 42 Cb 0.11 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2e9k h ALA 42 CO 0.00 -0.41 -0.22 1.25 0.00 0.00 0.00 179.25 179.87 2e9k h LEU 43 N -1.11 0.55 -1.90 0.00 5.85 -1.85 -3.01 115.31 113.84 2e9k h LEU 43 Ca -0.04 -0.48 0.18 0.00 0.84 0.00 0.00 57.88 58.37 2e9k h LEU 43 Cb 0.34 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2e9k h LEU 43 CO 0.07 0.93 0.47 0.00 -0.34 0.00 0.00 178.44 179.57 2e9k h ALA 45 N 1.67 0.14 -0.96 0.00 0.00 -1.37 0.64 119.26 119.38 2e9k h ALA 45 Ca 0.32 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2e9k h ALA 45 Cb 1.14 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2e9k h ALA 45 CO -0.03 -0.13 0.63 0.82 0.00 0.00 0.00 179.25 180.54 2e9k h ILE 46 N -0.13 1.16 0.07 0.00 2.04 -1.20 0.57 117.51 120.01 2e9k h ILE 46 Ca 0.02 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2e9k h ILE 46 Cb 0.44 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2e9k h ILE 46 CO 0.01 0.22 -0.03 0.40 0.00 0.00 0.00 178.15 178.75 2e9k h ILE 47 N 1.20 1.23 0.00 -0.67 2.04 -1.36 -2.89 117.51 117.07 2e9k h ILE 47 Ca 0.39 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2e9k h ILE 47 Cb 0.02 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2e9k h ILE 47 CO -0.12 0.32 0.00 -0.74 0.00 0.00 0.00 178.15 177.61 2e9k h HIS 48 N -0.73 0.00 0.14 1.37 6.17 -0.70 0.31 115.15 121.71 2e9k h HIS 48 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 2e9k h HIS 48 Cb 0.59 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.52 2e9k h HIS 48 CO 0.12 0.00 -0.07 -0.09 0.71 0.00 0.00 177.93 178.61 2e9k h ARG 49 N 0.00 -0.18 0.22 5.26 9.65 0.19 -3.08 114.38 126.45 2e9k h ARG 49 Ca 0.00 0.01 -0.32 0.00 -1.10 0.00 0.00 59.98 58.57 2e9k h ARG 49 Cb 0.29 0.04 0.03 0.00 -1.39 0.00 0.00 29.97 28.95 2e9k h ARG 49 CO 0.00 0.15 -1.42 0.27 2.80 0.00 0.00 179.97 181.77 2e9k h PHE 50 N -0.98 0.89 -2.77 2.20 -5.15 -1.44 -3.41 116.94 106.27 2e9k h PHE 50 Ca -0.02 -0.64 -0.60 0.00 -0.20 0.00 0.00 57.97 56.51 2e9k h PHE 50 Cb 0.41 -0.04 -0.39 0.00 0.22 0.00 0.00 35.95 36.15 2e9k h PHE 50 CO 0.07 1.50 -0.80 1.03 -2.00 0.00 0.00 178.31 178.11 2e9k s ARG 51 N -2.63 0.92 0.47 6.09 1.81 0.11 -4.97 118.95 120.74 2e9k s ARG 51 Ca -0.08 -1.68 0.26 0.00 -1.72 0.00 0.00 55.73 52.51 2e9k s ARG 51 Cb 0.05 -1.80 1.09 0.00 -0.45 0.00 0.00 34.95 33.83 2e9k s ARG 51 CO 0.93 -1.19 1.90 -1.00 -0.68 0.00 0.00 175.30 175.26 2e9k h PRO 52 N 6.83 0.00 -0.08 3.54 0.13 -1.63 -2.93 132.00 137.86 2e9k h PRO 52 Ca 0.03 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.19 2e9k h PRO 52 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2e9k h PRO 52 CO 0.37 0.19 0.07 1.49 -0.23 0.00 0.00 178.00 179.89 2e9k h GLU 53 N 0.00 0.00 0.06 0.86 4.57 -1.90 -2.60 114.58 115.57 2e9k h GLU 53 Ca -0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2e9k h GLU 53 Cb 0.63 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2e9k h GLU 53 CO 0.02 0.00 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.12 2e9k h LEU 54 N 0.00 0.18 -8.38 1.64 3.38 -1.85 -3.47 115.31 106.81 2e9k h LEU 54 Ca 0.04 -0.88 -0.41 0.00 0.09 0.00 0.00 57.88 56.72 2e9k h LEU 54 Cb 0.17 -0.06 -0.22 0.00 0.09 0.00 0.00 40.66 40.64 2e9k h LEU 54 CO -0.00 1.29 -0.78 -0.63 0.09 0.00 0.00 178.44 178.41 2e9k s ILE 55 N -2.34 1.07 -0.30 1.22 1.01 -0.98 -5.03 121.20 115.85 2e9k s ILE 55 Ca -0.19 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.22 2e9k s ILE 55 Cb 0.01 -1.03 0.10 0.00 0.01 0.00 0.00 42.46 41.55 2e9k s ILE 55 CO 0.72 -0.19 0.09 0.54 0.00 0.00 0.00 174.94 176.09 2e9k s ASN 56 N -1.62 4.03 0.30 3.58 6.03 -1.26 -4.35 114.94 121.65 2e9k s ASN 56 Ca -0.02 -1.62 0.05 0.00 -1.03 0.00 0.00 52.86 50.24 2e9k s ASN 56 Cb -0.10 -0.92 0.75 0.00 -3.03 0.00 0.00 41.25 37.96 2e9k s ASN 56 CO 0.02 -0.40 1.71 0.15 -2.03 0.00 0.00 177.10 176.55 2e9k h PHE 57 N 8.05 0.75 -0.89 1.54 3.04 -1.91 0.36 116.94 127.88 2e9k h PHE 57 Ca -0.13 0.04 0.24 0.00 3.98 0.00 0.00 57.97 62.10 2e9k h PHE 57 Cb 1.02 -0.19 -0.15 0.00 2.56 0.00 0.00 35.95 39.19 2e9k h PHE 57 CO 0.37 -0.00 0.15 -0.44 -2.02 0.00 0.00 178.31 176.37 2e9k h ASP 58 N 0.46 -0.18 1.82 0.41 3.32 -2.02 1.09 116.42 121.32 2e9k h ASP 58 Ca 0.57 0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.81 2e9k h ASP 58 Cb 1.07 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 2e9k h ASP 58 CO -0.50 -0.23 -0.16 0.28 -1.72 0.00 0.00 179.24 176.91 2e9k h SER 59 N 0.12 0.00 -2.83 6.45 0.02 -1.38 -3.44 113.55 112.50 2e9k h SER 59 Ca 0.56 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.94 2e9k h SER 59 Cb 1.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 2e9k h SER 59 CO -0.74 0.16 1.01 -0.76 -1.14 0.00 0.00 176.83 175.36 2e9k s LEU 60 N -6.29 4.11 -0.26 5.07 1.43 0.38 -4.99 118.68 118.11 2e9k s LEU 60 Ca 0.06 1.74 -0.09 0.00 -1.03 0.00 0.00 54.13 54.81 2e9k s LEU 60 Cb 0.06 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2e9k s LEU 60 CO 0.69 -0.97 0.13 0.21 0.23 0.00 0.00 176.35 176.65 2e9k s ASN 61 N 2.98 5.63 0.26 2.29 2.47 -1.26 -4.93 114.94 122.37 2e9k s ASN 61 Ca 0.64 -0.08 -0.07 0.00 0.42 0.00 0.00 52.86 53.77 2e9k s ASN 61 Cb -0.25 -2.03 0.47 0.00 -1.45 0.00 0.00 41.25 37.99 2e9k s ASN 61 CO 0.23 -0.02 1.60 1.05 -3.72 0.00 0.00 177.10 176.24 2e9k h GLU 62 N 8.17 0.04 -0.06 0.43 4.11 -1.95 1.15 114.58 126.48 2e9k h GLU 62 Ca -0.37 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.07 2e9k h GLU 62 Cb 1.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2e9k h GLU 62 CO 0.58 0.03 0.05 -0.44 0.07 0.00 0.00 179.01 179.29 2e9k h ASP 63 N 0.04 0.02 -0.62 3.06 3.32 -1.97 -3.08 116.42 117.20 2e9k h ASP 63 Ca 0.44 -0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.81 2e9k h ASP 63 Cb 0.78 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 2e9k h ASP 63 CO -0.79 0.01 2.89 0.47 -1.72 0.00 0.00 179.24 180.11 2e9k n ASP 64 N -4.52 8.24 -0.05 6.45 9.92 0.40 -4.65 116.55 132.33 2e9k n ASP 64 Ca -0.02 -2.88 -0.11 0.00 -0.53 0.00 0.00 54.79 51.26 2e9k n ASP 64 Cb 0.14 -1.44 -0.05 0.00 -0.64 0.00 0.00 41.12 39.12 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9k h ALA 65 N 4.67 0.24 -0.19 2.24 0.00 -1.66 0.19 119.26 124.74 2e9k h ALA 65 Ca 0.76 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.60 2e9k h ALA 65 Cb 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2e9k h ALA 65 CO 1.55 -0.15 -0.23 0.28 0.00 0.00 0.00 179.25 180.70 2e9k h VAL 66 N 0.13 0.42 -0.25 0.00 2.07 -1.82 0.39 116.25 117.18 2e9k h VAL 66 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 2e9k h VAL 66 Cb 0.21 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2e9k h VAL 66 CO -0.00 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.20 2e9k h GLU 67 N -0.26 0.48 -0.02 1.57 4.39 -1.91 -2.53 114.58 116.29 2e9k h GLU 67 Ca 0.12 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2e9k h GLU 67 Cb 0.45 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2e9k h GLU 67 CO -0.34 0.69 -0.46 -0.91 -1.16 0.00 0.00 179.01 176.83 2e9k h ASN 68 N 0.22 -1.40 0.30 1.42 2.35 -0.19 -0.13 115.58 118.15 2e9k h ASN 68 Ca 0.06 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2e9k h ASN 68 Cb 0.51 0.55 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2e9k h ASN 68 CO 0.02 -0.48 -0.30 0.78 -1.65 0.00 0.00 177.43 175.81 2e9k h ASN 69 N -0.59 -0.82 -0.99 5.81 2.35 -0.97 -2.38 115.58 117.99 2e9k h ASN 69 Ca 0.04 0.07 0.25 0.00 -0.55 0.00 0.00 56.30 56.11 2e9k h ASN 69 Cb 0.67 0.27 -0.19 0.00 0.05 0.00 0.00 38.32 39.13 2e9k h ASN 69 CO -0.35 -0.40 -0.06 -0.61 -1.65 0.00 0.00 177.43 174.37 2e9k h GLN 70 N -0.60 0.00 0.06 0.81 5.75 -1.33 -1.11 115.11 118.70 2e9k h GLN 70 Ca -0.04 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2e9k h GLN 70 Cb 0.52 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 2e9k h GLN 70 CO -0.04 0.00 -0.09 1.25 -2.65 0.00 0.00 178.83 177.31 2e9k h LEU 71 N 0.00 -0.25 -0.90 -2.39 5.85 -0.65 0.13 115.31 117.11 2e9k h LEU 71 Ca 0.56 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.48 2e9k h LEU 71 Cb 1.07 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.02 2e9k h LEU 71 CO -0.96 -0.11 -0.23 0.00 -0.34 0.00 0.00 178.44 176.81 2e9k h ALA 72 N -1.52 0.58 -0.25 1.25 0.00 -0.75 0.33 119.26 118.89 2e9k h ALA 72 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2e9k h ALA 72 Cb 0.14 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2e9k h ALA 72 CO -0.03 -0.40 0.07 0.74 0.00 0.00 0.00 179.25 179.63 2e9k h PHE 73 N -0.00 0.12 -0.55 0.00 0.04 -0.99 -1.72 116.94 113.83 2e9k h PHE 73 Ca 0.43 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.24 2e9k h PHE 73 Cb 0.66 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 2e9k h PHE 73 CO -0.71 0.04 0.34 0.22 -0.60 0.00 0.00 178.31 177.60 2e9k h ASP 74 N 0.17 0.55 -0.80 2.17 3.58 0.23 -1.95 116.42 120.38 2e9k h ASP 74 Ca 0.11 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.62 2e9k h ASP 74 Cb 0.10 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2e9k h ASP 74 CO -0.14 0.39 0.53 0.58 -2.88 0.00 0.00 179.24 177.71 2e9k h VAL 75 N 0.67 1.08 0.71 2.25 2.07 -0.33 0.23 116.25 122.92 2e9k h VAL 75 Ca 0.22 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2e9k h VAL 75 Cb 0.01 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2e9k h VAL 75 CO -0.09 0.17 -0.34 0.00 0.02 0.00 0.00 177.57 177.32 2e9k h ALA 76 N 1.55 -0.95 0.00 1.67 0.00 -0.60 0.29 119.26 121.22 2e9k h ALA 76 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2e9k h ALA 76 Cb 0.15 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2e9k h ALA 76 CO -0.11 -0.90 0.00 -1.91 0.00 0.00 0.00 179.25 176.33 2e9k n GLU 77 N -5.41 0.16 0.00 0.00 0.00 -0.84 0.23 120.64 114.78 2e9k n GLU 77 Ca -0.12 0.52 -0.18 0.00 0.00 0.00 0.00 57.16 57.37 2e9k n GLU 77 Cb 0.38 -1.89 -0.14 0.00 0.00 0.00 0.00 31.44 29.79 2e9k n GLU 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2e9k h ARG 78 N 0.00 0.21 0.00 5.31 2.43 -0.36 -3.21 114.38 118.76 2e9k h ARG 78 Ca 0.00 -0.36 -0.22 0.00 -0.81 0.00 0.00 59.98 58.59 2e9k h ARG 78 Cb 0.19 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2e9k h ARG 78 CO 0.00 1.05 -1.64 0.39 -1.51 0.00 0.00 179.97 178.26 2e9k n GLU 79 N -3.38 0.42 0.10 0.20 -0.58 0.10 -4.60 120.64 112.90 2e9k n GLU 79 Ca -0.28 0.18 0.13 0.00 -0.42 0.00 0.00 57.16 56.77 2e9k n GLU 79 Cb 1.05 -1.22 0.31 0.00 -0.57 0.00 0.00 31.44 31.01 2e9k n GLU 79 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2e9k h PHE 80 N -0.74 0.00 0.00 -0.32 0.04 0.27 -3.47 116.94 112.72 2e9k h PHE 80 Ca -0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.44 2e9k h PHE 80 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2e9k h PHE 80 CO -0.16 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 177.96 2e9k n GLY 81 N 1.29 0.40 3.66 -1.45 0.00 0.53 -4.87 105.19 104.76 2e9k n GLY 81 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2e9k n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2e9k s ILE 82 N -2.11 4.17 0.26 -0.61 1.01 -1.17 -4.69 121.20 118.05 2e9k s ILE 82 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 2e9k s ILE 82 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 2e9k s ILE 82 CO 0.00 -0.11 1.26 -2.16 0.00 0.00 0.00 174.94 173.94 2e9k s PRO 83 N 3.36 4.43 0.62 2.79 0.04 -1.26 -2.53 135.00 142.44 2e9k s PRO 83 Ca 0.57 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 2e9k s PRO 83 Cb -0.24 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2e9k s PRO 83 CO 0.18 -0.14 1.12 -1.25 0.04 0.00 0.00 177.00 176.95 2e9k s PRO 84 N -0.90 2.99 -0.17 0.56 0.04 -1.26 -4.99 135.00 131.28 2e9k s PRO 84 Ca 0.52 1.47 0.17 0.00 0.04 0.00 0.00 61.00 63.20 2e9k s PRO 84 Cb -0.37 -1.97 -0.25 0.00 0.04 0.00 0.00 34.50 31.96 2e9k s PRO 84 CO 0.43 -1.11 0.19 1.33 0.04 0.00 0.00 177.00 177.88 2e9k n VAL 85 N -2.03 1.40 -4.07 -0.36 0.24 -1.26 -4.99 118.33 107.26 2e9k n VAL 85 Ca 0.11 -0.84 -0.10 0.00 -2.04 0.00 0.00 64.34 61.47 2e9k n VAL 85 Cb 0.52 -0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 32.23 2e9k n VAL 85 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2e9k s THR 86 N -2.53 0.35 -0.05 3.34 -1.32 -1.26 -5.14 115.64 109.03 2e9k s THR 86 Ca -0.09 -1.41 -0.20 0.00 -1.21 0.00 0.00 61.69 58.78 2e9k s THR 86 Cb 0.07 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2e9k s THR 86 CO 0.83 -0.69 0.58 0.42 -2.21 0.00 0.00 174.62 173.55 2e9k s THR 87 N -2.57 5.01 0.26 5.08 -4.23 -1.26 -4.92 115.64 113.02 2e9k s THR 87 Ca -0.03 1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 61.67 2e9k s THR 87 Cb -0.02 -3.92 0.38 0.00 1.34 0.00 0.00 72.50 70.28 2e9k s THR 87 CO -0.04 0.36 1.37 0.61 -0.54 0.00 0.00 174.62 176.38 2e9k n GLY 88 N 2.78 -1.28 0.44 3.99 0.00 -1.26 -0.25 105.19 109.61 2e9k n GLY 88 Ca -0.06 0.88 -0.16 0.00 0.00 0.00 0.00 46.02 46.68 2e9k n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9k h LYS 89 N 0.00 -0.87 -0.82 1.61 1.79 -1.93 -2.30 116.57 114.04 2e9k h LYS 89 Ca 0.49 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 59.11 2e9k h LYS 89 Cb 0.94 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.71 2e9k h LYS 89 CO -0.85 -0.58 0.47 1.49 -1.08 0.00 0.00 179.45 178.90 2e9k h GLU 90 N -0.91 0.78 -0.37 3.15 4.57 -1.24 -2.48 114.58 118.08 2e9k h GLU 90 Ca -0.06 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2e9k h GLU 90 Cb 0.78 -0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 29.11 2e9k h GLU 90 CO -0.04 0.51 -0.42 1.98 -1.18 0.00 0.00 179.01 179.86 2e9k h MET 91 N 0.80 -0.33 0.00 1.92 4.05 -0.27 0.67 114.93 121.76 2e9k h MET 91 Ca 0.39 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 2e9k h MET 91 Cb 0.35 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2e9k h MET 91 CO -0.24 -0.22 0.00 0.00 0.23 0.00 0.00 176.91 176.68 2e9k h ALA 92 N 0.39 1.00 0.00 0.39 0.00 -1.00 -3.05 119.26 116.99 2e9k h ALA 92 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2e9k h ALA 92 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2e9k h ALA 92 CO -0.55 0.00 -0.00 1.03 0.00 0.00 0.00 179.25 179.73 2e9k h SER 93 N 0.00 -0.00 -2.46 0.00 0.87 0.64 -3.43 113.55 109.16 2e9k h SER 93 Ca 0.00 -0.21 -0.56 0.00 -1.23 0.00 0.00 61.79 59.79 2e9k h SER 93 Cb 0.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2e9k h SER 93 CO 0.00 0.60 1.32 0.00 -0.53 0.00 0.00 176.83 178.22 2e9k s ALA 94 N -2.50 2.69 0.04 6.23 0.00 0.16 -4.90 121.76 123.48 2e9k s ALA 94 Ca -0.04 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 2e9k s ALA 94 Cb -0.01 -4.08 -0.06 0.00 0.00 0.00 0.00 23.12 18.97 2e9k s ALA 94 CO 0.15 -2.92 1.22 1.96 0.00 0.00 0.00 175.76 176.17 2e9k h GLN 95 N 13.67 -0.32 -4.40 0.00 4.20 -1.84 -3.37 115.11 123.05 2e9k h GLN 95 Ca -0.33 0.02 -0.69 0.00 0.06 0.00 0.00 58.65 57.71 2e9k h GLN 95 Cb 1.18 0.07 -0.35 0.00 0.30 0.00 0.00 27.48 28.68 2e9k h GLN 95 CO 1.06 -0.21 -0.54 -2.00 -0.67 0.00 0.00 178.83 176.47 2e9k s GLU 96 N -4.12 2.03 0.79 1.46 2.56 -1.26 -4.67 118.70 115.49 2e9k s GLU 96 Ca -0.07 -1.90 -0.13 0.00 0.00 0.00 0.00 54.97 52.88 2e9k s GLU 96 Cb 0.02 -3.58 0.20 0.00 2.00 0.00 0.00 34.13 32.77 2e9k s GLU 96 CO 0.24 -1.08 0.70 -0.35 -0.56 0.00 0.00 175.26 174.21 2e9k n PRO 97 N 4.47 -2.39 -2.76 4.30 -0.04 -1.26 -4.96 135.00 132.36 2e9k n PRO 97 Ca -0.01 -1.12 -0.43 0.00 -0.04 0.00 0.00 63.50 61.91 2e9k n PRO 97 Cb 0.41 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 2e9k n PRO 97 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2e9k s ASP 98 N -3.39 6.82 0.41 3.54 -1.08 -1.26 -4.91 116.67 116.81 2e9k s ASP 98 Ca 0.45 0.89 0.25 0.00 -0.52 0.00 0.00 52.55 53.62 2e9k s ASP 98 Cb -0.04 -2.49 1.32 0.00 -1.46 0.00 0.00 42.92 40.25 2e9k s ASP 98 CO 0.35 -0.77 1.65 0.11 0.52 0.00 0.00 175.17 177.02 2e9k h LYS 99 N 8.10 0.15 0.14 4.34 1.57 -1.93 -1.65 116.57 127.29 2e9k h LYS 99 Ca -0.22 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2e9k h LYS 99 Cb 1.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2e9k h LYS 99 CO 0.97 0.10 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.82 2e9k h LEU 100 N 0.16 -0.16 -1.66 2.94 -0.00 -1.90 -1.29 115.31 113.39 2e9k h LEU 100 Ca 0.78 0.01 0.48 0.00 -0.00 0.00 0.00 57.88 59.15 2e9k h LEU 100 Cb 2.26 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 42.89 2e9k h LEU 100 CO -0.46 -0.07 1.20 -1.20 -0.00 0.00 0.00 178.44 177.91 2e9k n SER 101 N -2.74 0.00 -0.06 -0.43 7.64 -0.67 0.16 113.62 117.52 2e9k n SER 101 Ca -0.02 0.84 -0.16 0.00 1.01 0.00 0.00 58.87 60.54 2e9k n SER 101 Cb 0.07 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.72 2e9k n SER 101 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2e9k h MET 102 N 0.00 0.04 -0.04 1.43 2.86 -1.36 -3.19 114.93 114.67 2e9k h MET 102 Ca 0.79 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 58.36 2e9k h MET 102 Cb 3.18 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 34.87 2e9k h MET 102 CO -0.01 1.03 0.02 0.28 1.06 0.00 0.00 176.91 179.29 2e9k h VAL 103 N -0.90 1.11 -0.88 -2.22 2.07 0.27 -0.67 116.25 115.03 2e9k h VAL 103 Ca -0.08 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.28 2e9k h VAL 103 Cb 1.15 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 2e9k h VAL 103 CO -0.01 0.09 0.57 0.00 0.02 0.00 0.00 177.57 178.24 2e9k h MET 104 N -0.06 0.56 -0.04 1.57 -0.00 -0.71 -0.45 114.93 115.79 2e9k h MET 104 Ca 0.02 -0.03 -0.23 0.00 -0.00 0.00 0.00 59.70 59.45 2e9k h MET 104 Cb 0.13 -0.13 0.02 0.00 -0.00 0.00 0.00 31.60 31.62 2e9k h MET 104 CO -0.00 0.37 -0.87 -0.92 -0.00 0.00 0.00 176.91 175.49 2e9k h TYR 105 N 0.58 0.96 0.00 -0.10 3.20 -1.46 -3.17 116.97 116.98 2e9k h TYR 105 Ca 0.45 -0.49 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 2e9k h TYR 105 Cb 0.87 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 2e9k h TYR 105 CO -0.00 1.32 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.67 2e9k h LEU 106 N 0.33 0.00 -0.80 2.82 3.38 0.24 -2.47 115.31 118.81 2e9k h LEU 106 Ca -0.10 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2e9k h LEU 106 Cb 1.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.24 2e9k h LEU 106 CO 0.17 0.10 0.52 0.28 0.09 0.00 0.00 178.44 179.61 2e9k h SER 107 N 0.00 0.92 -1.01 -0.43 0.02 -1.11 0.23 113.55 112.18 2e9k h SER 107 Ca -0.00 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.04 2e9k h SER 107 Cb 0.23 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.46 2e9k h SER 107 CO 0.01 0.68 0.63 0.11 -1.14 0.00 0.00 176.83 177.12 2e9k h LYS 108 N 1.09 0.96 0.00 3.45 6.56 -1.55 -1.66 116.57 125.41 2e9k h LYS 108 Ca 0.29 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.81 2e9k h LYS 108 Cb -0.11 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.33 2e9k h LYS 108 CO -0.06 0.63 -0.10 0.74 -2.06 0.00 0.00 179.45 178.60 2e9k h PHE 109 N 0.99 0.00 -0.98 -1.35 0.04 -1.51 -2.92 116.94 111.21 2e9k h PHE 109 Ca 0.50 0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.47 2e9k h PHE 109 Cb 0.51 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.47 2e9k h PHE 109 CO -0.00 0.48 -0.23 0.98 -0.60 0.00 0.00 178.31 178.93 2e9k n TYR 110 N -4.68 0.37 -0.11 -0.55 9.36 0.75 0.55 117.16 122.85 2e9k n TYR 110 Ca -0.06 1.20 -0.12 0.00 3.32 0.00 0.00 57.90 62.24 2e9k n TYR 110 Cb 0.24 -1.08 -0.03 0.00 -0.63 0.00 0.00 39.34 37.84 2e9k n TYR 110 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2e9k h GLU 111 N 0.00 0.72 -0.62 2.98 4.39 -1.45 -0.16 114.58 120.44 2e9k h GLU 111 Ca 0.48 -0.32 0.07 0.00 0.34 0.00 0.00 59.36 59.93 2e9k h GLU 111 Cb 0.75 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.33 2e9k h GLU 111 CO -1.01 0.93 0.30 1.25 -1.16 0.00 0.00 179.01 179.32 2e9k h LEU 112 N 0.49 0.40 0.08 1.33 5.85 0.31 -2.97 115.31 120.80 2e9k h LEU 112 Ca 0.07 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2e9k h LEU 112 Cb 0.73 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2e9k h LEU 112 CO 0.05 0.25 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.10 2e9k h PHE 113 N 0.54 -0.10 -3.03 1.25 -1.00 -0.57 -3.42 116.94 110.61 2e9k h PHE 113 Ca 0.30 -0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.51 2e9k h PHE 113 Cb 0.27 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 2e9k h PHE 113 CO -0.12 0.44 1.11 0.50 -1.61 0.00 0.00 178.31 178.64 2e9k s ARG 114 N -3.42 3.42 -0.42 1.51 3.52 -0.08 -4.90 118.95 118.59 2e9k s ARG 114 Ca -0.14 0.82 0.07 0.00 -0.13 0.00 0.00 55.73 56.34 2e9k s ARG 114 Cb 0.00 -4.09 0.22 0.00 -1.56 0.00 0.00 34.95 29.53 2e9k s ARG 114 CO 0.56 -1.76 0.53 0.41 -0.81 0.00 0.00 175.30 174.23 2e9k n GLY 115 N 5.20 2.12 2.89 8.12 0.00 -1.26 -4.68 105.19 117.58 2e9k n GLY 115 Ca 0.16 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e9k s THR 116 N -0.50 0.01 1.05 2.61 -1.32 -1.26 -5.16 115.64 111.07 2e9k s THR 116 Ca 0.34 -0.09 -0.14 0.00 -1.21 0.00 0.00 61.69 60.59 2e9k s THR 116 Cb 0.13 -0.05 0.21 0.00 -1.51 0.00 0.00 72.50 71.29 2e9k s THR 116 CO -0.15 -0.05 1.10 -2.16 -2.21 0.00 0.00 174.62 171.15 2e9k s PRO 117 N -0.14 0.01 0.72 7.08 0.04 -1.26 -5.02 135.00 136.44 2e9k s PRO 117 Ca -0.02 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.28 2e9k s PRO 117 Cb -0.01 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.86 2e9k s PRO 117 CO -0.00 -2.98 1.10 -0.48 0.04 0.00 0.00 177.00 174.68 2e9k s LEU 118 N -6.58 3.20 0.02 -3.56 0.05 -1.26 -5.06 118.68 105.48 2e9k s LEU 118 Ca 0.67 1.91 0.06 0.00 0.05 0.00 0.00 54.13 56.81 2e9k s LEU 118 Cb -0.17 -4.54 -0.02 0.00 -2.05 0.00 0.00 46.19 39.42 2e9k s LEU 118 CO 0.57 -1.85 -0.17 0.00 -0.55 0.00 0.00 176.35 174.35 2e9k s ARG 119 N -4.52 1.26 -0.36 1.48 1.70 -1.26 -5.10 118.95 112.16 2e9k s ARG 119 Ca 0.64 -0.74 -0.28 0.00 -0.47 0.00 0.00 55.73 54.87 2e9k s ARG 119 Cb -0.19 -1.28 -0.01 0.00 -0.57 0.00 0.00 34.95 32.90 2e9k s ARG 119 CO 0.49 0.34 1.70 -1.25 -1.08 0.00 0.00 175.30 175.50 2e9k s PRO 120 N -0.81 3.38 0.00 3.89 0.04 -1.26 -5.35 135.00 134.89 2e9k s PRO 120 Ca 0.06 1.29 0.31 0.00 0.04 0.00 0.00 61.00 62.69 2e9k s PRO 120 Cb -0.07 -4.16 1.76 0.00 0.04 0.00 0.00 34.50 32.07 2e9k s PRO 120 CO 0.01 -1.80 2.15 1.33 0.04 0.00 0.00 177.00 178.72