#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k n SER 2 N 0.00 1.17 -0.16 1.61 2.88 -1.26 -4.92 113.62 112.94 2e9k n SER 2 Ca 0.00 0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 58.24 2e9k n SER 2 Cb 0.00 -1.45 -0.00 0.00 -0.75 0.00 0.00 64.21 62.01 2e9k n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2e9k h SER 3 N 0.43 0.78 0.00 -3.46 4.64 -2.09 -3.40 113.55 110.45 2e9k h SER 3 Ca -0.49 -0.30 -0.23 0.00 -0.47 0.00 0.00 61.79 60.29 2e9k h SER 3 Cb 1.36 -0.21 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 2e9k h SER 3 CO 0.51 0.88 -0.45 0.61 -0.87 0.00 0.00 176.83 177.51 2e9k n GLY 4 N -0.40 0.42 3.73 -0.77 0.00 -1.26 -5.13 105.19 101.78 2e9k n GLY 4 Ca 0.00 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9k s SER 5 N -1.39 7.01 -0.21 1.61 0.15 -1.26 -5.02 113.70 114.59 2e9k s SER 5 Ca 0.25 2.26 -0.12 0.00 0.70 0.00 0.00 55.95 59.03 2e9k s SER 5 Cb 0.27 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 62.05 2e9k s SER 5 CO -0.11 -0.45 0.52 -0.94 1.20 0.00 0.00 173.24 173.46 2e9k s SER 6 N 0.38 -0.67 0.00 5.45 1.04 -1.26 -4.99 113.70 113.65 2e9k s SER 6 Ca 0.56 1.12 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2e9k s SER 6 Cb -0.34 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2e9k s SER 6 CO 0.36 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2e9k n GLY 7 N 4.15 2.66 3.05 7.32 0.00 -1.26 -5.06 105.19 116.05 2e9k n GLY 7 Ca -0.21 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 2e9k n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9k s ASP 8 N 0.00 1.84 0.00 1.61 -1.08 -1.26 -5.14 116.67 112.64 2e9k s ASP 8 Ca 0.00 -0.31 -0.01 0.00 -0.52 0.00 0.00 52.55 51.71 2e9k s ASP 8 Cb 0.00 -0.76 -0.04 0.00 -1.46 0.00 0.00 42.92 40.67 2e9k s ASP 8 CO 0.00 0.06 0.11 -0.63 0.52 0.00 0.00 175.17 175.24 2e9k s ILE 9 N 0.49 4.92 -0.04 4.11 -1.09 -1.26 -5.05 121.20 123.28 2e9k s ILE 9 Ca -0.12 -0.37 -0.08 0.00 -2.23 0.00 0.00 60.65 57.86 2e9k s ILE 9 Cb -0.14 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2e9k s ILE 9 CO 0.03 0.32 0.39 0.03 -1.23 0.00 0.00 174.94 174.49 2e9k h ARG 10 N 3.94 -0.28 0.00 2.79 2.47 -2.04 -3.27 114.38 117.99 2e9k h ARG 10 Ca -0.49 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2e9k h ARG 10 Cb 1.18 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2e9k h ARG 10 CO 0.65 -0.19 0.00 -0.35 0.56 0.00 0.00 179.97 180.64 2e9k n PRO 11 N -4.37 0.49 -0.35 0.04 -0.04 -1.26 -4.05 135.00 125.46 2e9k n PRO 11 Ca -0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.39 2e9k n PRO 11 Cb 0.11 -1.16 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2e9k n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2e9k h SER 12 N 0.00 -1.49 -0.34 3.54 0.87 -1.98 0.28 113.55 114.44 2e9k h SER 12 Ca 0.00 0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 2e9k h SER 12 Cb 0.00 0.75 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2e9k h SER 12 CO 0.00 -0.29 -0.05 0.50 -0.53 0.00 0.00 176.83 176.46 2e9k h LYS 13 N -0.04 0.63 -0.07 2.24 3.11 -1.86 -3.22 116.57 117.36 2e9k h LYS 13 Ca 0.30 -0.23 0.04 0.00 -2.81 0.00 0.00 60.65 57.95 2e9k h LYS 13 Cb 0.57 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.70 2e9k h LYS 13 CO -0.92 0.79 -0.39 1.25 -2.81 0.00 0.00 179.45 177.37 2e9k h LEU 14 N 0.42 -1.19 -0.79 5.20 5.85 -1.00 -2.52 115.31 121.28 2e9k h LEU 14 Ca 0.09 0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.06 2e9k h LEU 14 Cb 0.54 0.48 -0.12 0.00 0.37 0.00 0.00 40.66 41.94 2e9k h LEU 14 CO 0.03 -0.42 -0.51 0.25 -0.34 0.00 0.00 178.44 177.45 2e9k h LEU 15 N -0.50 -1.82 -0.07 2.25 5.85 -0.61 -2.21 115.31 118.20 2e9k h LEU 15 Ca 0.07 0.29 0.01 0.00 0.84 0.00 0.00 57.88 59.09 2e9k h LEU 15 Cb 0.61 0.82 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2e9k h LEU 15 CO -0.35 -0.30 -0.04 0.41 -0.34 0.00 0.00 178.44 177.82 2e9k n THR 16 N -5.35 -0.05 -0.36 1.05 -1.04 -0.96 -0.44 114.28 107.13 2e9k n THR 16 Ca 0.02 1.44 -0.09 0.00 -2.04 0.00 0.00 64.05 63.39 2e9k n THR 16 Cb 0.32 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.85 2e9k n THR 16 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2e9k n TRP 17 N -3.10 -0.36 0.09 -1.42 -0.00 -0.85 0.10 117.44 111.90 2e9k n TRP 17 Ca 0.00 1.09 -0.14 0.00 -0.00 0.00 0.00 57.50 58.45 2e9k n TRP 17 Cb 0.02 -0.59 -0.07 0.00 -0.00 0.00 0.00 31.31 30.67 2e9k n TRP 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2e9k h GLN 19 N -0.63 0.49 -0.00 0.00 4.20 0.17 0.16 115.11 119.50 2e9k h GLN 19 Ca 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2e9k h GLN 19 Cb 0.67 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2e9k h GLN 19 CO -0.27 0.33 -0.00 1.96 -0.67 0.00 0.00 178.83 180.17 2e9k h GLN 20 N 0.51 0.00 -0.30 1.46 1.08 0.11 0.20 115.11 118.16 2e9k h GLN 20 Ca 0.52 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.73 2e9k h GLN 20 Cb 1.15 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2e9k h GLN 20 CO -0.25 0.35 0.18 1.96 -0.95 0.00 0.00 178.83 180.11 2e9k h GLN 21 N -0.34 0.35 0.00 1.46 1.08 0.25 -2.07 115.11 115.84 2e9k h GLN 21 Ca 0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2e9k h GLN 21 Cb 0.35 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2e9k h GLN 21 CO 0.00 0.23 -0.27 1.79 -0.95 0.00 0.00 178.83 179.63 2e9k h THR 22 N 0.36 0.69 -1.78 -0.54 1.35 -1.03 -3.46 112.91 108.51 2e9k h THR 22 Ca 0.12 -1.21 -0.67 0.00 -0.55 0.00 0.00 66.41 64.10 2e9k h THR 22 Cb -0.01 1.78 0.08 0.00 -1.73 0.00 0.00 68.15 68.27 2e9k h THR 22 CO -0.05 0.27 0.22 1.21 -0.25 0.00 0.00 175.52 176.92 2e9k n GLU 23 N -3.48 0.99 0.00 4.72 4.07 0.69 -1.94 120.64 125.68 2e9k n GLU 23 Ca -0.00 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 2e9k n GLU 23 Cb 0.44 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9k n GLY 24 N 2.01 3.08 3.15 8.31 0.00 -1.26 -5.00 105.19 115.48 2e9k n GLY 24 Ca 0.16 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.43 -4.25 1.61 4.02 -0.82 -4.99 117.16 111.31 2e9k n TYR 25 Ca 0.00 0.38 -0.31 0.00 -0.01 0.00 0.00 57.90 57.96 2e9k n TYR 25 Cb 0.00 -1.48 -0.09 0.00 -0.02 0.00 0.00 39.34 37.75 2e9k n TYR 25 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2e9k s GLN 26 N -2.77 2.51 -1.60 -0.72 1.11 -1.26 -4.50 119.66 112.44 2e9k s GLN 26 Ca 0.47 -0.81 0.00 0.00 0.01 0.00 0.00 55.36 55.03 2e9k s GLN 26 Cb -0.02 -2.51 0.00 0.00 -1.01 0.00 0.00 33.01 29.47 2e9k s GLN 26 CO 0.66 0.56 0.00 0.72 0.01 0.00 0.00 175.29 177.25 2e9k n HIS 27 N 0.96 -0.75 -3.80 0.91 8.25 -1.26 -4.92 115.22 114.60 2e9k n HIS 27 Ca -0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.03 2e9k n HIS 27 Cb 0.52 -3.22 -0.14 0.00 1.12 0.00 0.00 29.99 28.27 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 -2.65 1.39 -0.41 1.59 1.01 -1.26 -5.07 120.40 115.00 2e9k s VAL 28 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.94 2e9k s VAL 28 Cb 0.00 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.46 2e9k s VAL 28 CO 0.00 -0.73 0.20 0.21 0.00 0.00 0.00 175.10 174.79 2e9k s ASN 29 N 1.03 5.28 -0.37 3.32 2.47 -1.26 -4.86 114.94 120.54 2e9k s ASN 29 Ca 0.13 -1.96 -0.20 0.00 0.42 0.00 0.00 52.86 51.24 2e9k s ASN 29 Cb -0.20 -1.84 0.01 0.00 -1.45 0.00 0.00 41.25 37.77 2e9k s ASN 29 CO -0.13 -0.54 0.61 -0.69 -3.72 0.00 0.00 177.10 172.63 2e9k s VAL 30 N 1.17 4.90 -0.00 -5.21 1.01 -1.26 -4.85 120.40 116.16 2e9k s VAL 30 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2e9k s VAL 30 Cb -0.23 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2e9k s VAL 30 CO -0.04 -0.36 0.00 0.35 0.00 0.00 0.00 175.10 175.05 2e9k n THR 31 N 5.62 0.00 -4.19 3.92 -2.24 -1.26 -4.88 114.28 111.25 2e9k n THR 31 Ca -0.02 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 2e9k n THR 31 Cb 0.48 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 2e9k n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2e9k n ASP 32 N -1.62 0.13 -1.07 3.42 9.92 -1.26 -5.07 116.55 121.00 2e9k n ASP 32 Ca -0.00 -2.17 -0.04 0.00 -0.53 0.00 0.00 54.79 52.05 2e9k n ASP 32 Cb 0.12 0.78 0.15 0.00 -0.64 0.00 0.00 41.12 41.53 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2e9k n LEU 33 N 0.00 3.48 0.00 0.64 4.77 -1.26 -4.44 117.00 120.19 2e9k n LEU 33 Ca 0.02 -4.17 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 2e9k n LEU 33 Cb 0.33 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2e9k n LEU 33 CO 0.17 1.62 0.00 0.35 -1.33 0.00 0.00 177.39 178.20 2e9k n THR 34 N -0.99 0.00 0.11 -5.08 -2.24 -1.26 -4.61 114.28 100.20 2e9k n THR 34 Ca 0.28 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.03 2e9k n THR 34 Cb 0.79 -0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.48 0.00 4.28 1.03 -1.88 -3.13 112.91 114.70 2e9k h THR 35 Ca 0.00 -2.66 0.00 0.00 -0.01 0.00 0.00 66.41 63.74 2e9k h THR 35 Cb 0.00 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 2e9k h THR 35 CO 0.00 0.74 0.18 -1.20 -0.01 0.00 0.00 175.52 175.24 2e9k n SER 36 N -3.54 0.42 -0.89 0.00 7.64 -1.26 -0.16 113.62 115.82 2e9k n SER 36 Ca -0.00 0.63 0.05 0.00 1.01 0.00 0.00 58.87 60.56 2e9k n SER 36 Cb 0.76 -0.63 0.14 0.00 -1.01 0.00 0.00 64.21 63.47 2e9k n SER 36 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2e9k n TRP 37 N -2.12 0.00 0.13 1.43 7.02 -1.18 -4.28 117.44 118.43 2e9k n TRP 37 Ca -0.01 -1.11 0.07 0.00 -1.02 0.00 0.00 57.50 55.43 2e9k n TRP 37 Cb 0.21 -0.21 0.03 0.00 -2.42 0.00 0.00 31.31 28.92 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 0.95 0.00 0.00 -0.99 0.11 -0.63 -3.33 114.38 110.49 2e9k h ARG 38 Ca -0.08 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.74 2e9k h ARG 38 Cb 1.32 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.35 2e9k h ARG 38 CO 0.03 0.20 -2.05 0.45 0.10 0.00 0.00 179.97 178.70 2e9k n SER 39 N -2.98 0.28 0.00 0.08 2.88 -1.26 -3.28 113.62 109.34 2e9k n SER 39 Ca -0.01 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2e9k n SER 39 Cb 0.66 0.85 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 2e9k n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9k n GLY 40 N 1.58 3.07 0.31 0.46 0.00 -1.25 -3.71 105.19 105.65 2e9k n GLY 40 Ca -0.22 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.29 -0.21 0.99 4.77 -1.26 -0.62 117.00 120.38 2e9k n LEU 41 Ca 0.00 1.49 -0.08 0.00 -0.03 0.00 0.00 56.01 57.39 2e9k n LEU 41 Cb 0.00 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 2e9k n LEU 41 CO 0.00 -1.44 0.49 0.00 -1.33 0.00 0.00 177.39 175.11 2e9k h ALA 42 N 1.74 -0.46 0.74 -1.18 0.00 -1.92 0.24 119.26 118.43 2e9k h ALA 42 Ca 0.43 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 2e9k h ALA 42 Cb 0.69 1.16 0.01 0.00 0.00 0.00 0.00 17.79 19.65 2e9k h ALA 42 CO -0.88 -0.70 -0.36 1.25 0.00 0.00 0.00 179.25 178.56 2e9k h LEU 43 N -0.09 -0.86 -1.00 0.00 5.85 -1.18 -2.66 115.31 115.37 2e9k h LEU 43 Ca 0.09 0.03 0.38 0.00 0.84 0.00 0.00 57.88 59.22 2e9k h LEU 43 Cb 0.32 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.40 2e9k h LEU 43 CO -0.55 -0.61 0.50 0.00 -0.34 0.00 0.00 178.44 177.44 2e9k h ALA 45 N 1.96 0.35 -0.29 0.00 0.00 -0.17 0.15 119.26 121.26 2e9k h ALA 45 Ca 0.79 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.72 2e9k h ALA 45 Cb 2.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2e9k h ALA 45 CO -0.74 -0.23 0.17 0.82 0.00 0.00 0.00 179.25 179.26 2e9k h ILE 46 N 0.32 1.03 0.04 0.00 2.04 0.39 -1.57 117.51 119.75 2e9k h ILE 46 Ca 0.11 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2e9k h ILE 46 Cb 0.02 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2e9k h ILE 46 CO -0.07 0.06 -0.02 0.40 0.00 0.00 0.00 178.15 178.53 2e9k h ILE 47 N 0.34 0.00 -0.98 -0.67 2.04 -1.13 -3.12 117.51 114.00 2e9k h ILE 47 Ca 0.11 -0.01 0.40 0.00 1.00 0.00 0.00 64.86 66.36 2e9k h ILE 47 Cb 0.00 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 35.91 2e9k h ILE 47 CO -0.06 0.00 0.48 1.57 0.00 0.00 0.00 178.15 180.15 2e9k n HIS 48 N -2.15 1.10 -0.26 1.37 -0.00 0.02 0.07 115.22 115.36 2e9k n HIS 48 Ca -0.01 1.15 -0.02 0.00 -0.00 0.00 0.00 57.72 58.85 2e9k n HIS 48 Cb 0.02 -1.53 0.04 0.00 -0.00 0.00 0.00 29.99 28.53 2e9k n HIS 48 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2e9k h ARG 49 N 0.00 -0.07 0.16 1.57 9.65 -1.21 0.21 114.38 124.69 2e9k h ARG 49 Ca 0.81 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 59.48 2e9k h ARG 49 Cb 2.11 0.02 0.02 0.00 -1.39 0.00 0.00 29.97 30.73 2e9k h ARG 49 CO -0.77 -0.05 -0.94 0.74 2.80 0.00 0.00 179.97 181.75 2e9k h PHE 50 N -0.08 0.62 -2.92 2.20 -1.00 -0.42 -3.42 116.94 111.92 2e9k h PHE 50 Ca 0.31 -0.45 -0.61 0.00 2.81 0.00 0.00 57.97 60.03 2e9k h PHE 50 Cb 0.57 -0.02 -0.40 0.00 3.61 0.00 0.00 35.95 39.71 2e9k h PHE 50 CO -0.68 1.36 -0.75 1.03 -1.61 0.00 0.00 178.31 177.66 2e9k s ARG 51 N -2.46 1.20 0.49 1.51 1.81 -0.45 -4.96 118.95 116.09 2e9k s ARG 51 Ca -0.13 -1.93 0.28 0.00 -1.72 0.00 0.00 55.73 52.23 2e9k s ARG 51 Cb 0.01 -2.19 1.18 0.00 -0.45 0.00 0.00 34.95 33.50 2e9k s ARG 51 CO 0.85 -1.17 1.93 -1.00 -0.68 0.00 0.00 175.30 175.22 2e9k h PRO 52 N 6.73 0.00 0.00 3.54 0.13 -0.85 -2.68 132.00 138.86 2e9k h PRO 52 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2e9k h PRO 52 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2e9k h PRO 52 CO 0.45 0.14 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 2e9k h GLU 53 N 0.00 0.00 0.00 0.86 9.09 -1.93 -3.09 114.58 119.51 2e9k h GLU 53 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.21 2e9k h GLU 53 Cb 0.59 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.66 2e9k h GLU 53 CO 0.02 0.00 -1.09 -0.07 0.05 0.00 0.00 179.01 177.92 2e9k h LEU 54 N 0.00 0.00 -8.41 3.06 3.38 -1.85 -3.47 115.31 108.02 2e9k h LEU 54 Ca 0.00 -0.52 -0.65 0.00 0.09 0.00 0.00 57.88 56.79 2e9k h LEU 54 Cb 0.30 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.74 2e9k h LEU 54 CO 0.00 1.40 -0.87 -0.63 0.09 0.00 0.00 178.44 178.43 2e9k s ILE 55 N -2.34 1.87 -0.65 1.22 1.01 -1.17 -5.07 121.20 116.07 2e9k s ILE 55 Ca -0.27 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.42 2e9k s ILE 55 Cb 0.05 -1.58 0.16 0.00 0.01 0.00 0.00 42.46 41.10 2e9k s ILE 55 CO 0.58 0.52 0.45 0.54 0.00 0.00 0.00 174.94 177.03 2e9k s ASN 56 N -0.13 5.03 0.38 3.58 6.03 -1.26 -4.61 114.94 123.97 2e9k s ASN 56 Ca -0.03 -3.17 0.19 0.00 -1.03 0.00 0.00 52.86 48.82 2e9k s ASN 56 Cb -0.13 -1.78 1.13 0.00 -3.03 0.00 0.00 41.25 37.45 2e9k s ASN 56 CO 0.03 -0.26 1.72 0.15 -2.03 0.00 0.00 177.10 176.70 2e9k h PHE 57 N 6.50 0.73 -0.94 1.54 3.04 -1.92 0.20 116.94 126.10 2e9k h PHE 57 Ca 0.01 0.03 0.26 0.00 3.98 0.00 0.00 57.97 62.25 2e9k h PHE 57 Cb 0.89 -0.20 -0.14 0.00 2.56 0.00 0.00 35.95 39.06 2e9k h PHE 57 CO 0.66 -0.03 0.44 -0.44 -2.02 0.00 0.00 178.31 176.91 2e9k h ASP 58 N 0.35 0.35 1.04 0.41 3.32 -2.01 0.42 116.42 120.30 2e9k h ASP 58 Ca 0.67 0.18 -0.19 0.00 0.02 0.00 0.00 57.03 57.70 2e9k h ASP 58 Cb 1.71 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 41.38 2e9k h ASP 58 CO -0.40 -0.07 -0.98 -1.28 -1.72 0.00 0.00 179.24 174.78 2e9k h SER 59 N 0.35 0.00 -1.89 6.45 0.87 -1.04 -3.43 113.55 114.86 2e9k h SER 59 Ca 0.63 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.69 2e9k h SER 59 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2e9k h SER 59 CO -0.58 0.86 1.48 -0.76 -0.53 0.00 0.00 176.83 177.30 2e9k s LEU 60 N -6.53 3.38 -0.17 2.23 1.43 0.15 -4.95 118.68 114.21 2e9k s LEU 60 Ca 0.01 0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2e9k s LEU 60 Cb 0.09 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2e9k s LEU 60 CO 0.80 -2.50 0.20 0.21 0.23 0.00 0.00 176.35 175.29 2e9k s ASN 61 N 9.73 6.33 0.18 2.29 2.47 -1.26 -4.94 114.94 129.74 2e9k s ASN 61 Ca 0.85 0.38 -0.12 0.00 0.42 0.00 0.00 52.86 54.38 2e9k s ASN 61 Cb -0.17 -2.12 0.20 0.00 -1.45 0.00 0.00 41.25 37.71 2e9k s ASN 61 CO 0.26 0.18 1.17 -1.84 -3.72 0.00 0.00 177.10 173.15 2e9k n GLU 62 N 3.30 -0.16 -0.31 0.43 -0.00 -1.26 0.23 120.64 122.87 2e9k n GLU 62 Ca -0.15 1.16 0.08 0.00 -0.00 0.00 0.00 57.16 58.25 2e9k n GLU 62 Cb 0.52 -1.72 0.25 0.00 -0.00 0.00 0.00 31.44 30.49 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2e9k h ASP 63 N 0.00 0.57 0.00 -1.84 3.58 -2.00 -2.04 116.42 114.69 2e9k h ASP 63 Ca 0.27 0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.64 2e9k h ASP 63 Cb 0.46 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 2e9k h ASP 63 CO -0.75 0.23 -0.34 0.47 -2.88 0.00 0.00 179.24 175.97 2e9k n ASP 64 N -4.86 5.00 0.37 2.28 8.00 0.62 -4.54 116.55 123.43 2e9k n ASP 64 Ca 0.18 -2.43 -0.18 0.00 0.71 0.00 0.00 54.79 53.08 2e9k n ASP 64 Cb 0.47 -1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.13 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9k h ALA 65 N 3.09 -0.93 -0.72 2.24 0.00 -1.44 0.70 119.26 122.20 2e9k h ALA 65 Ca 0.18 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2e9k h ALA 65 Cb 1.44 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 2e9k h ALA 65 CO 0.24 -0.99 -0.36 0.28 0.00 0.00 0.00 179.25 178.41 2e9k h VAL 66 N -0.99 0.11 -0.41 0.00 2.07 -1.80 0.12 116.25 115.36 2e9k h VAL 66 Ca -0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2e9k h VAL 66 Cb 0.73 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2e9k h VAL 66 CO 0.16 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 177.57 2e9k h GLU 67 N -0.11 0.61 -0.53 1.57 4.39 -1.90 -1.08 114.58 117.52 2e9k h GLU 67 Ca 0.26 -0.12 0.15 0.00 0.34 0.00 0.00 59.36 60.00 2e9k h GLU 67 Cb 0.56 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2e9k h GLU 67 CO -0.78 0.58 0.38 -0.91 -1.16 0.00 0.00 179.01 177.12 2e9k h ASN 68 N 0.51 0.04 0.00 1.42 2.35 0.13 -0.85 115.58 119.18 2e9k h ASN 68 Ca 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2e9k h ASN 68 Cb 0.20 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2e9k h ASN 68 CO -0.01 0.02 -0.11 0.78 -1.65 0.00 0.00 177.43 176.46 2e9k h ASN 69 N 0.04 0.00 -0.93 5.81 2.35 -0.34 -3.29 115.58 119.22 2e9k h ASN 69 Ca 0.25 -0.11 0.26 0.00 -0.55 0.00 0.00 56.30 56.15 2e9k h ASN 69 Cb 0.96 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.19 2e9k h ASN 69 CO -0.01 0.61 0.38 -0.61 -1.65 0.00 0.00 177.43 176.15 2e9k h GLN 70 N -1.00 0.29 0.27 0.81 5.75 -0.96 -1.04 115.11 119.23 2e9k h GLN 70 Ca -0.01 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2e9k h GLN 70 Cb 0.21 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 2e9k h GLN 70 CO -0.00 0.19 -0.40 1.25 -2.65 0.00 0.00 178.83 177.22 2e9k h LEU 71 N 0.30 -1.14 -0.38 -2.39 5.85 -1.30 0.84 115.31 117.09 2e9k h LEU 71 Ca 0.61 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.51 2e9k h LEU 71 Cb 1.27 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 42.62 2e9k h LEU 71 CO -0.61 -0.48 -0.10 0.00 -0.34 0.00 0.00 178.44 176.92 2e9k h ALA 72 N -0.97 0.25 0.20 1.25 0.00 -1.35 0.29 119.26 118.93 2e9k h ALA 72 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2e9k h ALA 72 Cb 0.64 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2e9k h ALA 72 CO -0.12 -0.46 -0.47 0.74 0.00 0.00 0.00 179.25 178.94 2e9k h PHE 73 N -0.00 -1.36 -0.01 0.00 0.04 -0.97 0.86 116.94 115.51 2e9k h PHE 73 Ca 0.18 0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.02 2e9k h PHE 73 Cb 0.28 0.57 -0.05 0.00 2.20 0.00 0.00 35.95 38.94 2e9k h PHE 73 CO -0.34 -0.56 -0.35 0.22 -0.60 0.00 0.00 178.31 176.68 2e9k h ASP 74 N -0.74 -1.06 -0.80 2.17 3.58 -0.54 0.55 116.42 119.58 2e9k h ASP 74 Ca -0.02 0.14 0.18 0.00 0.42 0.00 0.00 57.03 57.75 2e9k h ASP 74 Cb 0.71 0.42 -0.12 0.00 1.72 0.00 0.00 39.33 42.07 2e9k h ASP 74 CO -0.21 -0.41 0.26 0.58 -2.88 0.00 0.00 179.24 176.58 2e9k h VAL 75 N -0.50 0.50 0.00 2.25 2.07 -0.72 0.64 116.25 120.49 2e9k h VAL 75 Ca 0.06 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2e9k h VAL 75 Cb 0.59 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2e9k h VAL 75 CO -0.29 0.06 -0.31 0.00 0.02 0.00 0.00 177.57 177.04 2e9k h ALA 76 N 1.65 1.17 0.00 1.67 0.00 0.08 1.00 119.26 124.83 2e9k h ALA 76 Ca 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2e9k h ALA 76 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2e9k h ALA 76 CO -0.52 0.39 -0.55 1.49 0.00 0.00 0.00 179.25 180.07 2e9k h GLU 77 N 0.00 0.00 0.01 0.00 4.81 0.22 1.22 114.58 120.85 2e9k h GLU 77 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2e9k h GLU 77 Cb 0.70 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 2e9k h GLU 77 CO 0.04 0.00 -2.25 0.54 -0.73 0.00 0.00 179.01 176.62 2e9k n ARG 78 N -2.15 0.68 -0.11 1.92 1.74 0.17 -3.39 116.66 115.51 2e9k n ARG 78 Ca 0.03 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 57.05 2e9k n ARG 78 Cb 0.44 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2e9k n GLU 79 N -3.01 0.55 0.10 5.56 -0.58 0.30 -4.60 120.64 118.96 2e9k n GLU 79 Ca -0.33 0.29 0.04 0.00 -0.42 0.00 0.00 57.16 56.73 2e9k n GLU 79 Cb 1.08 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.44 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 -1.00 0.00 -0.08 -0.32 0.04 -1.37 -3.48 116.94 110.73 2e9k h PHE 80 Ca -0.30 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.43 2e9k h PHE 80 Cb 1.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 2e9k h PHE 80 CO -0.24 0.40 -0.03 0.41 -0.60 0.00 0.00 178.31 178.25 2e9k n GLY 81 N 1.28 0.53 3.57 -1.45 0.00 0.41 -4.92 105.19 104.60 2e9k n GLY 81 Ca -0.03 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.02 4.67 0.22 -0.61 1.01 -0.19 -4.81 121.20 119.47 2e9k s ILE 82 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 2e9k s ILE 82 Cb 0.00 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 2e9k s ILE 82 CO 0.00 -0.58 1.28 -2.16 0.00 0.00 0.00 174.94 173.48 2e9k s PRO 83 N 3.24 4.41 0.20 2.79 0.04 -1.26 -3.52 135.00 140.91 2e9k s PRO 83 Ca 0.31 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 2e9k s PRO 83 Cb -0.12 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 2e9k s PRO 83 CO 0.20 -0.20 1.30 -1.25 0.04 0.00 0.00 177.00 177.10 2e9k s PRO 84 N -0.45 4.39 0.19 0.56 0.04 -1.26 -4.94 135.00 133.53 2e9k s PRO 84 Ca 0.54 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.67 2e9k s PRO 84 Cb -0.36 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.06 2e9k s PRO 84 CO 0.40 -0.24 1.44 -0.39 0.04 0.00 0.00 177.00 178.25 2e9k h VAL 85 N 3.73 1.47 -2.92 -0.36 -1.51 -1.95 -3.46 116.25 111.25 2e9k h VAL 85 Ca -0.45 -2.44 -0.44 0.00 -1.23 0.00 0.00 66.70 62.15 2e9k h VAL 85 Cb 1.21 2.33 -0.14 0.00 -2.13 0.00 0.00 31.29 32.56 2e9k h VAL 85 CO 0.77 0.71 -0.71 0.28 -1.23 0.00 0.00 177.57 177.39 2e9k s THR 86 N -3.37 1.59 -0.03 7.19 -1.32 -1.26 -5.14 115.64 113.30 2e9k s THR 86 Ca -0.03 -2.16 -0.16 0.00 -1.21 0.00 0.00 61.69 58.13 2e9k s THR 86 Cb 0.11 -2.14 -0.05 0.00 -1.51 0.00 0.00 72.50 68.90 2e9k s THR 86 CO 0.82 -0.52 0.44 0.42 -2.21 0.00 0.00 174.62 173.57 2e9k s THR 87 N -3.06 5.05 0.23 5.08 -4.23 -1.26 -4.91 115.64 112.54 2e9k s THR 87 Ca 0.24 0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 61.59 2e9k s THR 87 Cb 0.01 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.46 2e9k s THR 87 CO 0.07 0.49 1.28 0.61 -0.54 0.00 0.00 174.62 176.53 2e9k n GLY 88 N 2.32 -1.39 0.21 3.99 0.00 -1.26 0.47 105.19 109.54 2e9k n GLY 88 Ca -0.11 0.88 -0.11 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 -0.27 -0.89 1.61 1.57 -1.94 -1.92 116.57 114.73 2e9k h LYS 89 Ca 0.39 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2e9k h LYS 89 Cb 0.59 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2e9k h LYS 89 CO -0.84 -0.18 0.56 1.49 -0.57 0.00 0.00 179.45 179.91 2e9k h GLU 90 N -0.28 1.20 -0.61 3.15 4.57 -0.37 0.29 114.58 122.53 2e9k h GLU 90 Ca 0.06 -0.10 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 2e9k h GLU 90 Cb 0.35 -0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 2e9k h GLU 90 CO -0.16 0.82 0.23 1.98 -1.18 0.00 0.00 179.01 180.70 2e9k h MET 91 N 1.22 0.41 0.16 1.92 4.05 -0.02 0.27 114.93 122.94 2e9k h MET 91 Ca 0.32 -0.02 -0.30 0.00 -0.28 0.00 0.00 59.70 59.42 2e9k h MET 91 Cb -0.08 -0.09 0.02 0.00 -0.80 0.00 0.00 31.60 30.65 2e9k h MET 91 CO -0.06 0.27 -1.30 0.00 0.23 0.00 0.00 176.91 176.05 2e9k h ALA 92 N 1.41 0.00 0.87 0.39 0.00 -0.95 -3.36 119.26 117.63 2e9k h ALA 92 Ca 0.31 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2e9k h ALA 92 Cb 0.37 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2e9k h ALA 92 CO -0.30 0.77 -0.42 0.77 0.00 0.00 0.00 179.25 180.07 2e9k h SER 93 N 0.18 -0.99 -2.22 0.00 0.02 0.09 -3.42 113.55 107.21 2e9k h SER 93 Ca -0.19 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 60.21 2e9k h SER 93 Cb 1.98 0.26 0.04 0.00 0.14 0.00 0.00 62.40 64.82 2e9k h SER 93 CO 0.24 -0.70 0.92 0.00 -1.14 0.00 0.00 176.83 176.14 2e9k n ALA 94 N -2.61 1.30 0.01 3.77 0.00 0.92 -4.91 120.51 118.99 2e9k n ALA 94 Ca -0.15 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 2e9k n ALA 94 Cb 0.47 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 2e9k n ALA 94 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2e9k h GLN 95 N 7.13 -0.11 -3.60 0.00 4.15 -1.88 -3.42 115.11 117.38 2e9k h GLN 95 Ca -0.46 0.01 -0.61 0.00 0.77 0.00 0.00 58.65 58.36 2e9k h GLN 95 Cb 1.26 0.03 -0.40 0.00 0.21 0.00 0.00 27.48 28.57 2e9k h GLN 95 CO 0.91 0.43 -0.74 -2.00 -1.93 0.00 0.00 178.83 175.50 2e9k s GLU 96 N -3.23 1.09 1.03 1.69 2.12 -1.26 -4.78 118.70 115.37 2e9k s GLU 96 Ca -0.14 -1.58 -0.17 0.00 0.36 0.00 0.00 54.97 53.43 2e9k s GLU 96 Cb -0.00 -2.40 0.26 0.00 0.26 0.00 0.00 34.13 32.25 2e9k s GLU 96 CO 0.53 -1.04 0.92 -0.35 -0.54 0.00 0.00 175.26 174.79 2e9k n PRO 97 N 4.26 -2.81 -2.86 4.30 -0.04 -1.26 -4.96 135.00 131.62 2e9k n PRO 97 Ca 0.03 -1.47 -0.43 0.00 -0.04 0.00 0.00 63.50 61.59 2e9k n PRO 97 Cb 0.39 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2e9k n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e9k s ASP 98 N -3.98 6.38 0.53 3.54 1.11 -1.26 -4.90 116.67 118.09 2e9k s ASP 98 Ca 0.60 -0.24 0.40 0.00 0.18 0.00 0.00 52.55 53.49 2e9k s ASP 98 Cb -0.06 -2.43 1.58 0.00 1.07 0.00 0.00 42.92 43.09 2e9k s ASP 98 CO 0.46 -1.13 1.70 0.50 1.18 0.00 0.00 175.17 177.88 2e9k h LYS 99 N 9.20 0.03 0.20 8.23 3.64 -1.93 -1.29 116.57 134.66 2e9k h LYS 99 Ca -0.26 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2e9k h LYS 99 Cb 1.08 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2e9k h LYS 99 CO 1.05 0.02 -0.10 -0.07 -2.27 0.00 0.00 179.45 178.08 2e9k h LEU 100 N 0.03 -0.23 -1.89 5.20 -0.00 -1.92 -1.05 115.31 115.45 2e9k h LEU 100 Ca 0.73 0.01 0.35 0.00 -0.00 0.00 0.00 57.88 58.97 2e9k h LEU 100 Cb 2.81 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 43.48 2e9k h LEU 100 CO -0.07 -0.12 0.94 0.28 -0.00 0.00 0.00 178.44 179.47 2e9k h SER 101 N -0.38 0.00 0.13 -0.43 0.02 -1.68 0.78 113.55 111.99 2e9k h SER 101 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2e9k h SER 101 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2e9k h SER 101 CO 0.05 0.00 -0.06 0.24 -1.14 0.00 0.00 176.83 175.91 2e9k h MET 102 N 0.00 -0.17 -0.17 3.45 2.86 -1.29 -3.07 114.93 116.55 2e9k h MET 102 Ca 0.57 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.28 2e9k h MET 102 Cb 2.45 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 34.09 2e9k h MET 102 CO -0.01 0.28 -0.19 0.28 1.06 0.00 0.00 176.91 178.33 2e9k h VAL 103 N -0.89 0.50 -0.96 -2.22 2.07 0.48 0.22 116.25 115.45 2e9k h VAL 103 Ca -0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.71 2e9k h VAL 103 Cb 0.53 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 2e9k h VAL 103 CO 0.03 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.24 2e9k h MET 104 N -0.22 0.51 0.20 1.57 -0.00 -1.38 0.22 114.93 115.83 2e9k h MET 104 Ca 0.11 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.77 2e9k h MET 104 Cb 0.39 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 2e9k h MET 104 CO -0.30 0.34 -0.10 -0.92 -0.00 0.00 0.00 176.91 175.93 2e9k h TYR 105 N 0.52 -0.25 -0.88 -0.10 3.20 -1.05 -3.33 116.97 115.08 2e9k h TYR 105 Ca 0.52 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.58 2e9k h TYR 105 Cb 1.13 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 39.37 2e9k h TYR 105 CO -0.00 -0.07 0.42 -0.07 -1.64 0.00 0.00 178.16 176.80 2e9k h LEU 106 N -1.05 0.43 -0.85 2.82 3.38 -0.24 -0.96 115.31 118.85 2e9k h LEU 106 Ca -0.03 0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2e9k h LEU 106 Cb 0.29 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.96 2e9k h LEU 106 CO 0.04 0.10 -0.14 0.28 0.09 0.00 0.00 178.44 178.81 2e9k h SER 107 N 0.50 -0.66 -0.95 -0.43 0.02 -0.67 0.57 113.55 111.94 2e9k h SER 107 Ca 0.52 0.25 0.23 0.00 -0.84 0.00 0.00 61.79 61.95 2e9k h SER 107 Cb 0.90 0.48 -0.12 0.00 0.14 0.00 0.00 62.40 63.80 2e9k h SER 107 CO -0.46 -0.27 0.50 0.11 -1.14 0.00 0.00 176.83 175.58 2e9k h LYS 108 N 0.02 0.50 0.00 3.45 1.57 -1.28 0.62 116.57 121.45 2e9k h LYS 108 Ca 0.43 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 59.08 2e9k h LYS 108 Cb 0.71 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2e9k h LYS 108 CO -0.84 0.33 -0.50 0.74 -0.57 0.00 0.00 179.45 178.61 2e9k h PHE 109 N 0.51 0.00 0.02 -1.35 0.04 0.03 -0.68 116.94 115.51 2e9k h PHE 109 Ca 0.59 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.36 2e9k h PHE 109 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 2e9k h PHE 109 CO -0.07 0.50 -0.01 -0.92 -0.60 0.00 0.00 178.31 177.21 2e9k h TYR 110 N 0.00 -0.02 -0.26 -0.55 5.03 0.11 -2.57 116.97 118.71 2e9k h TYR 110 Ca -0.00 -0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.14 2e9k h TYR 110 Cb 1.05 0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2e9k h TYR 110 CO 0.00 0.54 -0.48 1.05 -1.32 0.00 0.00 178.16 177.95 2e9k h GLU 111 N -0.61 0.78 -0.81 1.82 4.11 -1.04 0.29 114.58 119.13 2e9k h GLU 111 Ca -0.00 -0.50 0.07 0.00 0.07 0.00 0.00 59.36 59.00 2e9k h GLU 111 Cb 0.58 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2e9k h GLU 111 CO 0.00 1.13 0.53 1.25 0.07 0.00 0.00 179.01 181.99 2e9k h LEU 112 N 0.53 0.76 0.02 3.06 5.85 -1.21 -3.04 115.31 121.28 2e9k h LEU 112 Ca 0.01 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 2e9k h LEU 112 Cb 1.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2e9k h LEU 112 CO 0.11 0.48 -0.97 -0.26 -0.34 0.00 0.00 178.44 177.46 2e9k h PHE 113 N 0.86 0.07 -2.08 1.25 -1.00 -1.40 -3.44 116.94 111.21 2e9k h PHE 113 Ca 0.35 -0.05 -0.51 0.00 2.81 0.00 0.00 57.97 60.57 2e9k h PHE 113 Cb 0.27 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 2e9k h PHE 113 CO -0.00 1.38 1.38 0.50 -1.61 0.00 0.00 178.31 179.96 2e9k s ARG 114 N -2.35 2.71 0.00 1.51 3.52 0.10 -4.86 118.95 119.58 2e9k s ARG 114 Ca -0.25 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 2e9k s ARG 114 Cb 0.03 -4.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 2e9k s ARG 114 CO 0.65 -2.62 0.00 0.41 -0.81 0.00 0.00 175.30 172.93 2e9k n GLY 115 N 5.68 1.33 3.77 8.12 0.00 -1.26 -4.72 105.19 118.11 2e9k n GLY 115 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2e9k n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e9k s THR 116 N 2.76 2.79 0.34 2.61 -4.23 -1.26 -4.98 115.64 113.67 2e9k s THR 116 Ca 0.00 0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 60.89 2e9k s THR 116 Cb 0.00 -3.37 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 2e9k s THR 116 CO 0.00 0.06 1.21 -2.16 -0.54 0.00 0.00 174.62 173.19 2e9k s PRO 117 N -2.41 4.32 -0.12 3.99 0.04 -1.26 -5.05 135.00 134.51 2e9k s PRO 117 Ca 0.60 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.57 2e9k s PRO 117 Cb -0.35 -2.97 0.05 0.00 0.04 0.00 0.00 34.50 31.27 2e9k s PRO 117 CO 0.43 -0.14 0.28 -0.48 0.04 0.00 0.00 177.00 177.13 2e9k s LEU 118 N -1.95 0.39 0.44 -3.56 2.34 -1.26 -5.14 118.68 109.94 2e9k s LEU 118 Ca 0.51 0.59 -0.19 0.00 0.06 0.00 0.00 54.13 55.10 2e9k s LEU 118 Cb -0.35 0.87 -0.15 0.00 -0.56 0.00 0.00 46.19 46.00 2e9k s LEU 118 CO 0.45 -0.16 -0.01 -2.11 -1.06 0.00 0.00 176.35 173.46 2e9k n ARG 119 N 4.06 0.00 -2.18 1.48 0.00 -1.26 -4.81 116.66 113.95 2e9k n ARG 119 Ca -0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.19 2e9k n ARG 119 Cb 0.54 -0.98 -0.03 0.00 -0.00 0.00 0.00 32.46 32.00 2e9k n ARG 119 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2e9k s PRO 120 N -0.98 4.29 0.00 2.89 0.04 -1.26 -5.31 135.00 134.67 2e9k s PRO 120 Ca 0.57 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2e9k s PRO 120 Cb -0.56 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2e9k s PRO 120 CO 0.63 -0.55 0.20 1.33 0.04 0.00 0.00 177.00 178.65