#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 6.39 -4.68 1.61 7.64 -1.26 -4.90 113.62 118.42 2e9k n SER 2 Ca 0.00 -3.05 -0.36 0.00 1.01 0.00 0.00 58.87 56.47 2e9k n SER 2 Cb 0.00 -1.11 -0.09 0.00 -1.01 0.00 0.00 64.21 62.00 2e9k n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e9k s SER 3 N 0.34 6.12 0.00 6.43 0.01 -1.26 -4.95 113.70 120.39 2e9k s SER 3 Ca 0.36 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2e9k s SER 3 Cb 0.26 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.40 2e9k s SER 3 CO -0.05 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2e9k n GLY 4 N 3.95 2.21 2.34 3.44 0.00 -1.26 -4.91 105.19 110.96 2e9k n GLY 4 Ca -0.15 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 7.03 -3.73 1.61 2.88 -1.26 -4.92 113.62 115.23 2e9k n SER 5 Ca 0.00 -3.79 -0.14 0.00 -1.33 0.00 0.00 58.87 53.62 2e9k n SER 5 Cb 0.00 -0.84 -0.14 0.00 -0.75 0.00 0.00 64.21 62.48 2e9k n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e9k s SER 6 N -2.16 -0.05 0.00 -3.46 0.01 -1.26 -5.09 113.70 101.69 2e9k s SER 6 Ca 0.60 0.36 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2e9k s SER 6 Cb 0.48 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2e9k s SER 6 CO -0.05 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2e9k n GLY 7 N 4.35 1.63 3.74 3.44 0.00 -1.26 -5.04 105.19 112.04 2e9k n GLY 7 Ca -0.24 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 4.91 0.26 1.61 2.15 -1.26 -5.01 116.67 119.32 2e9k s ASP 8 Ca 0.00 2.68 -0.01 0.00 0.43 0.00 0.00 52.55 55.66 2e9k s ASP 8 Cb 0.00 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2e9k s ASP 8 CO 0.00 -1.81 0.46 -0.63 -0.17 0.00 0.00 175.17 173.02 2e9k s ILE 9 N -1.36 5.15 -0.01 4.11 -1.09 -1.26 -5.06 121.20 121.68 2e9k s ILE 9 Ca 0.78 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.82 2e9k s ILE 9 Cb -0.39 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2e9k s ILE 9 CO 0.43 -0.32 -0.01 0.03 -1.23 0.00 0.00 174.94 173.84 2e9k h ARG 10 N 1.54 0.00 0.21 2.79 3.08 -1.99 -3.36 114.38 116.65 2e9k h ARG 10 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2e9k h ARG 10 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2e9k h ARG 10 CO 0.65 0.00 -0.10 -1.00 -1.07 0.00 0.00 179.97 178.45 2e9k h PRO 11 N -0.09 -0.28 -0.79 0.04 0.13 -2.00 -3.11 132.00 125.91 2e9k h PRO 11 Ca 0.00 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.28 2e9k h PRO 11 Cb 0.04 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 31.09 2e9k h PRO 11 CO 0.00 0.10 -0.35 1.03 -0.23 0.00 0.00 178.00 178.55 2e9k h SER 12 N -0.77 -1.27 -0.27 1.44 0.87 -2.01 0.90 113.55 112.45 2e9k h SER 12 Ca -0.03 0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 2e9k h SER 12 Cb 0.51 0.66 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 2e9k h SER 12 CO 0.05 -0.30 -0.15 0.50 -0.53 0.00 0.00 176.83 176.40 2e9k h LYS 13 N -0.08 -0.12 -0.40 2.24 3.64 -1.71 -1.93 116.57 118.20 2e9k h LYS 13 Ca 0.29 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2e9k h LYS 13 Cb 0.58 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.33 2e9k h LYS 13 CO -0.83 -0.08 -0.24 1.25 -2.27 0.00 0.00 179.45 177.28 2e9k h LEU 14 N -0.13 -0.81 -0.84 5.20 5.85 -0.79 -0.02 115.31 123.78 2e9k h LEU 14 Ca 0.14 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.15 2e9k h LEU 14 Cb 0.34 0.41 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 2e9k h LEU 14 CO -0.34 -0.27 0.46 0.25 -0.34 0.00 0.00 178.44 178.20 2e9k h LEU 15 N -0.17 0.60 -0.06 2.25 5.85 -0.70 -1.06 115.31 122.01 2e9k h LEU 15 Ca 0.19 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2e9k h LEU 15 Cb 0.47 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2e9k h LEU 15 CO -0.50 0.30 0.03 0.74 -0.34 0.00 0.00 178.44 178.67 2e9k h THR 16 N 0.70 1.00 -0.61 1.05 2.02 -0.30 0.20 112.91 116.97 2e9k h THR 16 Ca 0.43 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.62 2e9k h THR 16 Cb 0.52 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2e9k h THR 16 CO -0.31 0.01 0.37 -0.25 0.37 0.00 0.00 175.52 175.71 2e9k h TRP 17 N 0.07 0.69 -0.15 3.16 7.01 -0.44 -2.01 115.95 124.28 2e9k h TRP 17 Ca 0.02 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2e9k h TRP 17 Cb 0.00 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 2e9k h TRP 17 CO -0.08 0.39 0.01 0.00 -2.79 0.00 0.00 178.44 175.96 2e9k h GLN 19 N 0.01 0.71 0.30 0.00 4.20 -0.32 0.18 115.11 120.20 2e9k h GLN 19 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2e9k h GLN 19 Cb 0.34 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2e9k h GLN 19 CO 0.01 0.47 -0.15 1.96 -0.67 0.00 0.00 178.83 180.45 2e9k h GLN 20 N 0.74 -0.39 -0.27 1.46 1.08 -1.23 0.53 115.11 117.03 2e9k h GLN 20 Ca 0.53 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.77 2e9k h GLN 20 Cb 0.77 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 2e9k h GLN 20 CO -0.37 -0.15 0.13 1.96 -0.95 0.00 0.00 178.83 179.45 2e9k h GLN 21 N -0.57 0.27 -0.09 1.46 1.08 -1.04 -2.28 115.11 113.93 2e9k h GLN 21 Ca -0.04 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 2e9k h GLN 21 Cb 0.42 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2e9k h GLN 21 CO 0.07 0.18 -0.35 1.79 -0.95 0.00 0.00 178.83 179.56 2e9k h THR 22 N 0.27 1.28 -1.54 -0.54 1.35 -0.63 -3.45 112.91 109.64 2e9k h THR 22 Ca 0.11 -1.34 -0.67 0.00 -0.55 0.00 0.00 66.41 63.96 2e9k h THR 22 Cb 0.04 1.61 0.09 0.00 -1.73 0.00 0.00 68.15 68.15 2e9k h THR 22 CO -0.08 0.40 -0.05 1.21 -0.25 0.00 0.00 175.52 176.75 2e9k n GLU 23 N -4.08 0.60 0.00 4.72 2.13 0.18 -1.69 120.64 122.50 2e9k n GLU 23 Ca -0.01 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2e9k n GLU 23 Cb 0.43 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 1.80 3.09 3.62 8.31 0.00 -1.26 -4.99 105.19 115.76 2e9k n GLY 24 Ca 0.16 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 0.67 -3.59 1.61 4.01 -0.68 -4.99 117.16 114.19 2e9k n TYR 25 Ca 0.00 0.38 -0.35 0.00 -0.16 0.00 0.00 57.90 57.77 2e9k n TYR 25 Cb 0.00 -2.06 -0.06 0.00 -0.31 0.00 0.00 39.34 36.92 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 -3.68 3.76 -1.50 -0.72 -1.52 -1.26 -4.17 119.66 110.56 2e9k s GLN 26 Ca 0.71 0.18 -0.03 0.00 -1.95 0.00 0.00 55.36 54.27 2e9k s GLN 26 Cb -0.31 -3.05 0.01 0.00 -0.22 0.00 0.00 33.01 29.44 2e9k s GLN 26 CO 0.52 0.60 0.32 0.72 -0.25 0.00 0.00 175.29 177.21 2e9k n HIS 27 N 1.13 -1.58 -3.78 0.91 8.25 -1.26 -4.95 115.22 113.94 2e9k n HIS 27 Ca -0.10 0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 57.35 2e9k n HIS 27 Cb 0.52 -3.85 -0.14 0.00 1.12 0.00 0.00 29.99 27.64 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 -3.01 1.33 -0.37 1.59 1.01 -1.26 -5.06 120.40 114.63 2e9k s VAL 28 Ca 0.18 -1.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.12 2e9k s VAL 28 Cb -0.09 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.39 2e9k s VAL 28 CO 0.23 -0.74 0.16 0.21 0.00 0.00 0.00 175.10 174.96 2e9k s ASN 29 N 1.03 5.31 -0.46 3.32 2.47 -1.26 -4.88 114.94 120.47 2e9k s ASN 29 Ca 0.13 -1.52 -0.14 0.00 0.42 0.00 0.00 52.86 51.75 2e9k s ASN 29 Cb -0.20 -1.86 0.08 0.00 -1.45 0.00 0.00 41.25 37.82 2e9k s ASN 29 CO -0.13 -0.44 0.37 -0.69 -3.72 0.00 0.00 177.10 172.49 2e9k s VAL 30 N 1.31 4.96 -0.02 -5.21 1.01 -1.26 -4.82 120.40 116.38 2e9k s VAL 30 Ca 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2e9k s VAL 30 Cb -0.21 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2e9k s VAL 30 CO -0.00 -0.59 -0.01 0.35 0.00 0.00 0.00 175.10 174.85 2e9k n THR 31 N 5.13 0.09 -4.73 3.92 -2.24 -1.26 -4.82 114.28 110.37 2e9k n THR 31 Ca -0.12 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 2e9k n THR 31 Cb 0.43 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.85 2e9k n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2e9k s ASP 32 N -3.72 3.93 -0.26 3.42 2.15 -1.26 -5.06 116.67 115.86 2e9k s ASP 32 Ca -0.02 -1.68 0.09 0.00 0.43 0.00 0.00 52.55 51.37 2e9k s ASP 32 Cb 0.00 0.58 0.45 0.00 -0.30 0.00 0.00 42.92 43.65 2e9k s ASP 32 CO 0.05 -0.89 1.27 0.18 -0.17 0.00 0.00 175.17 175.60 2e9k n LEU 33 N -1.22 3.88 0.06 -1.34 4.77 -1.26 -4.30 117.00 117.58 2e9k n LEU 33 Ca -0.18 -4.22 0.00 0.00 -0.03 0.00 0.00 56.01 51.58 2e9k n LEU 33 Cb 0.67 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2e9k n LEU 33 CO 0.37 1.66 -0.07 0.35 -1.33 0.00 0.00 177.39 178.37 2e9k n THR 34 N -0.96 0.15 0.05 -5.08 -2.24 -1.26 -4.64 114.28 100.29 2e9k n THR 34 Ca 0.32 0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.93 2e9k n THR 34 Cb 0.84 -0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 2e9k n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2e9k h THR 35 N 0.00 0.86 -0.33 4.28 1.35 -1.90 -3.26 112.91 113.91 2e9k h THR 35 Ca 0.00 -2.49 0.10 0.00 -0.55 0.00 0.00 66.41 63.47 2e9k h THR 35 Cb 0.13 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2e9k h THR 35 CO 0.00 0.86 0.27 0.28 -0.25 0.00 0.00 175.52 176.68 2e9k h SER 36 N 0.09 0.00 -0.45 5.36 0.02 -1.88 0.86 113.55 117.56 2e9k h SER 36 Ca -0.36 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.40 2e9k h SER 36 Cb 2.07 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.50 2e9k h SER 36 CO 0.15 0.00 0.06 0.79 -1.14 0.00 0.00 176.83 176.69 2e9k n TRP 37 N -4.19 1.41 0.09 3.45 7.02 -1.25 -4.12 117.44 119.85 2e9k n TRP 37 Ca 0.05 -1.48 -0.19 0.00 -1.02 0.00 0.00 57.50 54.86 2e9k n TRP 37 Cb 0.44 -0.53 -0.15 0.00 -2.42 0.00 0.00 31.31 28.65 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 1.24 0.34 0.07 -0.99 0.11 -0.85 -3.37 114.38 110.92 2e9k h ARG 38 Ca 0.24 -0.58 -0.25 0.00 0.10 0.00 0.00 59.98 59.50 2e9k h ARG 38 Cb 1.83 0.21 -0.01 0.00 1.11 0.00 0.00 29.97 33.11 2e9k h ARG 38 CO 0.48 1.24 -1.30 1.03 0.10 0.00 0.00 179.97 181.52 2e9k h SER 39 N 0.09 0.25 0.00 0.08 0.87 -1.80 -3.25 113.55 109.78 2e9k h SER 39 Ca -0.23 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 2e9k h SER 39 Cb 2.05 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2e9k h SER 39 CO 0.20 1.55 0.00 0.61 -0.53 0.00 0.00 176.83 178.66 2e9k n GLY 40 N 1.67 2.94 0.30 5.77 0.00 -1.26 -3.07 105.19 111.53 2e9k n GLY 40 Ca -0.26 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.37 -0.12 0.99 4.77 -1.26 -0.64 117.00 120.37 2e9k n LEU 41 Ca 0.00 1.39 -0.06 0.00 -0.03 0.00 0.00 56.01 57.31 2e9k n LEU 41 Cb 0.00 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2e9k n LEU 41 CO 0.00 -1.31 0.50 0.00 -1.33 0.00 0.00 177.39 175.25 2e9k h ALA 42 N 1.45 -0.41 0.63 -1.18 0.00 -1.95 0.18 119.26 117.98 2e9k h ALA 42 Ca 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2e9k h ALA 42 Cb 0.55 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2e9k h ALA 42 CO -0.82 -0.56 -0.33 1.25 0.00 0.00 0.00 179.25 178.78 2e9k h LEU 43 N -0.11 -0.81 -1.00 0.00 5.85 -1.19 -2.65 115.31 115.41 2e9k h LEU 43 Ca 0.05 0.04 0.37 0.00 0.84 0.00 0.00 57.88 59.18 2e9k h LEU 43 Cb 0.24 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 41.31 2e9k h LEU 43 CO -0.35 -0.55 0.38 0.00 -0.34 0.00 0.00 178.44 177.58 2e9k h ALA 45 N 1.99 0.95 -0.09 0.00 0.00 -0.28 0.54 119.26 122.38 2e9k h ALA 45 Ca 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2e9k h ALA 45 Cb 1.90 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2e9k h ALA 45 CO -0.82 0.20 0.05 0.82 0.00 0.00 0.00 179.25 179.50 2e9k h ILE 46 N 0.85 1.01 0.58 0.00 2.04 0.12 -1.70 117.51 120.42 2e9k h ILE 46 Ca 0.30 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 2e9k h ILE 46 Cb 0.07 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2e9k h ILE 46 CO -0.13 0.02 -0.28 0.40 0.00 0.00 0.00 178.15 178.16 2e9k h ILE 47 N 0.11 0.00 -0.96 -0.67 2.04 -1.11 -3.16 117.51 113.75 2e9k h ILE 47 Ca 0.03 -0.15 0.26 0.00 1.00 0.00 0.00 64.86 66.00 2e9k h ILE 47 Cb -0.01 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 35.90 2e9k h ILE 47 CO -0.01 0.00 0.05 -0.74 0.00 0.00 0.00 178.15 177.44 2e9k h HIS 48 N -0.93 -0.01 -0.58 1.37 2.76 -0.94 -0.54 115.15 116.28 2e9k h HIS 48 Ca -0.08 0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 2e9k h HIS 48 Cb 0.60 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.65 2e9k h HIS 48 CO 0.05 -0.41 -0.36 -0.09 -1.30 0.00 0.00 177.93 175.82 2e9k h ARG 49 N 0.03 -0.03 0.20 5.26 9.65 -1.27 0.58 114.38 128.79 2e9k h ARG 49 Ca 0.59 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.46 2e9k h ARG 49 Cb 1.20 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2e9k h ARG 49 CO -0.88 -0.02 -0.09 0.74 2.80 0.00 0.00 179.97 182.51 2e9k h PHE 50 N -0.03 -0.25 -3.02 2.20 -1.00 -1.21 -3.39 116.94 110.24 2e9k h PHE 50 Ca 0.09 -0.01 -0.61 0.00 2.81 0.00 0.00 57.97 60.26 2e9k h PHE 50 Cb 0.27 0.08 -0.40 0.00 3.61 0.00 0.00 35.95 39.51 2e9k h PHE 50 CO -0.96 -0.02 -0.75 1.03 -1.61 0.00 0.00 178.31 176.01 2e9k s ARG 51 N -5.45 1.13 0.00 1.51 3.00 -0.58 -4.96 118.95 113.61 2e9k s ARG 51 Ca -0.15 -1.77 0.14 0.00 0.00 0.00 0.00 55.73 53.96 2e9k s ARG 51 Cb 0.04 -2.24 0.67 0.00 0.00 0.00 0.00 34.95 33.42 2e9k s ARG 51 CO 0.63 -1.12 1.43 -0.35 0.00 0.00 0.00 175.30 175.89 2e9k n PRO 52 N 3.87 0.09 -0.08 3.54 -0.04 0.19 -2.85 135.00 139.73 2e9k n PRO 52 Ca 0.06 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2e9k n PRO 52 Cb 0.36 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2e9k n PRO 52 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2e9k h GLU 53 N 0.00 0.86 0.56 0.54 4.57 -1.93 -3.32 114.58 115.86 2e9k h GLU 53 Ca 0.00 -0.55 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 2e9k h GLU 53 Cb 0.20 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2e9k h GLU 53 CO 0.00 1.18 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.67 2e9k h LEU 54 N 0.64 -0.64 -8.89 1.64 3.38 -1.91 -3.44 115.31 106.10 2e9k h LEU 54 Ca 0.01 -0.04 -0.68 0.00 0.09 0.00 0.00 57.88 57.26 2e9k h LEU 54 Cb 1.14 0.17 -0.23 0.00 0.09 0.00 0.00 40.66 41.83 2e9k h LEU 54 CO 0.12 -0.27 -0.75 -0.63 0.09 0.00 0.00 178.44 177.00 2e9k s ILE 55 N -4.68 3.19 -0.68 1.22 1.01 -1.25 -5.08 121.20 114.94 2e9k s ILE 55 Ca -0.14 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2e9k s ILE 55 Cb 0.02 -2.28 0.17 0.00 0.01 0.00 0.00 42.46 40.37 2e9k s ILE 55 CO 0.47 0.58 0.47 0.21 0.00 0.00 0.00 174.94 176.67 2e9k s ASN 56 N -0.51 4.94 0.23 3.58 2.47 -1.26 -4.55 114.94 119.84 2e9k s ASN 56 Ca 0.07 -3.48 -0.15 0.00 0.42 0.00 0.00 52.86 49.71 2e9k s ASN 56 Cb -0.12 -1.71 0.27 0.00 -1.45 0.00 0.00 41.25 38.24 2e9k s ASN 56 CO 0.02 -0.18 1.57 0.15 -3.72 0.00 0.00 177.10 174.94 2e9k h PHE 57 N 6.00 -0.83 -0.87 0.43 3.04 -1.91 0.45 116.94 123.25 2e9k h PHE 57 Ca 0.07 0.09 0.35 0.00 3.98 0.00 0.00 57.97 62.45 2e9k h PHE 57 Cb 0.83 0.49 -0.16 0.00 2.56 0.00 0.00 35.95 39.67 2e9k h PHE 57 CO 0.65 -0.39 0.40 -0.25 -2.02 0.00 0.00 178.31 176.70 2e9k n ASP 58 N -5.50 0.24 0.04 0.41 8.00 -1.26 0.72 116.55 119.19 2e9k n ASP 58 Ca 0.10 1.46 -0.20 0.00 0.71 0.00 0.00 54.79 56.86 2e9k n ASP 58 Cb 0.41 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 2e9k n ASP 58 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2e9k h SER 59 N 0.00 0.43 -1.57 -2.24 0.87 -0.56 -3.45 113.55 107.03 2e9k h SER 59 Ca 0.71 -0.94 -0.69 0.00 -1.23 0.00 0.00 61.79 59.65 2e9k h SER 59 Cb 1.83 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.66 2e9k h SER 59 CO -0.70 1.41 1.10 0.18 -0.53 0.00 0.00 176.83 178.29 2e9k n LEU 60 N -4.12 2.64 -4.58 2.23 4.77 0.22 -4.95 117.00 113.22 2e9k n LEU 60 Ca -0.15 0.87 -0.33 0.00 -0.03 0.00 0.00 56.01 56.37 2e9k n LEU 60 Cb 0.82 -1.24 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 2e9k n LEU 60 CO 0.46 -0.39 -0.39 0.21 -1.33 0.00 0.00 177.39 175.95 2e9k s ASN 61 N 4.71 4.56 0.20 -1.43 2.47 -1.26 -4.91 114.94 119.27 2e9k s ASN 61 Ca 1.00 -0.10 -0.22 0.00 0.42 0.00 0.00 52.86 53.96 2e9k s ASN 61 Cb -0.91 -1.09 0.13 0.00 -1.45 0.00 0.00 41.25 37.93 2e9k s ASN 61 CO 0.57 0.33 1.56 -0.33 -3.72 0.00 0.00 177.10 175.51 2e9k h GLU 62 N 4.94 -0.09 -1.10 0.43 5.08 -1.97 0.97 114.58 122.84 2e9k h GLU 62 Ca -0.48 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.19 2e9k h GLU 62 Cb 1.17 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 2e9k h GLU 62 CO 0.53 -0.06 0.76 -0.44 -1.00 0.00 0.00 179.01 178.79 2e9k h ASP 63 N -0.09 0.19 -0.40 1.42 3.32 -2.01 0.57 116.42 119.42 2e9k h ASP 63 Ca 0.26 0.04 -0.26 0.00 0.02 0.00 0.00 57.03 57.09 2e9k h ASP 63 Cb 0.56 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.01 2e9k h ASP 63 CO -0.85 0.03 0.21 0.47 -1.72 0.00 0.00 179.24 177.39 2e9k n ASP 64 N -4.38 6.05 0.01 6.45 9.92 0.34 -4.51 116.55 130.42 2e9k n ASP 64 Ca 0.25 -2.86 -0.12 0.00 -0.53 0.00 0.00 54.79 51.53 2e9k n ASP 64 Cb 1.07 -1.15 -0.07 0.00 -0.64 0.00 0.00 41.12 40.33 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 1.79 0.05 -0.22 2.24 0.00 -0.95 0.26 119.26 122.43 2e9k h ALA 65 Ca 0.22 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2e9k h ALA 65 Cb 0.97 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2e9k h ALA 65 CO 0.53 -0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.57 2e9k h VAL 66 N -0.03 0.70 -0.11 0.00 2.07 -1.80 -0.93 116.25 116.15 2e9k h VAL 66 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2e9k h VAL 66 Cb 0.10 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2e9k h VAL 66 CO -0.00 0.00 0.01 -0.33 0.02 0.00 0.00 177.57 177.27 2e9k h GLU 67 N -0.05 0.18 -0.18 1.57 4.39 -1.89 -2.65 114.58 115.96 2e9k h GLU 67 Ca 0.12 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2e9k h GLU 67 Cb 0.23 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 2e9k h GLU 67 CO -0.26 0.41 -0.48 -0.91 -1.16 0.00 0.00 179.01 176.62 2e9k h ASN 68 N -0.07 -1.52 0.17 1.42 2.35 -0.17 0.32 115.58 118.08 2e9k h ASN 68 Ca 0.03 0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2e9k h ASN 68 Cb 0.33 0.61 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 2e9k h ASN 68 CO 0.00 -0.44 -0.47 0.78 -1.65 0.00 0.00 177.43 175.65 2e9k h ASN 69 N -0.51 -1.41 -0.81 5.81 2.35 -1.10 -1.73 115.58 118.19 2e9k h ASN 69 Ca 0.07 0.14 0.19 0.00 -0.55 0.00 0.00 56.30 56.15 2e9k h ASN 69 Cb 0.65 0.51 -0.14 0.00 0.05 0.00 0.00 38.32 39.38 2e9k h ASN 69 CO -0.45 -0.52 -0.03 -0.61 -1.65 0.00 0.00 177.43 174.17 2e9k h GLN 70 N -0.72 0.07 0.23 0.81 5.75 -1.15 -0.79 115.11 119.31 2e9k h GLN 70 Ca -0.02 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2e9k h GLN 70 Cb 0.70 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2e9k h GLN 70 CO -0.22 0.04 -0.31 1.25 -2.65 0.00 0.00 178.83 176.94 2e9k h LEU 71 N 0.07 -0.88 -0.74 -2.39 5.85 -0.26 0.20 115.31 117.16 2e9k h LEU 71 Ca 0.44 0.08 0.16 0.00 0.84 0.00 0.00 57.88 59.40 2e9k h LEU 71 Cb 0.78 0.30 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 2e9k h LEU 71 CO -0.74 -0.38 -0.05 0.00 -0.34 0.00 0.00 178.44 176.92 2e9k h ALA 72 N -1.15 0.68 -0.03 1.25 0.00 -0.48 0.22 119.26 119.75 2e9k h ALA 72 Ca -0.03 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2e9k h ALA 72 Cb 0.51 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2e9k h ALA 72 CO -0.08 -0.42 -0.02 0.74 0.00 0.00 0.00 179.25 179.47 2e9k h PHE 73 N 0.07 -0.04 0.48 0.00 0.04 -0.83 -1.10 116.94 115.56 2e9k h PHE 73 Ca 0.39 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.15 2e9k h PHE 73 Cb 0.66 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2e9k h PHE 73 CO -0.47 -0.03 -0.32 0.22 -0.60 0.00 0.00 178.31 177.11 2e9k h ASP 74 N -0.02 -0.80 -0.97 2.17 3.58 0.12 -0.51 116.42 119.99 2e9k h ASP 74 Ca 0.02 0.05 0.19 0.00 0.42 0.00 0.00 57.03 57.71 2e9k h ASP 74 Cb 0.05 0.24 -0.11 0.00 1.72 0.00 0.00 39.33 41.23 2e9k h ASP 74 CO -0.04 -0.49 0.56 0.58 -2.88 0.00 0.00 179.24 176.97 2e9k h VAL 75 N -0.77 0.67 -0.07 2.25 2.07 -0.57 0.34 116.25 120.16 2e9k h VAL 75 Ca -0.05 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2e9k h VAL 75 Cb 0.64 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2e9k h VAL 75 CO 0.04 0.13 -0.43 0.00 0.02 0.00 0.00 177.57 177.32 2e9k h ALA 76 N 1.65 1.15 0.00 1.67 0.00 -0.79 0.23 119.26 123.17 2e9k h ALA 76 Ca 0.57 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2e9k h ALA 76 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2e9k h ALA 76 CO -0.41 0.58 -0.22 -1.91 0.00 0.00 0.00 179.25 177.30 2e9k n GLU 77 N -4.01 0.21 -0.11 0.00 2.13 0.86 0.23 120.64 119.95 2e9k n GLU 77 Ca -0.02 0.13 -0.13 0.00 0.66 0.00 0.00 57.16 57.80 2e9k n GLU 77 Cb 0.48 -1.70 -0.14 0.00 0.27 0.00 0.00 31.44 30.35 2e9k n GLU 77 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2e9k n ARG 78 N -2.03 0.68 -0.11 5.31 1.74 0.61 -3.61 116.66 119.24 2e9k n ARG 78 Ca 0.05 0.06 -0.19 0.00 -0.77 0.00 0.00 57.85 57.00 2e9k n ARG 78 Cb 0.41 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.96 0.55 0.15 5.56 -0.58 0.76 -4.59 120.64 119.53 2e9k n GLU 79 Ca -0.37 0.23 0.09 0.00 -0.42 0.00 0.00 57.16 56.69 2e9k n GLU 79 Cb 1.09 -1.45 0.06 0.00 -0.57 0.00 0.00 31.44 30.58 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 -0.99 0.00 -2.34 -0.32 0.04 -1.08 -3.48 116.94 108.76 2e9k h PHE 80 Ca -0.34 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.21 2e9k h PHE 80 Cb 1.29 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.47 2e9k h PHE 80 CO -0.26 0.14 -0.32 0.41 -0.60 0.00 0.00 178.31 177.68 2e9k n GLY 81 N 1.18 0.00 3.50 -1.45 0.00 0.64 -4.91 105.19 104.15 2e9k n GLY 81 Ca 0.01 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.79 4.94 -0.00 -0.61 1.01 -0.50 -4.86 121.20 118.39 2e9k s ILE 82 Ca 0.12 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 2e9k s ILE 82 Cb -0.05 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 2e9k s ILE 82 CO 0.15 0.11 1.45 -2.16 0.00 0.00 0.00 174.94 174.48 2e9k s PRO 83 N 1.68 4.26 0.28 2.79 0.04 -1.26 -3.68 135.00 139.11 2e9k s PRO 83 Ca 0.06 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2e9k s PRO 83 Cb -0.17 -3.62 -0.10 0.00 0.04 0.00 0.00 34.50 30.65 2e9k s PRO 83 CO 0.08 -0.63 1.25 -1.25 0.04 0.00 0.00 177.00 176.49 2e9k s PRO 84 N 2.64 4.45 0.18 0.56 0.04 -1.26 -4.95 135.00 136.66 2e9k s PRO 84 Ca 0.66 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.86 2e9k s PRO 84 Cb -0.32 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 2e9k s PRO 84 CO 0.27 -0.09 1.29 -0.39 0.04 0.00 0.00 177.00 178.12 2e9k h VAL 85 N 3.26 1.22 -3.90 -0.36 -1.51 -1.94 -3.46 116.25 109.56 2e9k h VAL 85 Ca -0.47 -2.77 -0.26 0.00 -1.23 0.00 0.00 66.70 61.96 2e9k h VAL 85 Cb 1.22 2.59 -0.19 0.00 -2.13 0.00 0.00 31.29 32.78 2e9k h VAL 85 CO 0.69 0.70 -0.72 0.28 -1.23 0.00 0.00 177.57 177.29 2e9k s THR 86 N -2.83 0.63 -0.05 7.19 -1.32 -1.26 -5.14 115.64 112.86 2e9k s THR 86 Ca 0.02 -1.42 -0.12 0.00 -1.21 0.00 0.00 61.69 58.96 2e9k s THR 86 Cb 0.09 -1.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.99 2e9k s THR 86 CO 0.79 -0.56 0.31 0.42 -2.21 0.00 0.00 174.62 173.37 2e9k s THR 87 N -2.22 5.20 0.20 5.08 -4.23 -1.26 -4.88 115.64 113.53 2e9k s THR 87 Ca -0.01 0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 2e9k s THR 87 Cb -0.04 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.49 2e9k s THR 87 CO -0.01 0.59 1.15 0.61 -0.54 0.00 0.00 174.62 176.41 2e9k n GLY 88 N 1.92 -1.31 0.45 3.99 0.00 -1.26 0.05 105.19 109.03 2e9k n GLY 88 Ca -0.16 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.50 -0.15 1.61 1.79 -1.92 0.13 116.57 117.54 2e9k h LYS 89 Ca 0.33 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.83 2e9k h LYS 89 Cb 0.51 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2e9k h LYS 89 CO -0.75 -0.33 0.06 1.49 -1.08 0.00 0.00 179.45 178.83 2e9k h GLU 90 N -0.52 0.22 -0.92 3.15 4.57 -0.78 0.31 114.58 120.61 2e9k h GLU 90 Ca 0.06 -0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.42 2e9k h GLU 90 Cb 0.65 -0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 29.09 2e9k h GLU 90 CO -0.47 0.31 0.44 1.98 -1.18 0.00 0.00 179.01 180.09 2e9k h MET 91 N 0.08 0.43 0.20 1.92 4.05 -0.05 0.37 114.93 121.93 2e9k h MET 91 Ca 0.05 -0.03 -0.33 0.00 -0.28 0.00 0.00 59.70 59.11 2e9k h MET 91 Cb 0.17 -0.10 0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2e9k h MET 91 CO -0.00 0.29 -1.54 0.00 0.23 0.00 0.00 176.91 175.89 2e9k h ALA 92 N 1.71 0.02 0.96 0.39 0.00 -0.51 -3.37 119.26 118.46 2e9k h ALA 92 Ca 0.58 -0.98 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2e9k h ALA 92 Cb 1.09 0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2e9k h ALA 92 CO -0.51 0.88 -0.46 0.77 0.00 0.00 0.00 179.25 179.93 2e9k h SER 93 N 0.12 -1.09 -1.30 0.00 0.02 0.12 -3.41 113.55 108.00 2e9k h SER 93 Ca -0.26 0.04 -0.69 0.00 -0.84 0.00 0.00 61.79 60.04 2e9k h SER 93 Cb 2.11 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 64.92 2e9k h SER 93 CO 0.22 -0.77 1.24 0.00 -1.14 0.00 0.00 176.83 176.38 2e9k n ALA 94 N -2.66 0.69 0.02 3.77 0.00 0.12 -4.84 120.51 117.60 2e9k n ALA 94 Ca -0.16 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 2e9k n ALA 94 Cb 0.51 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 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 10.48 -0.19 -3.51 0.00 4.15 -1.89 -3.38 115.11 120.76 2e9k h GLN 95 Ca -0.34 0.01 -0.58 0.00 0.77 0.00 0.00 58.65 58.51 2e9k h GLN 95 Cb 1.32 0.04 -0.40 0.00 0.21 0.00 0.00 27.48 28.65 2e9k h GLN 95 CO 1.00 -0.13 -0.76 -2.00 -1.93 0.00 0.00 178.83 175.01 2e9k s GLU 96 N -6.14 0.70 1.25 1.69 2.12 -1.26 -4.90 118.70 112.15 2e9k s GLU 96 Ca -0.14 -1.07 -0.21 0.00 0.36 0.00 0.00 54.97 53.91 2e9k s GLU 96 Cb 0.09 -1.95 0.31 0.00 0.26 0.00 0.00 34.13 32.84 2e9k s GLU 96 CO 0.67 -0.99 1.11 -1.25 -0.54 0.00 0.00 175.26 174.26 2e9k s PRO 97 N 1.62 -1.60 -0.14 4.30 0.04 -1.26 -5.00 135.00 132.96 2e9k s PRO 97 Ca 0.10 -0.19 -0.22 0.00 0.04 0.00 0.00 61.00 60.73 2e9k s PRO 97 Cb -0.17 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2e9k s PRO 97 CO -0.25 -3.93 0.66 -0.51 0.04 0.00 0.00 177.00 173.00 2e9k s ASP 98 N -3.99 6.82 0.50 6.66 1.01 -1.26 -4.94 116.67 121.46 2e9k s ASP 98 Ca 0.72 0.99 0.15 0.00 0.71 0.00 0.00 52.55 55.12 2e9k s ASP 98 Cb -0.08 -2.37 1.20 0.00 1.01 0.00 0.00 42.92 42.68 2e9k s ASP 98 CO 0.56 -0.21 2.12 0.07 0.21 0.00 0.00 175.17 177.92 2e9k h LYS 99 N 7.14 0.05 0.43 8.23 -0.00 -1.95 -2.22 116.57 128.26 2e9k h LYS 99 Ca -0.35 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.27 2e9k h LYS 99 Cb 1.16 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2e9k h LYS 99 CO 0.77 0.05 -0.21 -0.07 -0.00 0.00 0.00 179.45 180.00 2e9k h LEU 100 N 0.05 -0.49 -1.20 7.07 -0.00 -1.93 0.56 115.31 119.38 2e9k h LEU 100 Ca 0.01 -0.11 0.14 0.00 -0.00 0.00 0.00 57.88 57.93 2e9k h LEU 100 Cb 0.03 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 40.74 2e9k h LEU 100 CO -0.00 -0.10 0.59 0.77 -0.00 0.00 0.00 178.44 179.70 2e9k h SER 101 N -0.95 0.73 0.20 -0.43 4.64 -1.93 0.22 113.55 116.03 2e9k h SER 101 Ca -0.06 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2e9k h SER 101 Cb 0.56 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2e9k h SER 101 CO 0.10 0.37 -0.10 0.24 -0.87 0.00 0.00 176.83 176.57 2e9k h MET 102 N 0.77 -0.26 -0.13 4.77 2.86 -1.37 -2.58 114.93 119.00 2e9k h MET 102 Ca 0.47 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.16 2e9k h MET 102 Cb 0.68 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 2e9k h MET 102 CO -0.23 0.14 -0.10 0.28 1.06 0.00 0.00 176.91 178.06 2e9k h VAL 103 N -0.80 0.71 -0.91 -2.22 2.07 -0.39 0.22 116.25 114.94 2e9k h VAL 103 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2e9k h VAL 103 Cb 0.51 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2e9k h VAL 103 CO 0.04 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.22 2e9k h MET 104 N -0.11 0.76 0.17 1.57 -0.00 -0.68 0.16 114.93 116.81 2e9k h MET 104 Ca 0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.73 2e9k h MET 104 Cb 0.23 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2e9k h MET 104 CO -0.19 0.51 -0.08 -0.92 -0.00 0.00 0.00 176.91 176.22 2e9k h TYR 105 N 0.79 -0.21 -0.85 -0.10 3.20 -0.89 -3.29 116.97 115.61 2e9k h TYR 105 Ca 0.45 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.53 2e9k h TYR 105 Cb 0.60 0.07 -0.13 0.00 1.54 0.00 0.00 36.73 38.81 2e9k h TYR 105 CO -0.00 -0.13 0.24 -0.07 -1.64 0.00 0.00 178.16 176.56 2e9k h LEU 106 N -0.59 0.05 -0.87 2.82 3.38 -0.52 0.93 115.31 120.51 2e9k h LEU 106 Ca -0.02 0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2e9k h LEU 106 Cb 0.18 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.01 2e9k h LEU 106 CO 0.04 -0.10 0.11 0.28 0.09 0.00 0.00 178.44 178.86 2e9k h SER 107 N 0.25 -0.23 -0.99 -0.43 0.02 -0.79 0.51 113.55 111.89 2e9k h SER 107 Ca 0.52 0.22 0.27 0.00 -0.84 0.00 0.00 61.79 61.95 2e9k h SER 107 Cb 1.00 0.35 -0.13 0.00 0.14 0.00 0.00 62.40 63.76 2e9k h SER 107 CO -0.60 -0.21 0.57 0.11 -1.14 0.00 0.00 176.83 175.55 2e9k h LYS 108 N 0.12 0.47 0.00 3.45 1.57 -0.87 -0.98 116.57 120.34 2e9k h LYS 108 Ca 0.52 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 2e9k h LYS 108 Cb 1.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2e9k h LYS 108 CO -0.73 0.31 -0.07 0.74 -0.57 0.00 0.00 179.45 179.14 2e9k h PHE 109 N 0.49 0.06 -0.80 -1.35 0.04 -0.11 -2.45 116.94 112.82 2e9k h PHE 109 Ca 0.67 -0.04 0.14 0.00 2.80 0.00 0.00 57.97 61.54 2e9k h PHE 109 Cb 1.35 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 39.35 2e9k h PHE 109 CO -0.02 0.89 -0.33 -0.92 -0.60 0.00 0.00 178.31 177.33 2e9k h TYR 110 N -0.79 -0.91 0.14 -0.55 3.20 -0.22 0.19 116.97 118.04 2e9k h TYR 110 Ca -0.01 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2e9k h TYR 110 Cb 0.91 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.70 2e9k h TYR 110 CO 0.22 -0.39 -0.07 0.93 -1.64 0.00 0.00 178.16 177.21 2e9k h GLU 111 N -0.07 -0.19 -0.83 1.82 5.08 -1.43 -0.23 114.58 118.73 2e9k h GLU 111 Ca 0.31 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.86 2e9k h GLU 111 Cb 0.58 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.72 2e9k h GLU 111 CO -0.84 0.20 -0.10 1.25 -1.00 0.00 0.00 179.01 178.52 2e9k h LEU 112 N -0.63 -0.59 0.03 1.33 5.85 -0.78 0.62 115.31 121.14 2e9k h LEU 112 Ca -0.02 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2e9k h LEU 112 Cb 0.47 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2e9k h LEU 112 CO 0.03 -0.26 -0.01 -0.26 -0.34 0.00 0.00 178.44 177.60 2e9k h PHE 113 N 0.03 -0.03 -0.88 1.25 0.04 -0.67 -3.27 116.94 113.40 2e9k h PHE 113 Ca 0.43 -0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.44 2e9k h PHE 113 Cb 0.74 0.01 -0.15 0.00 2.20 0.00 0.00 35.95 38.75 2e9k h PHE 113 CO -0.55 0.56 0.14 -0.09 -0.60 0.00 0.00 178.31 177.76 2e9k h ARG 114 N -0.66 0.12 0.00 1.51 2.43 0.22 -3.44 114.38 114.56 2e9k h ARG 114 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2e9k h ARG 114 Cb 0.61 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2e9k h ARG 114 CO 0.01 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 2e9k n GLY 115 N -1.42 5.49 3.90 2.80 0.00 0.09 -5.08 105.19 110.97 2e9k n GLY 115 Ca 0.21 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 1.78 4.97 -0.14 2.61 -4.23 -1.26 -4.72 115.64 114.65 2e9k s THR 116 Ca 0.00 0.18 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 2e9k s THR 116 Cb 0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2e9k s THR 116 CO 0.00 -0.37 1.55 -2.16 -0.54 0.00 0.00 174.62 173.11 2e9k s PRO 117 N -3.61 4.05 0.21 3.99 0.04 -1.26 -4.75 135.00 133.66 2e9k s PRO 117 Ca 0.46 1.88 -0.32 0.00 0.04 0.00 0.00 61.00 63.06 2e9k s PRO 117 Cb -0.11 -3.96 -0.12 0.00 0.04 0.00 0.00 34.50 30.36 2e9k s PRO 117 CO 0.30 -0.98 1.71 -0.51 0.04 0.00 0.00 177.00 177.56 2e9k s LEU 118 N 4.35 4.37 -0.30 -3.56 1.02 -1.26 -4.98 118.68 118.32 2e9k s LEU 118 Ca 0.69 2.86 -0.06 0.00 0.02 0.00 0.00 54.13 57.63 2e9k s LEU 118 Cb -0.28 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.35 2e9k s LEU 118 CO 0.26 -0.97 0.07 -0.60 0.02 0.00 0.00 176.35 175.14 2e9k s ARG 119 N 1.15 2.95 0.38 1.70 3.52 -1.26 -5.09 118.95 122.30 2e9k s ARG 119 Ca 0.74 -0.95 -0.26 0.00 -0.13 0.00 0.00 55.73 55.13 2e9k s ARG 119 Cb -0.49 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.45 2e9k s ARG 119 CO 0.32 -0.49 1.20 -1.25 -0.81 0.00 0.00 175.30 174.27 2e9k s PRO 120 N 1.46 4.15 0.00 5.12 0.04 -1.26 -5.33 135.00 139.18 2e9k s PRO 120 Ca 0.01 1.93 0.32 0.00 0.04 0.00 0.00 61.00 63.30 2e9k s PRO 120 Cb -0.18 -2.80 1.84 0.00 0.04 0.00 0.00 34.50 33.41 2e9k s PRO 120 CO 0.02 -0.27 2.19 1.55 0.04 0.00 0.00 177.00 180.53