#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 1.41 -4.85 1.61 2.88 -1.26 -4.91 113.62 108.51 2e9k n SER 2 Ca 0.00 1.13 -0.34 0.00 -1.33 0.00 0.00 58.87 58.33 2e9k n SER 2 Cb 0.00 -1.03 -0.06 0.00 -0.75 0.00 0.00 64.21 62.38 2e9k n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e9k s SER 3 N 2.10 6.82 0.05 -3.46 1.04 -1.26 -5.07 113.70 113.92 2e9k s SER 3 Ca 0.96 1.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.52 2e9k s SER 3 Cb -1.22 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 62.60 2e9k s SER 3 CO 0.65 0.01 0.09 0.61 0.98 0.00 0.00 173.24 175.58 2e9k n GLY 4 N 0.42 2.04 3.60 7.32 0.00 -1.26 -5.10 105.19 112.21 2e9k n GLY 4 Ca -0.02 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2e9k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9k s SER 5 N -1.25 5.59 0.31 1.61 1.04 -1.26 -4.93 113.70 114.81 2e9k s SER 5 Ca 0.02 1.71 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 2e9k s SER 5 Cb -0.01 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.50 2e9k s SER 5 CO 0.02 -1.88 1.28 -0.55 0.98 0.00 0.00 173.24 173.08 2e9k s SER 6 N 7.58 6.86 0.00 7.02 0.15 -1.26 -5.01 113.70 129.05 2e9k s SER 6 Ca 0.94 2.60 0.00 0.00 0.70 0.00 0.00 55.95 60.19 2e9k s SER 6 Cb -0.30 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2e9k s SER 6 CO 0.35 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2e9k n GLY 7 N 1.02 0.83 3.83 9.45 0.00 -1.26 -5.10 105.19 113.95 2e9k n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2e9k n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2e9k s ASP 8 N -0.06 3.91 0.21 1.61 -4.77 -1.26 -5.08 116.67 111.22 2e9k s ASP 8 Ca 0.00 0.91 0.10 0.00 -3.30 0.00 0.00 52.55 50.26 2e9k s ASP 8 Cb 0.00 -1.46 -0.04 0.00 -1.09 0.00 0.00 42.92 40.32 2e9k s ASP 8 CO 0.00 -2.30 -0.11 -0.63 0.70 0.00 0.00 175.17 172.83 2e9k s ILE 9 N -3.38 3.02 -0.02 2.11 -1.09 -1.26 -5.05 121.20 115.53 2e9k s ILE 9 Ca 0.63 -1.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.19 2e9k s ILE 9 Cb -0.13 -2.53 -0.00 0.00 -1.58 0.00 0.00 42.46 38.22 2e9k s ILE 9 CO 0.52 -0.19 -0.01 0.03 -1.23 0.00 0.00 174.94 174.05 2e9k h ARG 10 N 2.69 0.00 0.07 2.79 2.47 -1.98 -3.28 114.38 117.15 2e9k h ARG 10 Ca -0.45 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2e9k h ARG 10 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2e9k h ARG 10 CO 0.55 0.00 -0.04 -1.00 0.56 0.00 0.00 179.97 180.04 2e9k h PRO 11 N -0.17 -0.10 -0.52 0.04 0.13 -1.98 -1.48 132.00 127.92 2e9k h PRO 11 Ca 0.00 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 2e9k h PRO 11 Cb 0.04 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.13 2e9k h PRO 11 CO 0.00 0.35 0.19 1.03 -0.23 0.00 0.00 178.00 179.34 2e9k h SER 12 N -0.59 0.20 -0.22 1.44 0.87 -2.01 -0.68 113.55 112.55 2e9k h SER 12 Ca -0.01 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2e9k h SER 12 Cb 0.50 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2e9k h SER 12 CO 0.02 0.14 0.04 0.50 -0.53 0.00 0.00 176.83 176.99 2e9k h LYS 13 N 0.37 0.37 -0.41 2.24 1.63 -1.62 -3.11 116.57 116.05 2e9k h LYS 13 Ca 0.25 -0.10 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 2e9k h LYS 13 Cb 0.27 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 2e9k h LYS 13 CO -0.25 0.51 0.03 1.25 -3.45 0.00 0.00 179.45 177.54 2e9k h LEU 14 N 0.17 -0.11 -0.92 5.20 5.85 -0.75 -1.94 115.31 122.81 2e9k h LEU 14 Ca 0.07 0.09 0.23 0.00 0.84 0.00 0.00 57.88 59.10 2e9k h LEU 14 Cb 0.32 0.14 -0.17 0.00 0.37 0.00 0.00 40.66 41.33 2e9k h LEU 14 CO 0.00 -0.02 -0.02 0.25 -0.34 0.00 0.00 178.44 178.31 2e9k h LEU 15 N 0.14 -0.51 -0.63 2.25 5.85 -1.07 0.51 115.31 121.85 2e9k h LEU 15 Ca 0.20 0.26 0.10 0.00 0.84 0.00 0.00 57.88 59.27 2e9k h LEU 15 Cb 0.27 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 2e9k h LEU 15 CO -0.31 -0.29 -0.42 0.74 -0.34 0.00 0.00 178.44 177.81 2e9k h THR 16 N 0.04 0.09 -0.34 1.05 2.02 -1.40 0.48 112.91 114.85 2e9k h THR 16 Ca 0.52 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.77 2e9k h THR 16 Cb 0.99 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.40 2e9k h THR 16 CO -0.86 0.00 -0.38 -0.25 0.37 0.00 0.00 175.52 174.40 2e9k h TRP 17 N -0.19 -1.08 -0.14 3.16 7.01 -0.98 -1.05 115.95 122.68 2e9k h TRP 17 Ca 0.20 0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.31 2e9k h TRP 17 Cb 0.56 0.52 -0.05 0.00 -2.10 0.00 0.00 29.16 28.09 2e9k h TRP 17 CO -0.73 -0.42 -0.20 0.00 -2.79 0.00 0.00 178.44 174.30 2e9k h GLN 19 N -0.25 0.14 0.13 0.00 4.20 -0.12 0.07 115.11 119.28 2e9k h GLN 19 Ca 0.10 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2e9k h GLN 19 Cb 0.40 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2e9k h GLN 19 CO -0.28 0.09 -0.19 1.96 -0.67 0.00 0.00 178.83 179.74 2e9k h GLN 20 N 0.15 -0.36 -0.94 1.46 1.08 -0.48 -2.15 115.11 113.85 2e9k h GLN 20 Ca 0.38 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.71 2e9k h GLN 20 Cb 0.64 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 28.08 2e9k h GLN 20 CO -0.57 -0.24 0.60 1.96 -0.95 0.00 0.00 178.83 179.63 2e9k h GLN 21 N -0.38 0.91 -1.13 1.46 1.08 -0.58 -0.31 115.11 116.17 2e9k h GLN 21 Ca 0.02 -0.05 -0.37 0.00 -1.45 0.00 0.00 58.65 56.80 2e9k h GLN 21 Cb 0.38 -0.21 -0.19 0.00 -0.05 0.00 0.00 27.48 27.41 2e9k h GLN 21 CO -0.08 0.60 0.47 0.25 -0.95 0.00 0.00 178.83 179.12 2e9k n THR 22 N -4.56 2.63 -3.17 -0.54 -2.24 -0.11 -4.76 114.28 101.54 2e9k n THR 22 Ca 0.17 -1.51 -0.39 0.00 -2.27 0.00 0.00 64.05 60.04 2e9k n THR 22 Cb 0.32 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.61 2e9k n THR 22 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2e9k s GLU 23 N -2.22 4.25 0.00 -0.78 2.12 -0.13 -4.10 118.70 117.85 2e9k s GLU 23 Ca 0.38 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2e9k s GLU 23 Cb 0.31 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2e9k s GLU 23 CO 0.04 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2e9k n GLY 24 N 3.66 3.08 2.79 -1.50 0.00 -1.26 -5.05 105.19 106.91 2e9k n GLY 24 Ca -0.03 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 2e9k n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2e9k n TYR 25 N 0.00 -2.63 -3.66 1.61 4.01 -1.26 -4.92 117.16 110.32 2e9k n TYR 25 Ca 0.00 0.37 -0.36 0.00 -0.16 0.00 0.00 57.90 57.75 2e9k n TYR 25 Cb 0.00 -1.44 -0.06 0.00 -0.31 0.00 0.00 39.34 37.53 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 -0.92 3.70 -1.61 -0.72 -0.21 -1.26 -4.18 119.66 114.45 2e9k s GLN 26 Ca 0.48 0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.98 2e9k s GLN 26 Cb -0.41 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.48 2e9k s GLN 26 CO 0.58 0.66 0.00 0.72 -2.12 0.00 0.00 175.29 175.13 2e9k n HIS 27 N 1.40 -1.05 -3.84 0.91 8.25 -1.26 -4.94 115.22 114.70 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 0.53 -3.61 -0.14 0.00 1.12 0.00 0.00 29.99 27.89 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 -2.90 1.84 -0.55 1.59 1.01 -1.26 -5.06 120.40 115.08 2e9k s VAL 28 Ca 0.00 -2.61 -0.08 0.00 0.00 0.00 0.00 61.98 59.30 2e9k s VAL 28 Cb 0.00 -2.31 0.14 0.00 0.00 0.00 0.00 36.38 34.21 2e9k s VAL 28 CO 0.00 -0.79 0.41 0.21 0.00 0.00 0.00 175.10 174.93 2e9k s ASN 29 N 0.41 5.68 -0.50 3.32 3.04 -1.26 -4.88 114.94 120.75 2e9k s ASN 29 Ca 0.15 -2.26 -0.25 0.00 0.04 0.00 0.00 52.86 50.54 2e9k s ASN 29 Cb -0.23 -1.98 0.03 0.00 -1.54 0.00 0.00 41.25 37.53 2e9k s ASN 29 CO -0.04 -0.58 0.93 -0.69 -3.04 0.00 0.00 177.10 173.68 2e9k s VAL 30 N 0.83 4.43 0.00 -5.21 1.01 -1.26 -4.79 120.40 115.41 2e9k s VAL 30 Ca 0.10 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2e9k s VAL 30 Cb -0.22 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.68 2e9k s VAL 30 CO -0.03 -0.95 0.00 0.35 0.00 0.00 0.00 175.10 174.47 2e9k n THR 31 N 6.33 0.00 -4.49 3.92 -2.24 -1.26 -4.96 114.28 111.59 2e9k n THR 31 Ca 0.04 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 2e9k n THR 31 Cb 0.48 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 2e9k n THR 31 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2e9k s ASP 32 N -2.72 2.74 -0.20 3.42 1.01 -1.26 -5.06 116.67 114.60 2e9k s ASP 32 Ca 0.00 -1.75 0.14 0.00 0.71 0.00 0.00 52.55 51.65 2e9k s ASP 32 Cb 0.00 0.61 0.42 0.00 1.01 0.00 0.00 42.92 44.96 2e9k s ASP 32 CO 0.00 -1.01 1.29 0.18 0.21 0.00 0.00 175.17 175.84 2e9k n LEU 33 N -0.91 3.15 0.00 1.23 4.77 -1.26 -4.13 117.00 119.84 2e9k n LEU 33 Ca -0.04 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 2e9k n LEU 33 Cb 0.64 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2e9k n LEU 33 CO 0.34 1.06 -0.23 0.35 -1.33 0.00 0.00 177.39 177.58 2e9k n THR 34 N -1.12 0.00 -0.03 -5.08 -2.24 -1.26 -4.70 114.28 99.85 2e9k n THR 34 Ca 0.22 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.84 2e9k n THR 34 Cb 0.80 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.30 1.65 0.30 4.28 -2.24 -1.26 -3.62 114.28 111.09 2e9k n THR 35 Ca 0.00 -0.70 0.17 0.00 -2.27 0.00 0.00 64.05 61.26 2e9k n THR 35 Cb 0.23 -1.38 0.92 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.03 0.00 -0.28 3.42 0.02 -1.89 -2.10 113.55 112.76 2e9k h SER 36 Ca -0.43 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.34 2e9k h SER 36 Cb 2.03 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 64.44 2e9k h SER 36 CO 0.05 0.04 -0.44 0.79 -1.14 0.00 0.00 176.83 176.13 2e9k n TRP 37 N -3.38 0.95 0.04 3.45 7.02 -1.26 -3.91 117.44 120.35 2e9k n TRP 37 Ca -0.02 -1.73 -0.22 0.00 -1.02 0.00 0.00 57.50 54.51 2e9k n TRP 37 Cb 0.17 -0.36 -0.14 0.00 -2.42 0.00 0.00 31.31 28.56 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 1.29 0.30 0.19 -0.99 0.11 -1.44 -3.38 114.38 110.47 2e9k h ARG 38 Ca 0.15 -0.52 -0.33 0.00 0.10 0.00 0.00 59.98 59.38 2e9k h ARG 38 Cb 1.27 0.19 0.02 0.00 1.11 0.00 0.00 29.97 32.56 2e9k h ARG 38 CO 0.30 1.25 -1.61 1.03 0.10 0.00 0.00 179.97 181.05 2e9k h SER 39 N -0.20 0.64 0.00 0.08 0.87 -1.84 -3.37 113.55 109.73 2e9k h SER 39 Ca -0.28 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 2e9k h SER 39 Cb 1.84 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2e9k h SER 39 CO 0.11 1.74 0.00 0.61 -0.53 0.00 0.00 176.83 178.76 2e9k n GLY 40 N 1.81 1.67 0.30 5.77 0.00 -1.26 -2.31 105.19 111.16 2e9k n GLY 40 Ca -0.23 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.10 -0.09 0.99 4.77 -1.26 -0.30 117.00 121.01 2e9k n LEU 41 Ca 0.00 1.48 -0.13 0.00 -0.03 0.00 0.00 56.01 57.34 2e9k n LEU 41 Cb 0.00 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.46 2e9k n LEU 41 CO 0.00 -1.50 0.50 0.00 -1.33 0.00 0.00 177.39 175.06 2e9k h ALA 42 N 1.75 -0.76 0.73 -1.18 0.00 -1.94 -0.72 119.26 117.13 2e9k h ALA 42 Ca 0.53 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 2e9k h ALA 42 Cb 1.09 1.04 0.01 0.00 0.00 0.00 0.00 17.79 19.93 2e9k h ALA 42 CO -0.82 -0.98 -0.35 1.25 0.00 0.00 0.00 179.25 178.35 2e9k h LEU 43 N -0.40 -0.83 -1.66 0.00 5.85 -0.96 -2.76 115.31 114.55 2e9k h LEU 43 Ca 0.05 0.01 0.50 0.00 0.84 0.00 0.00 57.88 59.28 2e9k h LEU 43 Cb 0.54 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 2e9k h LEU 43 CO -0.48 -0.50 1.17 0.00 -0.34 0.00 0.00 178.44 178.28 2e9k h ALA 45 N 1.07 -0.15 -0.85 0.00 0.00 -0.82 0.94 119.26 119.45 2e9k h ALA 45 Ca 0.85 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.72 2e9k h ALA 45 Cb 3.22 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 20.99 2e9k h ALA 45 CO -0.13 -0.43 0.47 0.82 0.00 0.00 0.00 179.25 179.98 2e9k h ILE 46 N -0.44 0.84 0.25 0.00 2.04 0.84 0.03 117.51 121.07 2e9k h ILE 46 Ca -0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2e9k h ILE 46 Cb 0.36 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2e9k h ILE 46 CO 0.02 0.14 -0.12 0.40 0.00 0.00 0.00 178.15 178.59 2e9k h ILE 47 N 0.74 0.00 -0.94 -0.67 2.04 -1.42 -3.31 117.51 113.96 2e9k h ILE 47 Ca 0.43 -0.37 0.28 0.00 1.00 0.00 0.00 64.86 66.20 2e9k h ILE 47 Cb 0.49 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.41 2e9k h ILE 47 CO -0.29 0.00 0.17 -0.74 0.00 0.00 0.00 178.15 177.28 2e9k h HIS 48 N -0.71 0.21 -0.70 1.37 -0.00 -0.73 0.01 115.15 114.60 2e9k h HIS 48 Ca -0.03 0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 2e9k h HIS 48 Cb 0.26 0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 27.65 2e9k h HIS 48 CO 0.03 -0.36 -0.46 -0.09 -0.00 0.00 0.00 177.93 177.06 2e9k h ARG 49 N 0.08 -0.06 -0.11 5.26 9.65 -1.07 0.62 114.38 128.75 2e9k h ARG 49 Ca 0.61 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.45 2e9k h ARG 49 Cb 1.31 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 2e9k h ARG 49 CO -0.80 -0.04 -0.10 0.74 2.80 0.00 0.00 179.97 182.57 2e9k h PHE 50 N -0.06 0.31 -2.99 2.20 -1.00 -1.25 -3.40 116.94 110.76 2e9k h PHE 50 Ca 0.11 -0.09 -0.61 0.00 2.81 0.00 0.00 57.97 60.19 2e9k h PHE 50 Cb 0.35 -0.07 -0.40 0.00 3.61 0.00 0.00 35.95 39.45 2e9k h PHE 50 CO -0.95 0.67 -0.73 1.03 -1.61 0.00 0.00 178.31 176.72 2e9k s ARG 51 N -4.31 1.33 0.21 1.51 1.81 -0.16 -4.95 118.95 114.39 2e9k s ARG 51 Ca -0.15 -2.06 0.22 0.00 -1.72 0.00 0.00 55.73 52.03 2e9k s ARG 51 Cb 0.04 -2.37 0.91 0.00 -0.45 0.00 0.00 34.95 33.08 2e9k s ARG 51 CO 0.73 -1.17 1.66 -0.35 -0.68 0.00 0.00 175.30 175.50 2e9k n PRO 52 N 3.48 0.16 -0.08 3.54 -0.04 0.21 -2.82 135.00 139.45 2e9k n PRO 52 Ca 0.09 0.40 -0.14 0.00 -0.04 0.00 0.00 63.50 63.81 2e9k n PRO 52 Cb 0.35 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 0.87 -0.23 0.54 4.57 -1.93 -3.24 114.58 115.17 2e9k h GLU 53 Ca 0.00 -0.51 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 2e9k h GLU 53 Cb 0.34 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2e9k h GLU 53 CO 0.00 1.15 0.03 -0.07 -1.18 0.00 0.00 179.01 178.94 2e9k h LEU 54 N 0.68 0.37 -8.13 1.64 3.38 -1.90 -3.43 115.31 107.92 2e9k h LEU 54 Ca 0.03 -0.27 -0.59 0.00 0.09 0.00 0.00 57.88 57.14 2e9k h LEU 54 Cb 1.09 -0.10 -0.33 0.00 0.09 0.00 0.00 40.66 41.41 2e9k h LEU 54 CO 0.11 0.55 -0.84 -0.63 0.09 0.00 0.00 178.44 177.71 2e9k s ILE 55 N -5.13 1.54 -0.84 1.22 1.01 -1.22 -5.07 121.20 112.72 2e9k s ILE 55 Ca -0.14 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2e9k s ILE 55 Cb 0.07 -1.37 0.21 0.00 0.01 0.00 0.00 42.46 41.38 2e9k s ILE 55 CO 0.73 0.45 0.72 0.54 0.00 0.00 0.00 174.94 177.38 2e9k s ASN 56 N 0.57 6.02 0.29 3.58 6.03 -1.25 -4.56 114.94 125.62 2e9k s ASN 56 Ca -0.16 -3.36 -0.01 0.00 -1.03 0.00 0.00 52.86 48.30 2e9k s ASN 56 Cb -0.17 -1.96 0.65 0.00 -3.03 0.00 0.00 41.25 36.75 2e9k s ASN 56 CO 0.05 -0.29 1.58 0.15 -2.03 0.00 0.00 177.10 176.56 2e9k h PHE 57 N 6.56 -0.14 -0.91 1.54 3.04 -1.90 0.38 116.94 125.50 2e9k h PHE 57 Ca 0.11 0.07 0.30 0.00 3.98 0.00 0.00 57.97 62.43 2e9k h PHE 57 Cb 0.88 0.22 -0.17 0.00 2.56 0.00 0.00 35.95 39.44 2e9k h PHE 57 CO 0.76 -0.41 0.18 -0.25 -2.02 0.00 0.00 178.31 176.58 2e9k n ASP 58 N -5.50 0.04 0.01 0.41 8.00 -1.26 0.10 116.55 118.36 2e9k n ASP 58 Ca 0.20 1.54 -0.18 0.00 0.71 0.00 0.00 54.79 57.06 2e9k n ASP 58 Cb 0.67 -0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.35 -0.98 -2.24 0.87 -0.68 -3.44 113.55 107.43 2e9k h SER 59 Ca 0.63 -0.94 -0.58 0.00 -1.23 0.00 0.00 61.79 59.67 2e9k h SER 59 Cb 1.46 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 2e9k h SER 59 CO -0.81 1.26 1.55 0.18 -0.53 0.00 0.00 176.83 178.48 2e9k n LEU 60 N -4.27 1.78 -4.63 2.23 4.77 0.12 -4.92 117.00 112.07 2e9k n LEU 60 Ca -0.12 0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2e9k n LEU 60 Cb 0.71 -1.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.44 2e9k n LEU 60 CO 0.44 -0.94 -0.36 0.21 -1.33 0.00 0.00 177.39 175.41 2e9k s ASN 61 N 8.90 4.79 0.19 -1.43 2.47 -1.26 -4.90 114.94 123.70 2e9k s ASN 61 Ca 1.12 -0.16 -0.25 0.00 0.42 0.00 0.00 52.86 54.00 2e9k s ASN 61 Cb -0.78 -1.13 0.07 0.00 -1.45 0.00 0.00 41.25 37.97 2e9k s ASN 61 CO 0.43 0.24 1.54 1.21 -3.72 0.00 0.00 177.10 176.81 2e9k n GLU 62 N 1.18 -0.34 -0.29 0.43 4.07 -1.26 0.17 120.64 124.60 2e9k n GLU 62 Ca -0.14 1.52 0.27 0.00 -0.06 0.00 0.00 57.16 58.75 2e9k n GLU 62 Cb 0.52 -2.25 0.61 0.00 -0.06 0.00 0.00 31.44 30.27 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2e9k h ASP 63 N 0.00 0.25 -0.33 4.31 3.58 -1.99 -0.78 116.42 121.46 2e9k h ASP 63 Ca 0.25 0.04 -0.24 0.00 0.42 0.00 0.00 57.03 57.50 2e9k h ASP 63 Cb 0.50 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.46 2e9k h ASP 63 CO -0.96 0.06 0.02 0.47 -2.88 0.00 0.00 179.24 175.94 2e9k n ASP 64 N -4.44 5.77 0.26 2.28 8.00 0.46 -4.58 116.55 124.30 2e9k n ASP 64 Ca 0.24 -2.74 -0.10 0.00 0.71 0.00 0.00 54.79 52.90 2e9k n ASP 64 Cb 0.97 -1.25 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 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 2.29 -1.06 -0.98 2.24 0.00 -1.21 0.91 119.26 121.45 2e9k h ALA 65 Ca 0.21 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2e9k h ALA 65 Cb 1.11 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 2e9k h ALA 65 CO 0.42 -1.01 -0.29 0.28 0.00 0.00 0.00 179.25 178.65 2e9k n VAL 66 N -3.97 -0.45 -0.11 0.00 0.31 -1.26 0.31 118.33 113.17 2e9k n VAL 66 Ca -0.08 2.26 -0.10 0.00 -0.01 0.00 0.00 64.34 66.40 2e9k n VAL 66 Cb 0.26 -3.07 -0.02 0.00 -0.91 0.00 0.00 33.84 30.10 2e9k n VAL 66 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2e9k h GLU 67 N 0.00 0.54 0.03 5.55 5.08 -1.90 -2.05 114.58 121.82 2e9k h GLU 67 Ca 0.42 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2e9k h GLU 67 Cb 0.67 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2e9k h GLU 67 CO -0.99 0.61 -0.39 -0.91 -1.00 0.00 0.00 179.01 176.33 2e9k h ASN 68 N 0.38 -1.16 0.60 1.42 2.35 0.25 0.23 115.58 119.64 2e9k h ASN 68 Ca 0.10 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2e9k h ASN 68 Cb 0.32 0.45 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2e9k h ASN 68 CO 0.00 -0.44 -0.44 0.78 -1.65 0.00 0.00 177.43 175.68 2e9k h ASN 69 N -0.56 -1.16 -0.89 5.81 2.35 -0.53 -2.22 115.58 118.38 2e9k h ASN 69 Ca 0.05 0.08 0.23 0.00 -0.55 0.00 0.00 56.30 56.11 2e9k h ASN 69 Cb 0.63 0.36 -0.13 0.00 0.05 0.00 0.00 38.32 39.22 2e9k h ASN 69 CO -0.28 -0.64 0.34 -0.61 -1.65 0.00 0.00 177.43 174.59 2e9k h GLN 70 N -1.00 0.30 0.19 0.81 -0.00 -1.24 -1.41 115.11 112.76 2e9k h GLN 70 Ca -0.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2e9k h GLN 70 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.23 2e9k h GLN 70 CO 0.03 0.20 -0.19 1.25 0.00 0.00 0.00 178.83 180.12 2e9k h LEU 71 N 0.31 -0.52 -0.76 -2.39 5.85 -0.17 0.13 115.31 117.77 2e9k h LEU 71 Ca 0.57 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.50 2e9k h LEU 71 Cb 1.13 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 2e9k h LEU 71 CO -0.58 -0.25 -0.04 0.00 -0.34 0.00 0.00 178.44 177.22 2e9k h ALA 72 N -1.43 0.72 -0.47 1.25 0.00 -0.80 0.21 119.26 118.74 2e9k h ALA 72 Ca -0.02 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2e9k h ALA 72 Cb 0.33 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2e9k h ALA 72 CO -0.02 -0.43 0.26 0.74 0.00 0.00 0.00 179.25 179.79 2e9k h PHE 73 N 0.07 0.47 0.70 0.00 0.04 -1.04 0.72 116.94 117.91 2e9k h PHE 73 Ca 0.41 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.16 2e9k h PHE 73 Cb 0.70 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.71 2e9k h PHE 73 CO -0.47 0.25 -0.34 0.22 -0.60 0.00 0.00 178.31 177.38 2e9k h ASP 74 N 0.51 -0.80 -0.80 2.17 3.58 0.20 0.13 116.42 121.40 2e9k h ASP 74 Ca 0.20 -0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.82 2e9k h ASP 74 Cb 0.08 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 2e9k h ASP 74 CO -0.12 -0.48 0.54 0.58 -2.88 0.00 0.00 179.24 176.88 2e9k h VAL 75 N -1.10 0.75 -0.02 2.25 2.07 -0.64 0.31 116.25 119.87 2e9k h VAL 75 Ca -0.10 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 67.07 2e9k h VAL 75 Cb 0.75 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2e9k h VAL 75 CO 0.16 0.07 -0.92 0.00 0.02 0.00 0.00 177.57 176.90 2e9k h ALA 76 N 1.63 0.37 0.00 1.67 0.00 -0.66 0.21 119.26 122.48 2e9k h ALA 76 Ca 0.40 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2e9k h ALA 76 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2e9k h ALA 76 CO -0.13 0.79 -0.01 -1.91 0.00 0.00 0.00 179.25 177.99 2e9k n GLU 77 N -3.77 0.16 -0.13 0.00 2.13 0.43 0.50 120.64 119.94 2e9k n GLU 77 Ca -0.07 0.12 -0.27 0.00 0.66 0.00 0.00 57.16 57.61 2e9k n GLU 77 Cb 0.82 -1.68 -0.10 0.00 0.27 0.00 0.00 31.44 30.75 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 -1.95 0.57 -0.06 5.31 5.12 0.90 -3.49 116.66 123.05 2e9k n ARG 78 Ca 0.06 0.23 -0.07 0.00 -1.93 0.00 0.00 57.85 56.14 2e9k n ARG 78 Cb 0.39 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.19 2e9k n ARG 78 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e9k h GLU 79 N -0.79 0.00 0.00 5.56 3.07 -0.70 -3.36 114.58 118.36 2e9k h GLU 79 Ca -0.65 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.19 2e9k h GLU 79 Cb 1.63 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.54 2e9k h GLU 79 CO -0.35 0.45 -0.35 0.74 -1.40 0.00 0.00 179.01 178.10 2e9k h PHE 80 N -1.00 0.00 -2.78 4.33 0.04 -1.34 -3.48 116.94 112.71 2e9k h PHE 80 Ca -0.02 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.52 2e9k h PHE 80 Cb 0.49 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.68 2e9k h PHE 80 CO 0.10 0.08 -0.35 0.41 -0.60 0.00 0.00 178.31 177.96 2e9k n GLY 81 N 1.15 0.01 3.45 -1.45 0.00 0.18 -4.93 105.19 103.59 2e9k n GLY 81 Ca 0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.91 4.03 0.03 -0.61 1.01 -0.64 -4.89 121.20 117.22 2e9k s ILE 82 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 2e9k s ILE 82 Cb -0.08 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 2e9k s ILE 82 CO 0.22 0.42 1.43 -2.16 0.00 0.00 0.00 174.94 174.84 2e9k s PRO 83 N 1.06 4.28 0.17 2.79 0.04 -1.26 -3.29 135.00 138.78 2e9k s PRO 83 Ca 0.02 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2e9k s PRO 83 Cb -0.14 -3.52 -0.08 0.00 0.04 0.00 0.00 34.50 30.80 2e9k s PRO 83 CO 0.02 -0.57 1.32 -1.25 0.04 0.00 0.00 177.00 176.57 2e9k s PRO 84 N 2.19 4.37 0.38 0.56 0.04 -1.26 -4.93 135.00 136.35 2e9k s PRO 84 Ca 0.65 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.89 2e9k s PRO 84 Cb -0.33 -3.22 0.74 0.00 0.04 0.00 0.00 34.50 31.73 2e9k s PRO 84 CO 0.28 -0.30 1.80 -0.39 0.04 0.00 0.00 177.00 178.43 2e9k h VAL 85 N 3.93 1.13 -3.96 -0.36 -1.51 -1.95 -3.45 116.25 110.09 2e9k h VAL 85 Ca -0.44 -1.37 -0.20 0.00 -1.23 0.00 0.00 66.70 63.47 2e9k h VAL 85 Cb 1.21 1.77 -0.15 0.00 -2.13 0.00 0.00 31.29 31.99 2e9k h VAL 85 CO 0.80 0.37 -0.69 0.28 -1.23 0.00 0.00 177.57 177.10 2e9k s THR 86 N -3.98 0.54 -0.01 7.19 -1.32 -1.26 -5.15 115.64 111.64 2e9k s THR 86 Ca -0.02 -1.90 -0.14 0.00 -1.21 0.00 0.00 61.69 58.42 2e9k s THR 86 Cb 0.13 -1.68 -0.05 0.00 -1.51 0.00 0.00 72.50 69.39 2e9k s THR 86 CO 0.71 -0.87 0.38 0.42 -2.21 0.00 0.00 174.62 173.04 2e9k s THR 87 N -3.73 5.08 0.20 5.08 -4.23 -1.26 -4.90 115.64 111.89 2e9k s THR 87 Ca 0.12 0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 61.32 2e9k s THR 87 Cb 0.06 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.54 2e9k s THR 87 CO -0.06 0.58 1.18 0.61 -0.54 0.00 0.00 174.62 176.40 2e9k n GLY 88 N 1.84 -1.34 0.23 3.99 0.00 -1.26 -0.40 105.19 108.25 2e9k n GLY 88 Ca -0.15 0.82 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.41 -0.71 1.61 1.57 -1.94 -1.94 116.57 114.75 2e9k h LYS 89 Ca 0.34 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.30 2e9k h LYS 89 Cb 0.53 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 2e9k h LYS 89 CO -0.78 -0.27 0.18 1.49 -0.57 0.00 0.00 179.45 179.50 2e9k h GLU 90 N -0.43 0.28 -0.81 3.15 4.57 -1.34 0.30 114.58 120.30 2e9k h GLU 90 Ca -0.02 -0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.33 2e9k h GLU 90 Cb 0.39 -0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.80 2e9k h GLU 90 CO -0.07 0.19 0.28 1.98 -1.18 0.00 0.00 179.01 180.20 2e9k h MET 91 N 0.29 0.33 0.18 1.92 4.05 -0.37 -0.80 114.93 120.53 2e9k h MET 91 Ca 0.40 -0.02 -0.30 0.00 -0.28 0.00 0.00 59.70 59.49 2e9k h MET 91 Cb 0.65 -0.08 0.02 0.00 -0.80 0.00 0.00 31.60 31.40 2e9k h MET 91 CO -0.48 0.22 -1.34 0.00 0.23 0.00 0.00 176.91 175.55 2e9k h ALA 92 N 1.65 -0.02 -0.12 0.39 0.00 -0.22 -3.37 119.26 117.57 2e9k h ALA 92 Ca 0.48 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2e9k h ALA 92 Cb 0.85 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2e9k h ALA 92 CO -0.51 0.83 -0.23 0.77 0.00 0.00 0.00 179.25 180.11 2e9k h SER 93 N 0.12 -0.74 -3.18 0.00 0.02 0.95 -3.35 113.55 107.37 2e9k h SER 93 Ca -0.19 0.09 -0.56 0.00 -0.84 0.00 0.00 61.79 60.29 2e9k h SER 93 Cb 2.05 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 64.83 2e9k h SER 93 CO 0.24 -0.18 1.07 0.00 -1.14 0.00 0.00 176.83 176.82 2e9k s ALA 94 N -4.47 2.98 0.17 3.77 0.00 -0.88 -4.91 121.76 118.41 2e9k s ALA 94 Ca -0.06 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 2e9k s ALA 94 Cb 0.03 -3.99 0.03 0.00 0.00 0.00 0.00 23.12 19.20 2e9k s ALA 94 CO 0.25 -2.55 1.56 -0.56 0.00 0.00 0.00 175.76 174.46 2e9k h GLN 95 N 10.75 -0.18 -4.61 0.00 3.07 -1.85 -3.33 115.11 118.95 2e9k h GLN 95 Ca -0.27 0.01 -0.70 0.00 0.09 0.00 0.00 58.65 57.78 2e9k h GLN 95 Cb 1.10 0.04 -0.28 0.00 0.08 0.00 0.00 27.48 28.42 2e9k h GLN 95 CO 1.12 -0.12 -0.56 -1.21 0.09 0.00 0.00 178.83 178.15 2e9k s GLU 96 N -5.79 2.65 0.00 0.06 8.01 -1.26 -4.77 118.70 117.60 2e9k s GLU 96 Ca -0.14 -1.22 0.00 0.00 0.01 0.00 0.00 54.97 53.62 2e9k s GLU 96 Cb 0.13 -3.58 0.00 0.00 -4.31 0.00 0.00 34.13 26.37 2e9k s GLU 96 CO 0.66 -0.73 0.00 -0.35 0.01 0.00 0.00 175.26 174.85 2e9k n PRO 97 N 4.87 -0.73 -2.95 0.39 -0.04 -1.25 -4.95 135.00 130.34 2e9k n PRO 97 Ca -0.12 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.91 2e9k n PRO 97 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.52 6.18 0.26 3.54 1.01 -1.26 -4.91 116.67 119.98 2e9k s ASP 98 Ca 0.00 -1.13 0.11 0.00 0.71 0.00 0.00 52.55 52.25 2e9k s ASP 98 Cb 0.00 -2.38 0.87 0.00 1.01 0.00 0.00 42.92 42.42 2e9k s ASP 98 CO 0.00 -1.32 1.16 1.17 0.21 0.00 0.00 175.17 176.40 2e9k n LYS 99 N 7.20 -0.05 0.19 8.23 4.81 -1.26 0.70 118.16 137.98 2e9k n LYS 99 Ca -0.06 1.04 -0.13 0.00 -0.87 0.00 0.00 58.31 58.30 2e9k n LYS 99 Cb 0.44 -1.81 -0.07 0.00 0.02 0.00 0.00 35.03 33.61 2e9k n LYS 99 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2e9k h LEU 100 N 0.00 -0.43 -1.19 3.14 4.07 -1.93 -1.77 115.31 117.20 2e9k h LEU 100 Ca 0.57 -0.13 0.25 0.00 0.08 0.00 0.00 57.88 58.65 2e9k h LEU 100 Cb 1.44 0.11 -0.11 0.00 1.08 0.00 0.00 40.66 43.19 2e9k h LEU 100 CO -0.60 -0.04 0.63 -1.28 -1.08 0.00 0.00 178.44 176.07 2e9k h SER 101 N -0.92 0.58 0.05 -0.43 0.87 -0.13 0.25 113.55 113.82 2e9k h SER 101 Ca -0.05 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2e9k h SER 101 Cb 0.54 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2e9k h SER 101 CO 0.09 0.12 -0.02 0.24 -0.53 0.00 0.00 176.83 176.73 2e9k h MET 102 N 0.51 -0.06 0.35 2.24 2.86 -0.99 -2.35 114.93 117.49 2e9k h MET 102 Ca 0.61 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.24 2e9k h MET 102 Cb 1.31 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 2e9k h MET 102 CO -0.37 0.38 -0.20 0.28 1.06 0.00 0.00 176.91 178.06 2e9k h VAL 103 N -0.52 0.59 -1.00 -2.22 2.07 -0.22 0.52 116.25 115.47 2e9k h VAL 103 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2e9k h VAL 103 Cb 0.46 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 2e9k h VAL 103 CO 0.01 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.21 2e9k h MET 104 N -0.52 0.81 -0.06 1.57 -0.00 -0.66 -0.63 114.93 115.45 2e9k h MET 104 Ca -0.04 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.70 59.59 2e9k h MET 104 Cb 0.42 -0.18 -0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2e9k h MET 104 CO 0.05 0.54 -0.04 -0.92 -0.00 0.00 0.00 176.91 176.54 2e9k h TYR 105 N 0.83 0.15 -0.77 -0.10 3.20 -1.03 -3.18 116.97 116.07 2e9k h TYR 105 Ca 0.55 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.48 2e9k h TYR 105 Cb 0.75 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 2e9k h TYR 105 CO -0.01 0.53 0.39 -0.07 -1.64 0.00 0.00 178.16 177.36 2e9k h LEU 106 N -0.28 0.51 -0.95 2.82 3.38 0.00 -2.17 115.31 118.62 2e9k h LEU 106 Ca 0.01 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.23 2e9k h LEU 106 Cb 0.50 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.05 2e9k h LEU 106 CO 0.01 0.27 -0.26 0.77 0.09 0.00 0.00 178.44 179.32 2e9k h SER 107 N 0.64 -0.95 -0.54 -0.43 4.64 -1.13 0.47 113.55 116.24 2e9k h SER 107 Ca 0.39 0.29 0.11 0.00 -0.47 0.00 0.00 61.79 62.10 2e9k h SER 107 Cb 0.44 0.61 -0.10 0.00 -0.31 0.00 0.00 62.40 63.04 2e9k h SER 107 CO -0.29 -0.31 -0.13 0.11 -0.87 0.00 0.00 176.83 175.33 2e9k h LYS 108 N -0.00 0.00 0.13 4.77 1.57 -1.50 0.11 116.57 121.66 2e9k h LYS 108 Ca 0.44 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2e9k h LYS 108 Cb 0.68 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2e9k h LYS 108 CO -0.98 0.00 -0.06 0.74 -0.57 0.00 0.00 179.45 178.58 2e9k h PHE 109 N 0.00 -0.16 -0.49 -1.35 0.04 -0.34 -0.52 116.94 114.12 2e9k h PHE 109 Ca 0.26 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.12 2e9k h PHE 109 Cb 0.40 0.05 -0.10 0.00 2.20 0.00 0.00 35.95 38.50 2e9k h PHE 109 CO -0.45 0.22 -0.33 -0.92 -0.60 0.00 0.00 178.31 176.23 2e9k h TYR 110 N -0.59 -0.90 -0.35 -0.55 3.20 -0.08 -1.10 116.97 116.60 2e9k h TYR 110 Ca -0.02 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2e9k h TYR 110 Cb 0.46 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2e9k h TYR 110 CO 0.05 -0.38 0.06 0.93 -1.64 0.00 0.00 178.16 177.18 2e9k h GLU 111 N -0.21 0.58 -0.58 1.82 4.39 -0.84 -1.51 114.58 118.23 2e9k h GLU 111 Ca 0.20 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.81 2e9k h GLU 111 Cb 0.54 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.03 2e9k h GLU 111 CO -0.60 0.65 -0.53 1.25 -1.16 0.00 0.00 179.01 178.61 2e9k h LEU 112 N 0.42 -1.84 -0.03 1.33 5.85 0.12 0.72 115.31 121.88 2e9k h LEU 112 Ca 0.11 0.26 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2e9k h LEU 112 Cb 0.35 0.79 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2e9k h LEU 112 CO 0.01 -0.35 0.00 -0.26 -0.34 0.00 0.00 178.44 177.50 2e9k h PHE 113 N -0.27 0.05 -0.87 1.25 -1.00 -1.31 -3.12 116.94 111.67 2e9k h PHE 113 Ca 0.12 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 61.08 2e9k h PHE 113 Cb 0.55 -0.01 -0.16 0.00 3.61 0.00 0.00 35.95 39.94 2e9k h PHE 113 CO -0.79 0.30 -0.16 -0.09 -1.61 0.00 0.00 178.31 175.96 2e9k h ARG 114 N -0.21 0.01 0.00 1.51 2.43 -0.47 -3.45 114.38 114.21 2e9k h ARG 114 Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2e9k h ARG 114 Cb 0.27 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2e9k h ARG 114 CO 0.00 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 2e9k n GLY 115 N -1.53 4.04 3.77 2.80 0.00 0.17 -5.09 105.19 109.36 2e9k n GLY 115 Ca 0.14 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.93 2.75 1.20 2.61 -4.23 -1.26 -4.67 115.64 111.11 2e9k s THR 116 Ca 0.00 0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 60.95 2e9k s THR 116 Cb 0.00 -3.36 0.29 0.00 1.34 0.00 0.00 72.50 70.77 2e9k s THR 116 CO 0.00 0.06 1.11 -2.16 -0.54 0.00 0.00 174.62 173.09 2e9k s PRO 117 N -2.40 -1.22 0.45 3.99 0.04 -1.26 -4.94 135.00 129.66 2e9k s PRO 117 Ca 0.60 -0.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.36 2e9k s PRO 117 Cb -0.35 -1.60 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 2e9k s PRO 117 CO 0.44 -3.71 0.32 1.47 0.04 0.00 0.00 177.00 175.56 2e9k n LEU 118 N -4.76 -1.18 -3.72 -3.56 -0.00 -1.26 -5.00 117.00 97.52 2e9k n LEU 118 Ca 0.13 0.82 -0.12 0.00 -0.00 0.00 0.00 56.01 56.84 2e9k n LEU 118 Cb 0.59 -1.02 -0.12 0.00 -0.00 0.00 0.00 43.42 42.87 2e9k n LEU 118 CO 0.45 -3.54 -0.08 -0.60 -0.00 0.00 0.00 177.39 173.62 2e9k s ARG 119 N -1.42 0.26 1.20 1.47 3.52 -1.26 -5.17 118.95 117.54 2e9k s ARG 119 Ca 0.62 0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 56.60 2e9k s ARG 119 Cb -0.57 -0.08 0.30 0.00 -1.56 0.00 0.00 34.95 33.04 2e9k s ARG 119 CO 0.60 -0.15 1.06 -0.35 -0.81 0.00 0.00 175.30 175.65 2e9k n PRO 120 N 4.14 -3.09 0.00 5.12 -0.04 -1.26 -5.30 135.00 134.57 2e9k n PRO 120 Ca -0.24 -1.70 0.02 0.00 -0.04 0.00 0.00 63.50 61.54 2e9k n PRO 120 Cb 0.54 -1.59 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2e9k n PRO 120 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74