#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k h SER 2 N 0.00 -0.78 -1.70 1.61 0.02 -2.06 -3.44 113.55 107.20 2e9k h SER 2 Ca 0.00 0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 60.30 2e9k h SER 2 Cb 0.00 0.20 0.07 0.00 0.14 0.00 0.00 62.40 62.81 2e9k h SER 2 CO 0.00 -0.44 0.31 -1.20 -1.14 0.00 0.00 176.83 174.36 2e9k n SER 3 N -5.15 1.28 0.00 3.07 7.64 -1.26 -4.92 113.62 114.29 2e9k n SER 3 Ca -0.11 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2e9k n SER 3 Cb 0.37 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2e9k n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9k n GLY 4 N 2.20 3.01 2.03 0.23 0.00 -1.26 -5.01 105.19 106.39 2e9k n GLY 4 Ca 0.17 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 5.84 -1.80 1.61 2.88 -1.26 -4.64 113.62 116.24 2e9k n SER 5 Ca 0.00 -2.78 -0.09 0.00 -1.33 0.00 0.00 58.87 54.67 2e9k n SER 5 Cb 0.00 -1.25 -0.04 0.00 -0.75 0.00 0.00 64.21 62.18 2e9k n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e9k n SER 6 N 1.46 5.69 -3.37 -3.46 2.88 -1.26 -4.79 113.62 110.77 2e9k n SER 6 Ca 0.34 -2.65 -0.10 0.00 -1.33 0.00 0.00 58.87 55.13 2e9k n SER 6 Cb 0.67 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2e9k n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9k n GLY 7 N 1.42 -1.27 3.61 0.46 0.00 -1.26 -4.81 105.19 103.33 2e9k n GLY 7 Ca 0.22 0.53 -0.43 0.00 0.00 0.00 0.00 46.02 46.34 2e9k n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e9k s ASP 8 N -3.00 5.77 -0.06 1.61 1.11 -1.26 -4.95 116.67 115.89 2e9k s ASP 8 Ca 0.00 1.74 -0.23 0.00 0.18 0.00 0.00 52.55 54.24 2e9k s ASP 8 Cb -0.00 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 2e9k s ASP 8 CO 0.81 -1.73 0.69 -0.63 1.18 0.00 0.00 175.17 175.49 2e9k s ILE 9 N 7.22 5.03 -0.02 0.77 1.01 -1.26 -4.99 121.20 128.96 2e9k s ILE 9 Ca 0.90 1.42 -0.21 0.00 0.00 0.00 0.00 60.65 62.76 2e9k s ILE 9 Cb -0.30 -4.03 -0.14 0.00 0.01 0.00 0.00 42.46 38.01 2e9k s ILE 9 CO 0.35 0.27 0.93 0.03 0.00 0.00 0.00 174.94 176.52 2e9k h ARG 10 N 6.63 -0.47 0.00 2.79 3.08 -2.03 -3.10 114.38 121.28 2e9k h ARG 10 Ca -0.41 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2e9k h ARG 10 Cb 1.20 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2e9k h ARG 10 CO 0.75 -0.17 0.00 -0.35 -1.07 0.00 0.00 179.97 179.13 2e9k n PRO 11 N -5.12 0.49 -0.11 0.04 -0.04 -1.26 -2.85 135.00 126.14 2e9k n PRO 11 Ca -0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.13 2e9k n PRO 11 Cb 0.27 -1.01 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.51 1.97 0.08 3.54 2.88 -1.17 -3.99 113.62 116.41 2e9k n SER 12 Ca 0.00 0.22 0.04 0.00 -1.33 0.00 0.00 58.87 57.80 2e9k n SER 12 Cb 0.00 -0.75 0.46 0.00 -0.75 0.00 0.00 64.21 63.18 2e9k n SER 12 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2e9k h LYS 13 N -0.60 0.36 0.08 -1.46 1.57 -1.55 -2.09 116.57 112.88 2e9k h LYS 13 Ca -0.57 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2e9k h LYS 13 Cb 1.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2e9k h LYS 13 CO -0.23 0.29 -0.04 1.25 -0.57 0.00 0.00 179.45 180.14 2e9k h LEU 14 N 0.37 -0.10 -0.98 2.94 5.85 -1.76 -2.66 115.31 118.97 2e9k h LEU 14 Ca 0.10 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2e9k h LEU 14 Cb 0.04 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2e9k h LEU 14 CO -0.01 0.19 0.64 0.25 -0.34 0.00 0.00 178.44 179.16 2e9k h LEU 15 N -0.39 1.05 0.61 2.25 5.85 -1.62 -2.54 115.31 120.53 2e9k h LEU 15 Ca -0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2e9k h LEU 15 Cb 0.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2e9k h LEU 15 CO 0.02 0.71 -0.50 0.74 -0.34 0.00 0.00 178.44 179.07 2e9k h THR 16 N 1.22 0.02 -0.59 1.05 2.02 -1.30 0.20 112.91 115.53 2e9k h THR 16 Ca 0.40 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.70 2e9k h THR 16 Cb 0.04 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 66.36 2e9k h THR 16 CO -0.14 0.00 -0.07 -0.25 0.37 0.00 0.00 175.52 175.43 2e9k h TRP 17 N -1.08 -0.17 0.12 3.16 7.01 -1.31 -0.84 115.95 122.84 2e9k h TRP 17 Ca -0.08 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 2e9k h TRP 17 Cb 0.91 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 2e9k h TRP 17 CO -0.20 -0.21 -0.06 0.00 -2.79 0.00 0.00 178.44 175.18 2e9k h GLN 19 N -0.17 0.50 -0.04 0.00 4.20 0.43 0.15 115.11 120.18 2e9k h GLN 19 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2e9k h GLN 19 Cb 0.13 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2e9k h GLN 19 CO 0.03 0.33 -0.01 1.96 -0.67 0.00 0.00 178.83 180.47 2e9k h GLN 20 N 0.52 0.08 -0.60 1.46 4.20 -0.67 0.34 115.11 120.44 2e9k h GLN 20 Ca 0.51 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.17 2e9k h GLN 20 Cb 1.12 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 2e9k h GLN 20 CO -0.25 0.42 0.28 1.96 -0.67 0.00 0.00 178.83 180.57 2e9k h GLN 21 N -0.26 0.87 0.00 1.46 1.08 -0.58 -2.57 115.11 115.10 2e9k h GLN 21 Ca 0.01 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 56.97 2e9k h GLN 21 Cb 0.39 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2e9k h GLN 21 CO 0.00 0.71 -0.52 1.79 -0.95 0.00 0.00 178.83 179.86 2e9k h THR 22 N 0.82 1.13 -2.00 -0.54 1.35 -0.76 -3.45 112.91 109.45 2e9k h THR 22 Ca 0.20 -1.96 -0.64 0.00 -0.55 0.00 0.00 66.41 63.46 2e9k h THR 22 Cb 0.14 2.14 0.09 0.00 -1.73 0.00 0.00 68.15 68.78 2e9k h THR 22 CO -0.02 0.51 0.20 1.21 -0.25 0.00 0.00 175.52 177.17 2e9k n GLU 23 N -3.56 1.14 0.00 4.72 2.13 0.12 -2.00 120.64 123.19 2e9k n GLU 23 Ca -0.00 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2e9k n GLU 23 Cb 0.61 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.47 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e9k n GLY 24 N 1.84 3.10 3.39 8.31 0.00 -1.26 -4.99 105.19 115.57 2e9k n GLY 24 Ca 0.14 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.24 -4.16 1.61 4.01 -0.84 -5.01 117.16 111.52 2e9k n TYR 25 Ca 0.00 0.05 -0.32 0.00 -0.16 0.00 0.00 57.90 57.47 2e9k n TYR 25 Cb 0.00 -1.66 -0.08 0.00 -0.31 0.00 0.00 39.34 37.29 2e9k n TYR 25 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2e9k s GLN 26 N -3.90 2.87 -1.34 -0.72 0.00 -1.26 -4.47 119.66 110.84 2e9k s GLN 26 Ca 0.62 -0.61 -0.03 0.00 -0.00 0.00 0.00 55.36 55.33 2e9k s GLN 26 Cb -0.19 -2.73 0.02 0.00 0.00 0.00 0.00 33.01 30.11 2e9k s GLN 26 CO 0.65 0.61 0.26 0.72 0.00 0.00 0.00 175.29 177.53 2e9k n HIS 27 N 1.05 -1.57 -3.90 9.60 8.25 -1.26 -4.94 115.22 122.45 2e9k n HIS 27 Ca -0.12 0.23 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 2e9k n HIS 27 Cb 0.52 -3.39 -0.15 0.00 1.12 0.00 0.00 29.99 28.09 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 -2.89 1.62 -0.35 1.59 1.01 -1.26 -5.08 120.40 115.04 2e9k s VAL 28 Ca 0.17 -1.74 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 2e9k s VAL 28 Cb -0.08 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.26 2e9k s VAL 28 CO 0.21 -0.49 0.08 0.21 0.00 0.00 0.00 175.10 175.10 2e9k s ASN 29 N 1.27 5.00 -0.54 3.32 2.47 -1.26 -4.92 114.94 120.27 2e9k s ASN 29 Ca 0.06 -1.70 -0.20 0.00 0.42 0.00 0.00 52.86 51.44 2e9k s ASN 29 Cb -0.18 -1.74 0.07 0.00 -1.45 0.00 0.00 41.25 37.95 2e9k s ASN 29 CO -0.13 -0.39 0.69 -0.69 -3.72 0.00 0.00 177.10 172.86 2e9k s VAL 30 N 1.15 4.79 -0.03 -5.21 1.01 -1.26 -4.80 120.40 116.05 2e9k s VAL 30 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2e9k s VAL 30 Cb -0.21 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2e9k s VAL 30 CO -0.03 -0.97 0.01 0.35 0.00 0.00 0.00 175.10 174.46 2e9k n THR 31 N 5.65 0.19 -4.28 3.92 -2.24 -1.26 -4.92 114.28 111.36 2e9k n THR 31 Ca -0.07 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2e9k n THR 31 Cb 0.45 -0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.09 0.94 -0.52 3.42 2.03 -1.26 -5.07 116.55 114.00 2e9k n ASP 32 Ca -0.05 -2.26 0.07 0.00 0.52 0.00 0.00 54.79 53.07 2e9k n ASP 32 Cb 0.57 0.64 0.15 0.00 -0.72 0.00 0.00 41.12 41.76 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 2.18 0.00 -2.67 4.77 -1.26 -4.36 117.00 115.66 2e9k n LEU 33 Ca -0.03 -3.19 0.00 0.00 -0.03 0.00 0.00 56.01 52.77 2e9k n LEU 33 Cb 0.36 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2e9k n LEU 33 CO 0.19 0.98 -0.24 0.35 -1.33 0.00 0.00 177.39 177.34 2e9k n THR 34 N -0.95 0.00 -0.14 -5.08 -2.24 -1.26 -4.79 114.28 99.83 2e9k n THR 34 Ca 0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 2e9k n THR 34 Cb 0.73 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 2e9k n THR 34 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2e9k n THR 35 N -1.83 1.53 0.22 4.28 -2.24 -1.26 -3.91 114.28 111.07 2e9k n THR 35 Ca 0.00 -0.39 0.17 0.00 -2.27 0.00 0.00 64.05 61.57 2e9k n THR 35 Cb 0.24 -1.84 0.76 0.00 -2.10 0.00 0.00 70.33 67.39 2e9k n THR 35 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2e9k h SER 36 N -0.89 0.00 -0.22 3.42 0.02 -1.87 0.44 113.55 114.44 2e9k h SER 36 Ca -0.67 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.17 2e9k h SER 36 Cb 1.63 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.10 2e9k h SER 36 CO -0.38 0.00 -0.23 0.79 -1.14 0.00 0.00 176.83 175.88 2e9k n TRP 37 N -3.25 0.69 0.03 3.45 7.02 -1.26 -4.02 117.44 120.10 2e9k n TRP 37 Ca 0.02 -1.55 -0.16 0.00 -1.02 0.00 0.00 57.50 54.80 2e9k n TRP 37 Cb 0.51 -0.40 -0.14 0.00 -2.42 0.00 0.00 31.31 28.86 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 1.00 0.20 0.14 -0.99 0.11 -0.23 -3.37 114.38 111.23 2e9k h ARG 38 Ca 0.14 -0.34 -0.33 0.00 0.10 0.00 0.00 59.98 59.55 2e9k h ARG 38 Cb 1.42 0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.62 2e9k h ARG 38 CO 0.25 1.01 -1.71 1.03 0.10 0.00 0.00 179.97 180.64 2e9k h SER 39 N 0.05 0.46 0.00 0.08 0.87 -1.82 -3.06 113.55 110.13 2e9k h SER 39 Ca -0.28 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2e9k h SER 39 Cb 2.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 2e9k h SER 39 CO 0.13 1.62 0.00 0.61 -0.53 0.00 0.00 176.83 178.66 2e9k n GLY 40 N 1.79 2.71 0.27 5.77 0.00 -1.26 -2.72 105.19 111.74 2e9k n GLY 40 Ca -0.22 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.26 -0.12 0.99 4.77 -1.26 -0.62 117.00 120.49 2e9k n LEU 41 Ca 0.00 1.27 -0.04 0.00 -0.03 0.00 0.00 56.01 57.21 2e9k n LEU 41 Cb 0.00 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2e9k n LEU 41 CO 0.00 -1.22 0.49 0.00 -1.33 0.00 0.00 177.39 175.34 2e9k h ALA 42 N 1.47 -0.20 0.54 -1.18 0.00 -1.94 0.13 119.26 118.09 2e9k h ALA 42 Ca 0.36 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2e9k h ALA 42 Cb 0.54 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2e9k h ALA 42 CO -0.76 -0.33 -0.36 1.25 0.00 0.00 0.00 179.25 179.06 2e9k h LEU 43 N -0.01 -0.91 -0.83 0.00 5.85 -1.19 -2.56 115.31 115.66 2e9k h LEU 43 Ca 0.05 0.06 0.29 0.00 0.84 0.00 0.00 57.88 59.12 2e9k h LEU 43 Cb 0.13 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.29 2e9k h LEU 43 CO -0.28 -0.55 0.26 0.00 -0.34 0.00 0.00 178.44 177.52 2e9k h ALA 45 N 1.66 -0.11 -0.28 0.00 0.00 -0.56 0.19 119.26 120.16 2e9k h ALA 45 Ca 0.61 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.57 2e9k h ALA 45 Cb 1.49 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2e9k h ALA 45 CO -0.70 -0.56 -0.13 0.82 0.00 0.00 0.00 179.25 178.68 2e9k h ILE 46 N -0.11 0.59 0.65 0.00 2.04 0.10 0.65 117.51 121.43 2e9k h ILE 46 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2e9k h ILE 46 Cb 0.10 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2e9k h ILE 46 CO 0.01 0.00 -0.31 0.40 0.00 0.00 0.00 178.15 178.24 2e9k h ILE 47 N -0.09 0.00 -0.95 -0.67 2.04 -1.25 -3.13 117.51 113.47 2e9k h ILE 47 Ca 0.14 -0.18 0.29 0.00 1.00 0.00 0.00 64.86 66.12 2e9k h ILE 47 Cb 0.31 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.23 2e9k h ILE 47 CO -0.34 0.00 0.33 -0.74 0.00 0.00 0.00 178.15 177.41 2e9k h HIS 48 N -1.06 0.50 -0.58 1.37 2.76 -0.54 -0.54 115.15 117.06 2e9k h HIS 48 Ca -0.09 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.19 2e9k h HIS 48 Cb 0.67 -0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.49 2e9k h HIS 48 CO 0.03 -0.28 -0.47 -0.09 -1.30 0.00 0.00 177.93 175.82 2e9k h ARG 49 N 0.17 -0.15 0.09 5.26 9.65 -0.80 0.48 114.38 129.08 2e9k h ARG 49 Ca 0.65 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.54 2e9k h ARG 49 Cb 1.45 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 2e9k h ARG 49 CO -0.71 -0.10 -0.04 0.74 2.80 0.00 0.00 179.97 182.66 2e9k h PHE 50 N -0.16 -0.11 -3.10 2.20 -1.00 -1.24 -3.40 116.94 110.14 2e9k h PHE 50 Ca 0.10 -0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.25 2e9k h PHE 50 Cb 0.41 0.04 -0.40 0.00 3.61 0.00 0.00 35.95 39.60 2e9k h PHE 50 CO -0.86 0.30 -0.70 1.03 -1.61 0.00 0.00 178.31 176.46 2e9k s ARG 51 N -4.41 1.52 0.29 1.51 1.81 -0.35 -4.94 118.95 114.37 2e9k s ARG 51 Ca -0.15 -2.23 0.25 0.00 -1.72 0.00 0.00 55.73 51.87 2e9k s ARG 51 Cb 0.02 -2.65 1.03 0.00 -0.45 0.00 0.00 34.95 32.90 2e9k s ARG 51 CO 0.62 -1.15 1.74 -1.00 -0.68 0.00 0.00 175.30 174.83 2e9k h PRO 52 N 6.60 0.00 -0.03 3.54 0.13 -0.26 -2.82 132.00 139.15 2e9k h PRO 52 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 2e9k h PRO 52 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 2e9k h PRO 52 CO 0.55 0.00 -0.59 1.05 -0.23 0.00 0.00 178.00 178.78 2e9k h GLU 53 N 0.00 0.11 -0.13 0.86 4.11 -1.92 -3.22 114.58 114.39 2e9k h GLU 53 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 2e9k h GLU 53 Cb 0.37 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2e9k h GLU 53 CO 0.00 0.67 -0.20 -0.07 0.07 0.00 0.00 179.01 179.48 2e9k h LEU 54 N 0.08 0.40 -8.61 3.06 3.38 -1.88 -3.44 115.31 108.30 2e9k h LEU 54 Ca -0.01 -0.53 -0.64 0.00 0.09 0.00 0.00 57.88 56.79 2e9k h LEU 54 Cb 1.07 -0.11 -0.27 0.00 0.09 0.00 0.00 40.66 41.43 2e9k h LEU 54 CO 0.08 0.85 -0.86 -0.63 0.09 0.00 0.00 178.44 177.97 2e9k s ILE 55 N -4.12 1.89 -0.48 1.22 1.01 -1.21 -5.05 121.20 114.46 2e9k s ILE 55 Ca -0.14 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.31 2e9k s ILE 55 Cb 0.05 -1.62 0.13 0.00 0.01 0.00 0.00 42.46 41.03 2e9k s ILE 55 CO 0.76 0.35 0.23 0.21 0.00 0.00 0.00 174.94 176.49 2e9k s ASN 56 N -1.03 4.69 0.29 3.58 2.47 -1.26 -4.62 114.94 119.06 2e9k s ASN 56 Ca 0.10 -2.66 0.02 0.00 0.42 0.00 0.00 52.86 50.74 2e9k s ASN 56 Cb -0.09 -1.69 0.59 0.00 -1.45 0.00 0.00 41.25 38.60 2e9k s ASN 56 CO 0.01 -0.33 1.85 0.15 -3.72 0.00 0.00 177.10 175.06 2e9k h PHE 57 N 7.04 1.10 -0.95 0.43 3.57 -1.91 -0.23 116.94 125.99 2e9k h PHE 57 Ca -0.06 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.68 2e9k h PHE 57 Cb 0.95 -0.35 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 2e9k h PHE 57 CO 0.54 0.45 0.62 -0.44 -2.23 0.00 0.00 178.31 177.24 2e9k h ASP 58 N 0.96 0.47 0.05 0.41 3.32 -2.00 -2.04 116.42 117.59 2e9k h ASP 58 Ca 0.48 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.47 2e9k h ASP 58 Cb 0.49 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2e9k h ASP 58 CO -0.24 0.17 -0.55 0.77 -1.72 0.00 0.00 179.24 177.66 2e9k h SER 59 N 0.46 0.16 -1.14 6.45 4.64 -1.50 -3.44 113.55 119.17 2e9k h SER 59 Ca 0.51 -0.90 -0.58 0.00 -0.47 0.00 0.00 61.79 60.35 2e9k h SER 59 Cb 1.20 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2e9k h SER 59 CO -0.22 1.24 1.54 0.18 -0.87 0.00 0.00 176.83 178.70 2e9k n LEU 60 N -4.38 2.01 -4.66 5.97 4.77 -0.74 -4.92 117.00 115.05 2e9k n LEU 60 Ca -0.16 0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.58 2e9k n LEU 60 Cb 0.65 -1.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.32 2e9k n LEU 60 CO 0.36 -0.95 -0.25 0.21 -1.33 0.00 0.00 177.39 175.43 2e9k s ASN 61 N 8.99 5.66 0.22 -1.43 2.47 -1.26 -4.92 114.94 124.67 2e9k s ASN 61 Ca 1.10 0.12 -0.03 0.00 0.42 0.00 0.00 52.86 54.47 2e9k s ASN 61 Cb -0.69 -1.93 0.46 0.00 -1.45 0.00 0.00 41.25 37.64 2e9k s ASN 61 CO 0.42 0.21 1.19 -1.84 -3.72 0.00 0.00 177.10 173.36 2e9k n GLU 62 N 3.30 -0.07 -0.25 0.43 0.28 -1.26 0.19 120.64 123.27 2e9k n GLU 62 Ca -0.17 1.17 0.06 0.00 -0.16 0.00 0.00 57.16 58.06 2e9k n GLU 62 Cb 0.52 -1.80 0.19 0.00 1.43 0.00 0.00 31.44 31.79 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2e9k h ASP 63 N 0.00 0.03 -0.54 -1.84 1.82 -1.99 -2.43 116.42 111.48 2e9k h ASP 63 Ca 0.41 0.15 -0.71 0.00 -0.39 0.00 0.00 57.03 56.49 2e9k h ASP 63 Cb 0.74 0.19 -0.05 0.00 0.68 0.00 0.00 39.33 40.89 2e9k h ASP 63 CO -0.76 -0.03 3.12 0.47 -1.61 0.00 0.00 179.24 180.43 2e9k n ASP 64 N -5.15 7.82 0.26 2.28 9.92 0.51 -4.67 116.55 127.52 2e9k n ASP 64 Ca 0.15 -2.85 -0.13 0.00 -0.53 0.00 0.00 54.79 51.43 2e9k n ASP 64 Cb 0.47 -1.49 -0.06 0.00 -0.64 0.00 0.00 41.12 39.40 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 4.99 -0.72 -0.80 2.24 0.00 -1.55 -1.14 119.26 122.27 2e9k h ALA 65 Ca 0.75 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.61 2e9k h ALA 65 Cb 0.34 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 2e9k h ALA 65 CO 1.67 -0.70 -0.35 0.28 0.00 0.00 0.00 179.25 180.14 2e9k h VAL 66 N -1.11 0.09 -0.44 0.00 2.07 -1.80 0.15 116.25 115.21 2e9k h VAL 66 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2e9k h VAL 66 Cb 0.60 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2e9k h VAL 66 CO 0.12 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.57 2e9k h GLU 67 N -0.08 0.65 -0.33 1.57 5.08 -1.90 -2.24 114.58 117.34 2e9k h GLU 67 Ca 0.30 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2e9k h GLU 67 Cb 0.58 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 2e9k h GLU 67 CO -0.84 0.58 -0.37 -0.91 -1.00 0.00 0.00 179.01 176.47 2e9k h ASN 68 N 0.56 -1.21 0.88 1.42 2.35 0.57 0.36 115.58 120.51 2e9k h ASN 68 Ca 0.15 0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 2e9k h ASN 68 Cb 0.17 0.54 0.01 0.00 0.05 0.00 0.00 38.32 39.08 2e9k h ASN 68 CO -0.01 -0.36 -0.45 0.78 -1.65 0.00 0.00 177.43 175.74 2e9k h ASN 69 N -0.33 -1.09 -0.97 5.81 2.35 -0.98 -2.74 115.58 117.64 2e9k h ASN 69 Ca 0.14 0.04 0.32 0.00 -0.55 0.00 0.00 56.30 56.25 2e9k h ASN 69 Cb 0.57 0.29 -0.17 0.00 0.05 0.00 0.00 38.32 39.06 2e9k h ASN 69 CO -0.50 -0.74 0.30 1.56 -1.65 0.00 0.00 177.43 176.39 2e9k h GLN 70 N -1.22 0.08 0.24 0.81 1.08 -1.13 -1.03 115.11 113.94 2e9k h GLN 70 Ca -0.12 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2e9k h GLN 70 Cb 0.94 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2e9k h GLN 70 CO 0.18 0.05 -0.17 1.25 -0.95 0.00 0.00 178.83 179.19 2e9k h LEU 71 N 0.09 -0.46 -0.92 1.46 5.85 -0.66 -0.24 115.31 120.43 2e9k h LEU 71 Ca 0.69 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.69 2e9k h LEU 71 Cb 1.59 0.14 -0.16 0.00 0.37 0.00 0.00 40.66 42.60 2e9k h LEU 71 CO -0.78 -0.25 0.14 0.00 -0.34 0.00 0.00 178.44 177.21 2e9k h ALA 72 N -1.56 1.23 0.15 1.25 0.00 -0.94 0.22 119.26 119.61 2e9k h ALA 72 Ca -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2e9k h ALA 72 Cb 0.33 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2e9k h ALA 72 CO 0.01 -0.54 -0.08 0.74 0.00 0.00 0.00 179.25 179.38 2e9k h PHE 73 N 0.10 -0.22 -0.90 0.00 0.04 -1.08 0.65 116.94 115.53 2e9k h PHE 73 Ca 0.57 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.36 2e9k h PHE 73 Cb 1.19 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.36 2e9k h PHE 73 CO -0.36 -0.13 0.59 0.22 -0.60 0.00 0.00 178.31 178.03 2e9k h ASP 74 N -0.22 1.00 -0.23 2.17 1.82 0.11 0.12 116.42 121.20 2e9k h ASP 74 Ca -0.02 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 2e9k h ASP 74 Cb 0.18 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 2e9k h ASP 74 CO 0.03 0.71 -0.01 0.58 -1.61 0.00 0.00 179.24 178.94 2e9k h VAL 75 N 1.18 1.26 -0.05 2.25 2.07 -0.36 0.35 116.25 122.95 2e9k h VAL 75 Ca 0.34 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 2e9k h VAL 75 Cb -0.06 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2e9k h VAL 75 CO -0.09 0.29 -0.38 0.00 0.02 0.00 0.00 177.57 177.40 2e9k h ALA 76 N 0.80 1.28 0.00 1.67 0.00 -0.49 0.22 119.26 122.73 2e9k h ALA 76 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2e9k h ALA 76 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2e9k h ALA 76 CO 0.01 0.52 -0.25 -1.91 0.00 0.00 0.00 179.25 177.62 2e9k n GLU 77 N -4.07 0.22 -0.09 0.00 0.00 0.40 0.48 120.64 117.57 2e9k n GLU 77 Ca -0.02 0.13 -0.08 0.00 0.00 0.00 0.00 57.16 57.19 2e9k n GLU 77 Cb 0.43 -1.70 -0.16 0.00 0.00 0.00 0.00 31.44 30.01 2e9k n GLU 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2e9k n ARG 78 N -2.05 0.69 -0.12 5.31 3.00 0.10 -3.44 116.66 120.15 2e9k n ARG 78 Ca 0.05 -0.02 -0.24 0.00 -0.00 0.00 0.00 57.85 57.64 2e9k n ARG 78 Cb 0.41 -1.52 -0.08 0.00 0.00 0.00 0.00 32.46 31.27 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2e9k n GLU 79 N -2.71 0.52 0.12 -0.14 -0.58 0.72 -4.61 120.64 113.97 2e9k n GLU 79 Ca -0.31 0.23 0.10 0.00 -0.42 0.00 0.00 57.16 56.76 2e9k n GLU 79 Cb 1.11 -1.39 0.02 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.91 0.00 -1.06 -0.32 0.04 -0.99 -3.48 116.94 110.22 2e9k h PHE 80 Ca -0.53 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.07 2e9k h PHE 80 Cb 1.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.57 2e9k h PHE 80 CO -0.14 0.09 -0.21 0.41 -0.60 0.00 0.00 178.31 177.86 2e9k n GLY 81 N 1.19 0.22 3.61 -1.45 0.00 0.18 -4.93 105.19 104.01 2e9k n GLY 81 Ca -0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.40 5.25 0.13 -0.61 1.01 -0.90 -4.88 121.20 118.79 2e9k s ILE 82 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.74 2e9k s ILE 82 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2e9k s ILE 82 CO 0.00 0.22 1.35 -2.16 0.00 0.00 0.00 174.94 174.35 2e9k s PRO 83 N 1.78 4.35 0.30 2.79 0.04 -1.26 -3.61 135.00 139.39 2e9k s PRO 83 Ca 0.12 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 2e9k s PRO 83 Cb -0.15 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 2e9k s PRO 83 CO 0.09 -0.37 1.23 -1.25 0.04 0.00 0.00 177.00 176.75 2e9k s PRO 84 N 0.75 4.46 0.13 0.56 0.04 -1.26 -4.95 135.00 134.73 2e9k s PRO 84 Ca 0.62 2.06 0.11 0.00 0.04 0.00 0.00 61.00 63.83 2e9k s PRO 84 Cb -0.36 -3.12 -0.13 0.00 0.04 0.00 0.00 34.50 30.92 2e9k s PRO 84 CO 0.32 -0.05 1.17 -0.39 0.04 0.00 0.00 177.00 178.09 2e9k h VAL 85 N 3.11 1.22 -4.02 -0.36 -1.51 -1.96 -3.47 116.25 109.26 2e9k h VAL 85 Ca -0.48 -2.83 -0.19 0.00 -1.23 0.00 0.00 66.70 61.97 2e9k h VAL 85 Cb 1.22 2.58 -0.18 0.00 -2.13 0.00 0.00 31.29 32.78 2e9k h VAL 85 CO 0.67 0.69 -0.70 0.28 -1.23 0.00 0.00 177.57 177.28 2e9k s THR 86 N -2.78 0.36 0.08 7.19 -1.32 -1.26 -5.15 115.64 112.76 2e9k s THR 86 Ca 0.00 -1.46 -0.18 0.00 -1.21 0.00 0.00 61.69 58.85 2e9k s THR 86 Cb 0.09 -1.05 -0.07 0.00 -1.51 0.00 0.00 72.50 69.96 2e9k s THR 86 CO 0.80 -0.72 0.55 0.42 -2.21 0.00 0.00 174.62 173.46 2e9k s THR 87 N -2.71 4.80 0.40 5.08 -4.23 -1.26 -4.89 115.64 112.83 2e9k s THR 87 Ca -0.01 1.10 0.25 0.00 -1.18 0.00 0.00 61.69 61.85 2e9k s THR 87 Cb -0.01 -3.85 0.42 0.00 1.34 0.00 0.00 72.50 70.41 2e9k s THR 87 CO -0.04 0.50 1.61 1.23 -0.54 0.00 0.00 174.62 177.38 2e9k h GLY 88 N 4.39 1.73 0.54 3.99 0.00 -1.89 0.22 103.07 112.05 2e9k h GLY 88 Ca -0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2e9k h GLY 88 CO 0.63 -0.54 -0.40 0.50 0.00 0.00 0.00 176.54 176.73 2e9k h LYS 89 N 0.10 -0.87 -0.63 4.80 1.57 -1.93 0.64 116.57 120.25 2e9k h LYS 89 Ca 0.82 0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 59.60 2e9k h LYS 89 Cb 2.34 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 34.82 2e9k h LYS 89 CO -0.56 -0.58 0.16 0.93 -0.57 0.00 0.00 179.45 178.84 2e9k h GLU 90 N -0.91 0.98 -0.58 3.15 4.39 -1.45 0.39 114.58 120.56 2e9k h GLU 90 Ca -0.07 -0.21 0.06 0.00 0.34 0.00 0.00 59.36 59.47 2e9k h GLU 90 Cb 0.75 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 2e9k h GLU 90 CO 0.03 0.86 0.29 1.98 -1.16 0.00 0.00 179.01 181.01 2e9k h MET 91 N 0.94 0.54 0.11 2.33 4.05 -0.48 0.22 114.93 122.64 2e9k h MET 91 Ca 0.20 -0.03 -0.28 0.00 -0.28 0.00 0.00 59.70 59.31 2e9k h MET 91 Cb 0.32 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 2e9k h MET 91 CO -0.00 0.35 -1.35 0.00 0.23 0.00 0.00 176.91 176.15 2e9k h ALA 92 N 1.32 0.19 0.72 0.39 0.00 -0.62 -3.37 119.26 117.89 2e9k h ALA 92 Ca 0.26 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2e9k h ALA 92 Cb 0.18 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2e9k h ALA 92 CO -0.19 1.07 -0.35 0.77 0.00 0.00 0.00 179.25 180.55 2e9k h SER 93 N 0.07 -0.82 -1.83 0.00 0.02 0.12 -3.42 113.55 107.69 2e9k h SER 93 Ca -0.17 0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 60.20 2e9k h SER 93 Cb 1.98 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.73 2e9k h SER 93 CO 0.18 -0.51 1.34 0.00 -1.14 0.00 0.00 176.83 176.70 2e9k n ALA 94 N -2.61 1.35 -0.26 3.77 0.00 0.74 -4.85 120.51 118.65 2e9k n ALA 94 Ca -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 2e9k n ALA 94 Cb 0.38 -2.69 0.07 0.00 0.00 0.00 0.00 19.45 17.21 2e9k n ALA 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2e9k h GLN 95 N 12.34 0.93 -3.20 0.00 -0.00 -1.88 -3.38 115.11 119.92 2e9k h GLN 95 Ca -0.41 -0.06 -0.58 0.00 -0.00 0.00 0.00 58.65 57.60 2e9k h GLN 95 Cb 1.27 -0.21 -0.40 0.00 -0.00 0.00 0.00 27.48 28.14 2e9k h GLN 95 CO 0.97 0.61 -0.77 -2.00 -0.00 0.00 0.00 178.83 177.65 2e9k s GLU 96 N -6.13 0.74 0.90 0.06 2.12 -1.26 -4.66 118.70 110.47 2e9k s GLU 96 Ca -0.13 -1.24 -0.15 0.00 0.36 0.00 0.00 54.97 53.81 2e9k s GLU 96 Cb 0.15 -1.86 0.22 0.00 0.26 0.00 0.00 34.13 32.90 2e9k s GLU 96 CO 0.77 -1.06 0.80 -0.35 -0.54 0.00 0.00 175.26 174.89 2e9k n PRO 97 N 4.51 -2.59 -2.67 4.30 -0.04 -1.26 -4.95 135.00 132.30 2e9k n PRO 97 Ca 0.02 -1.28 -0.43 0.00 -0.04 0.00 0.00 63.50 61.77 2e9k n PRO 97 Cb 0.40 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.66 6.64 0.21 3.54 1.01 -1.26 -4.93 116.67 118.23 2e9k s ASP 98 Ca 0.52 0.47 -0.18 0.00 0.71 0.00 0.00 52.55 54.07 2e9k s ASP 98 Cb -0.05 -2.52 0.20 0.00 1.01 0.00 0.00 42.92 41.56 2e9k s ASP 98 CO 0.40 -1.13 1.58 0.11 0.21 0.00 0.00 175.17 176.33 2e9k h LYS 99 N 8.99 -0.08 -0.03 8.23 1.57 -1.92 -1.77 116.57 131.56 2e9k h LYS 99 Ca -0.23 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2e9k h LYS 99 Cb 1.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2e9k h LYS 99 CO 1.08 -0.05 -0.21 1.25 -0.57 0.00 0.00 179.45 180.95 2e9k h LEU 100 N -0.09 -0.65 -1.10 2.94 7.12 -1.95 0.11 115.31 121.70 2e9k h LEU 100 Ca 0.30 0.07 0.41 0.00 0.13 0.00 0.00 57.88 58.79 2e9k h LEU 100 Cb 0.57 0.25 -0.16 0.00 -0.53 0.00 0.00 40.66 40.79 2e9k h LEU 100 CO -0.80 -0.19 0.63 0.28 -0.13 0.00 0.00 178.44 178.23 2e9k h SER 101 N -0.24 0.34 0.14 1.25 0.02 -1.79 0.40 113.55 113.67 2e9k h SER 101 Ca 0.01 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2e9k h SER 101 Cb 0.27 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2e9k h SER 101 CO -0.15 -0.32 -0.07 0.24 -1.14 0.00 0.00 176.83 175.39 2e9k h MET 102 N 0.08 -0.19 0.52 3.45 2.86 -0.32 -2.63 114.93 118.70 2e9k h MET 102 Ca 0.82 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.46 2e9k h MET 102 Cb 2.23 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.92 2e9k h MET 102 CO -0.66 0.19 -0.39 0.28 1.06 0.00 0.00 176.91 177.40 2e9k h VAL 103 N -0.61 0.21 -1.05 -2.22 2.07 0.21 0.16 116.25 115.02 2e9k h VAL 103 Ca -0.02 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.78 2e9k h VAL 103 Cb 0.47 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2e9k h VAL 103 CO 0.03 0.00 0.71 0.00 0.02 0.00 0.00 177.57 178.33 2e9k h MET 104 N -0.88 0.23 0.07 1.57 -0.00 -0.91 0.13 114.93 115.15 2e9k h MET 104 Ca -0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.63 2e9k h MET 104 Cb 0.75 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 2e9k h MET 104 CO 0.01 0.16 -0.03 -0.92 -0.00 0.00 0.00 176.91 176.12 2e9k h TYR 105 N 0.24 -0.09 -0.97 -0.10 3.20 -0.97 -3.34 116.97 114.94 2e9k h TYR 105 Ca 0.56 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.72 2e9k h TYR 105 Cb 1.71 0.03 -0.15 0.00 1.54 0.00 0.00 36.73 39.86 2e9k h TYR 105 CO -0.00 -0.05 0.48 -0.07 -1.64 0.00 0.00 178.16 176.88 2e9k h LEU 106 N -0.42 0.39 -0.93 2.82 3.38 -0.36 0.16 115.31 120.35 2e9k h LEU 106 Ca -0.01 0.19 0.26 0.00 0.09 0.00 0.00 57.88 58.42 2e9k h LEU 106 Cb 0.07 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 40.83 2e9k h LEU 106 CO 0.02 -0.13 0.15 -1.28 0.09 0.00 0.00 178.44 177.29 2e9k h SER 107 N 0.31 -0.21 -0.52 -0.43 0.87 -0.86 0.24 113.55 112.94 2e9k h SER 107 Ca 0.68 0.24 0.10 0.00 -1.23 0.00 0.00 61.79 61.59 2e9k h SER 107 Cb 1.51 0.37 -0.11 0.00 -0.44 0.00 0.00 62.40 63.74 2e9k h SER 107 CO -0.62 -0.28 -0.23 0.11 -0.53 0.00 0.00 176.83 175.28 2e9k h LYS 108 N 0.09 -0.11 0.07 2.24 1.57 -0.81 -1.49 116.57 118.12 2e9k h LYS 108 Ca 0.59 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2e9k h LYS 108 Cb 1.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2e9k h LYS 108 CO -0.79 -0.07 -0.03 0.74 -0.57 0.00 0.00 179.45 178.73 2e9k h PHE 109 N -0.11 -0.09 -0.92 -1.35 0.04 -0.69 -0.82 116.94 113.01 2e9k h PHE 109 Ca 0.24 -0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.25 2e9k h PHE 109 Cb 0.49 0.03 -0.17 0.00 2.20 0.00 0.00 35.95 38.50 2e9k h PHE 109 CO -0.52 0.15 0.05 -0.92 -0.60 0.00 0.00 178.31 176.47 2e9k h TYR 110 N -0.31 0.00 0.10 -0.55 3.20 -0.52 0.21 116.97 119.10 2e9k h TYR 110 Ca -0.01 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2e9k h TYR 110 Cb 0.27 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2e9k h TYR 110 CO -0.00 -0.36 -0.05 0.93 -1.64 0.00 0.00 178.16 177.04 2e9k h GLU 111 N 0.06 -0.13 -0.69 1.82 4.39 -1.19 0.04 114.58 118.87 2e9k h GLU 111 Ca 0.55 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.38 2e9k h GLU 111 Cb 1.10 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.65 2e9k h GLU 111 CO -0.83 0.38 -0.30 1.25 -1.16 0.00 0.00 179.01 178.35 2e9k h LEU 112 N -0.85 -1.08 -0.07 1.33 5.85 0.20 -1.68 115.31 119.02 2e9k h LEU 112 Ca -0.01 0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2e9k h LEU 112 Cb 0.57 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2e9k h LEU 112 CO 0.02 -0.29 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.40 2e9k h PHE 113 N -0.10 0.31 -0.85 1.25 0.04 -0.76 -3.41 116.94 113.42 2e9k h PHE 113 Ca 0.28 -0.12 -0.18 0.00 2.80 0.00 0.00 57.97 60.75 2e9k h PHE 113 Cb 0.56 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2e9k h PHE 113 CO -0.66 0.79 0.65 0.50 -0.60 0.00 0.00 178.31 178.99 2e9k s ARG 114 N -3.84 1.79 0.00 1.51 3.52 -0.00 -4.72 118.95 117.21 2e9k s ARG 114 Ca -0.15 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 2e9k s ARG 114 Cb 0.03 -4.71 0.00 0.00 -1.56 0.00 0.00 34.95 28.71 2e9k s ARG 114 CO 0.74 -4.00 0.00 0.41 -0.81 0.00 0.00 175.30 171.64 2e9k n GLY 115 N 6.50 -0.41 3.83 8.12 0.00 -1.26 -4.78 105.19 117.19 2e9k n GLY 115 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.94 4.50 0.16 2.61 -4.23 -1.26 -5.02 115.64 111.46 2e9k s THR 116 Ca 0.00 1.27 -0.31 0.00 -1.18 0.00 0.00 61.69 61.47 2e9k s THR 116 Cb 0.00 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 2e9k s THR 116 CO 0.00 -0.40 1.33 -2.16 -0.54 0.00 0.00 174.62 172.85 2e9k s PRO 117 N -3.40 4.37 -0.53 3.99 0.04 -1.26 -4.99 135.00 133.22 2e9k s PRO 117 Ca 0.59 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.51 2e9k s PRO 117 Cb -0.10 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.35 2e9k s PRO 117 CO 0.19 -0.31 0.49 -0.51 0.04 0.00 0.00 177.00 176.89 2e9k s LEU 118 N 0.40 6.13 0.22 -3.56 1.43 -1.26 -5.05 118.68 116.98 2e9k s LEU 118 Ca 0.60 -1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 51.64 2e9k s LEU 118 Cb -0.36 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 2e9k s LEU 118 CO 0.35 -0.84 1.22 -0.60 0.23 0.00 0.00 176.35 176.71 2e9k s ARG 119 N 1.59 4.48 -0.40 1.70 6.06 -1.26 -4.95 118.95 126.17 2e9k s ARG 119 Ca 0.03 1.94 -0.28 0.00 -2.50 0.00 0.00 55.73 54.92 2e9k s ARG 119 Cb -0.29 -3.20 -0.01 0.00 0.06 0.00 0.00 34.95 31.50 2e9k s ARG 119 CO 0.03 -0.08 1.73 -1.25 -2.50 0.00 0.00 175.30 173.23 2e9k s PRO 120 N -0.61 3.25 0.00 5.12 0.04 -1.26 -5.24 135.00 136.30 2e9k s PRO 120 Ca 0.52 1.17 0.16 0.00 0.04 0.00 0.00 61.00 62.89 2e9k s PRO 120 Cb -0.34 -4.20 0.12 0.00 0.04 0.00 0.00 34.50 30.12 2e9k s PRO 120 CO 0.40 -1.96 0.99 1.33 0.04 0.00 0.00 177.00 177.80