#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k s SER 2 N 0.00 -0.02 -0.48 1.61 1.04 -1.26 -5.09 113.70 109.49 2e9k s SER 2 Ca 0.00 -1.07 -0.39 0.00 0.48 0.00 0.00 55.95 54.98 2e9k s SER 2 Cb 0.00 0.83 -0.16 0.00 0.10 0.00 0.00 66.02 66.79 2e9k s SER 2 CO 0.00 -1.63 2.22 -0.24 0.98 0.00 0.00 173.24 174.57 2e9k n SER 3 N -1.25 1.30 0.00 7.02 2.88 -1.26 -4.48 113.62 117.83 2e9k n SER 3 Ca -0.07 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2e9k n SER 3 Cb 0.60 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2e9k n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9k n GLY 4 N 6.99 2.53 3.44 0.46 0.00 -1.26 -5.06 105.19 112.29 2e9k n GLY 4 Ca 0.50 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9k s SER 5 N 0.00 6.27 -0.19 1.61 0.01 -1.26 -4.97 113.70 115.16 2e9k s SER 5 Ca 0.00 -1.26 -0.11 0.00 1.31 0.00 0.00 55.95 55.89 2e9k s SER 5 Cb 0.00 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 63.89 2e9k s SER 5 CO 0.00 -1.33 0.46 -0.94 0.41 0.00 0.00 173.24 171.84 2e9k s SER 6 N 3.68 -0.58 0.00 2.44 1.04 -1.26 -5.13 113.70 113.88 2e9k s SER 6 Ca 0.23 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2e9k s SER 6 Cb -0.15 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2e9k s SER 6 CO 0.06 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2e9k n GLY 7 N 4.08 0.20 3.46 7.32 0.00 -1.26 -5.00 105.19 114.00 2e9k n GLY 7 Ca -0.22 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.25 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 -4.00 4.98 0.25 1.61 1.01 -1.26 -5.10 116.67 114.15 2e9k s ASP 8 Ca 0.00 -0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.09 2e9k s ASP 8 Cb 0.00 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 2e9k s ASP 8 CO 0.00 0.05 0.42 -0.63 0.21 0.00 0.00 175.17 175.22 2e9k s ILE 9 N 1.10 5.20 -0.01 0.77 -1.09 -1.26 -5.07 121.20 120.83 2e9k s ILE 9 Ca 0.03 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2e9k s ILE 9 Cb -0.14 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2e9k s ILE 9 CO 0.02 -0.31 -0.01 0.03 -1.23 0.00 0.00 174.94 173.44 2e9k h ARG 10 N 1.48 0.00 0.12 2.79 2.47 -1.99 -3.34 114.38 115.91 2e9k h ARG 10 Ca -0.49 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2e9k h ARG 10 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2e9k h ARG 10 CO 0.65 0.00 -0.06 -1.00 0.56 0.00 0.00 179.97 180.12 2e9k h PRO 11 N -0.12 -0.16 -0.16 0.04 0.13 -1.98 -1.60 132.00 128.16 2e9k h PRO 11 Ca 0.00 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 2e9k h PRO 11 Cb 0.04 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.14 2e9k h PRO 11 CO 0.00 0.27 -0.50 1.03 -0.23 0.00 0.00 178.00 178.57 2e9k h SER 12 N -0.65 -1.59 0.13 1.44 0.87 -2.01 -1.05 113.55 110.69 2e9k h SER 12 Ca -0.02 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2e9k h SER 12 Cb 0.50 0.63 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2e9k h SER 12 CO 0.03 -0.46 -0.09 0.11 -0.53 0.00 0.00 176.83 175.89 2e9k h LYS 13 N -0.54 -0.22 -0.92 2.24 1.79 -1.69 -2.70 116.57 114.54 2e9k h LYS 13 Ca 0.05 0.01 0.25 0.00 -2.18 0.00 0.00 60.65 58.79 2e9k h LYS 13 Cb 0.66 0.05 -0.16 0.00 -1.58 0.00 0.00 32.23 31.20 2e9k h LYS 13 CO -0.44 -0.15 0.10 1.25 -1.08 0.00 0.00 179.45 179.13 2e9k h LEU 14 N -0.23 -0.30 -0.23 2.94 5.85 -0.80 0.30 115.31 122.84 2e9k h LEU 14 Ca -0.01 0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.00 2e9k h LEU 14 Cb 0.20 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2e9k h LEU 14 CO 0.00 -0.28 -0.03 0.25 -0.34 0.00 0.00 178.44 178.05 2e9k h LEU 15 N 0.08 -0.14 -0.45 2.25 5.85 -0.87 -2.59 115.31 119.44 2e9k h LEU 15 Ca 0.56 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.42 2e9k h LEU 15 Cb 1.15 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 2e9k h LEU 15 CO -0.80 -0.04 -0.34 0.74 -0.34 0.00 0.00 178.44 177.65 2e9k h THR 16 N 0.04 0.20 -0.07 1.05 2.02 -0.32 0.69 112.91 116.51 2e9k h THR 16 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2e9k h THR 16 Cb 0.15 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.70 2e9k h THR 16 CO -0.20 0.00 -0.37 -0.25 0.37 0.00 0.00 175.52 175.06 2e9k h TRP 17 N -0.24 -1.05 -0.42 3.16 7.01 -1.20 -0.97 115.95 122.24 2e9k h TRP 17 Ca 0.18 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.30 2e9k h TRP 17 Cb 0.55 0.47 -0.07 0.00 -2.10 0.00 0.00 29.16 28.01 2e9k h TRP 17 CO -0.57 -0.45 -0.05 0.00 -2.79 0.00 0.00 178.44 174.57 2e9k h GLN 19 N 0.05 -0.08 -0.19 0.00 4.20 -0.22 -0.36 115.11 118.51 2e9k h GLN 19 Ca 0.21 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.98 2e9k h GLN 19 Cb 0.31 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 2e9k h GLN 19 CO -0.39 -0.05 -0.29 1.96 -0.67 0.00 0.00 178.83 179.39 2e9k h GLN 20 N -0.08 -0.32 -1.01 1.46 4.20 -0.44 -0.79 115.11 118.14 2e9k h GLN 20 Ca 0.16 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.97 2e9k h GLN 20 Cb 0.33 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 2e9k h GLN 20 CO -0.37 -0.21 0.65 1.96 -0.67 0.00 0.00 178.83 180.18 2e9k h GLN 21 N -0.33 1.13 -1.02 1.46 1.08 -0.88 -0.64 115.11 115.90 2e9k h GLN 21 Ca 0.12 -0.07 -0.30 0.00 -1.45 0.00 0.00 58.65 56.95 2e9k h GLN 21 Cb 0.51 -0.25 -0.18 0.00 -0.05 0.00 0.00 27.48 27.51 2e9k h GLN 21 CO -0.38 0.74 0.39 0.25 -0.95 0.00 0.00 178.83 178.88 2e9k n THR 22 N -4.52 2.31 -3.07 -0.54 -2.24 -0.20 -4.80 114.28 101.22 2e9k n THR 22 Ca 0.16 -1.15 -0.40 0.00 -2.27 0.00 0.00 64.05 60.39 2e9k n THR 22 Cb 0.21 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.65 2e9k n THR 22 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2e9k s GLU 23 N -1.91 4.25 0.00 -0.78 2.12 -0.25 -4.06 118.70 118.07 2e9k s GLU 23 Ca 0.33 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.38 2e9k s GLU 23 Cb 0.28 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2e9k s GLU 23 CO 0.06 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 2e9k n GLY 24 N 3.67 3.10 2.43 -1.50 0.00 -1.26 -5.06 105.19 106.56 2e9k n GLY 24 Ca -0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.90 -3.13 1.61 4.02 -1.26 -4.89 117.16 111.62 2e9k n TYR 25 Ca 0.00 0.39 -0.35 0.00 -0.01 0.00 0.00 57.90 57.94 2e9k n TYR 25 Cb 0.00 -1.28 -0.06 0.00 -0.02 0.00 0.00 39.34 37.98 2e9k n TYR 25 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2e9k s GLN 26 N -0.74 4.15 -0.65 -0.72 -0.21 -1.26 -3.87 119.66 116.35 2e9k s GLN 26 Ca 0.43 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.59 2e9k s GLN 26 Cb -0.41 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 30.88 2e9k s GLN 26 CO 0.48 0.31 0.00 0.72 -2.12 0.00 0.00 175.29 174.68 2e9k n HIS 27 N 0.32 -1.57 -3.87 0.91 8.25 -1.26 -4.88 115.22 113.11 2e9k n HIS 27 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2e9k n HIS 27 Cb 0.52 -2.05 -0.14 0.00 1.12 0.00 0.00 29.99 29.43 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 -2.32 1.95 -0.47 1.59 1.01 -1.25 -5.06 120.40 115.85 2e9k s VAL 28 Ca 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 61.98 59.36 2e9k s VAL 28 Cb 0.00 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 34.11 2e9k s VAL 28 CO 0.00 -0.76 0.26 0.21 0.00 0.00 0.00 175.10 174.81 2e9k s ASN 29 N 0.44 5.12 -0.58 3.32 2.47 -1.26 -4.78 114.94 119.68 2e9k s ASN 29 Ca 0.15 -2.35 -0.26 0.00 0.42 0.00 0.00 52.86 50.82 2e9k s ASN 29 Cb -0.23 -1.80 0.04 0.00 -1.45 0.00 0.00 41.25 37.81 2e9k s ASN 29 CO -0.05 -0.45 1.08 -0.69 -3.72 0.00 0.00 177.10 173.26 2e9k s VAL 30 N 0.67 4.18 -0.04 -5.21 1.01 -1.26 -4.78 120.40 114.97 2e9k s VAL 30 Ca 0.12 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2e9k s VAL 30 Cb -0.22 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 2e9k s VAL 30 CO -0.04 -1.27 -0.00 0.35 0.00 0.00 0.00 175.10 174.14 2e9k n THR 31 N 6.42 0.26 -4.49 3.92 -2.24 -1.26 -4.85 114.28 112.03 2e9k n THR 31 Ca 0.05 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 2e9k n THR 31 Cb 0.48 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.82 2e9k n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2e9k n ASP 32 N -2.29 1.48 -0.69 3.42 9.92 -1.26 -5.07 116.55 122.06 2e9k n ASP 32 Ca -0.07 -3.01 0.04 0.00 -0.53 0.00 0.00 54.79 51.22 2e9k n ASP 32 Cb 0.61 0.87 0.20 0.00 -0.64 0.00 0.00 41.12 42.17 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2e9k n LEU 33 N 0.00 2.89 0.02 0.64 4.77 -1.26 -4.27 117.00 119.79 2e9k n LEU 33 Ca -0.07 -3.92 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 2e9k n LEU 33 Cb 0.57 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2e9k n LEU 33 CO 0.30 1.42 -0.25 0.35 -1.33 0.00 0.00 177.39 177.88 2e9k n THR 34 N -1.11 0.16 -0.02 -5.08 -2.24 -1.26 -4.78 114.28 99.95 2e9k n THR 34 Ca 0.21 0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.83 2e9k n THR 34 Cb 0.73 -1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.96 1.72 -0.23 4.28 -2.24 -1.26 -3.89 114.28 109.70 2e9k n THR 35 Ca 0.00 -0.62 0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2e9k n THR 35 Cb 0.25 -1.68 0.69 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.08 -0.65 3.42 0.02 -1.90 0.31 113.55 114.85 2e9k h SER 36 Ca -0.46 0.01 -0.43 0.00 -0.84 0.00 0.00 61.79 60.07 2e9k h SER 36 Cb 1.99 -0.00 -0.27 0.00 0.14 0.00 0.00 62.40 64.26 2e9k h SER 36 CO 0.04 0.02 -0.13 0.79 -1.14 0.00 0.00 176.83 176.42 2e9k n TRP 37 N -4.31 2.20 0.03 3.45 7.02 -1.26 -4.12 117.44 120.45 2e9k n TRP 37 Ca 0.21 -2.16 -0.15 0.00 -1.02 0.00 0.00 57.50 54.39 2e9k n TRP 37 Cb 0.99 -0.66 -0.14 0.00 -2.42 0.00 0.00 31.31 29.08 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 1.65 0.16 0.02 -0.99 0.11 -0.49 -3.39 114.38 111.45 2e9k h ARG 38 Ca 0.37 -0.28 -0.30 0.00 0.10 0.00 0.00 59.98 59.87 2e9k h ARG 38 Cb 1.45 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 32.60 2e9k h ARG 38 CO 0.80 0.95 -1.66 -1.13 0.10 0.00 0.00 179.97 179.03 2e9k n SER 39 N -3.33 1.93 0.00 0.08 3.41 -1.26 -3.54 113.62 110.90 2e9k n SER 39 Ca -0.19 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2e9k n SER 39 Cb 1.04 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2e9k n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9k n GLY 40 N 1.53 3.56 0.30 5.00 0.00 -1.26 -1.80 105.19 112.53 2e9k n GLY 40 Ca -0.37 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.06 2e9k n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e9k n LEU 41 N 0.00 -0.13 -0.10 0.99 4.77 -1.26 -0.73 117.00 120.54 2e9k n LEU 41 Ca 0.00 1.47 -0.06 0.00 -0.03 0.00 0.00 56.01 57.39 2e9k n LEU 41 Cb 0.00 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 2e9k n LEU 41 CO 0.00 -1.48 0.50 0.00 -1.33 0.00 0.00 177.39 175.08 2e9k h ALA 42 N 1.73 -0.44 0.76 -1.18 0.00 -1.95 0.40 119.26 118.58 2e9k h ALA 42 Ca 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2e9k h ALA 42 Cb 1.02 0.97 0.01 0.00 0.00 0.00 0.00 17.79 19.79 2e9k h ALA 42 CO -0.82 -0.58 -0.37 1.25 0.00 0.00 0.00 179.25 178.73 2e9k h LEU 43 N -0.13 -0.87 -0.89 0.00 5.85 -1.24 -2.72 115.31 115.32 2e9k h LEU 43 Ca 0.04 0.03 0.35 0.00 0.84 0.00 0.00 57.88 59.14 2e9k h LEU 43 Cb 0.25 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 41.34 2e9k h LEU 43 CO -0.31 -0.62 0.40 0.00 -0.34 0.00 0.00 178.44 177.57 2e9k h ALA 45 N 1.77 0.14 -0.06 0.00 0.00 -0.59 0.92 119.26 121.44 2e9k h ALA 45 Ca 0.72 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.67 2e9k h ALA 45 Cb 1.84 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 2e9k h ALA 45 CO -0.71 -0.41 -0.17 0.82 0.00 0.00 0.00 179.25 178.79 2e9k h ILE 46 N 0.11 0.58 0.07 0.00 2.04 0.10 0.13 117.51 120.54 2e9k h ILE 46 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2e9k h ILE 46 Cb 0.03 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2e9k h ILE 46 CO -0.06 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.46 2e9k h ILE 47 N -0.24 0.95 -0.65 -0.67 2.04 -1.29 -2.84 117.51 114.81 2e9k h ILE 47 Ca 0.07 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.98 2e9k h ILE 47 Cb 0.34 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2e9k h ILE 47 CO -0.20 0.01 0.30 -0.74 0.00 0.00 0.00 178.15 177.52 2e9k h HIS 48 N -0.10 0.53 -0.78 1.37 2.76 -0.56 0.24 115.15 118.61 2e9k h HIS 48 Ca -0.01 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.27 2e9k h HIS 48 Cb 0.08 -0.14 -0.11 0.00 1.55 0.00 0.00 27.41 28.79 2e9k h HIS 48 CO -0.07 0.18 -0.57 -0.09 -1.30 0.00 0.00 177.93 176.09 2e9k h ARG 49 N 0.52 -0.14 -0.08 5.26 9.65 -0.49 0.50 114.38 129.60 2e9k h ARG 49 Ca 0.32 0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 59.08 2e9k h ARG 49 Cb 0.34 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2e9k h ARG 49 CO -0.27 -0.10 -0.45 0.74 2.80 0.00 0.00 179.97 182.69 2e9k h PHE 50 N -0.15 0.62 -2.91 2.20 -1.00 -1.48 -3.40 116.94 110.81 2e9k h PHE 50 Ca 0.13 -0.28 -0.61 0.00 2.81 0.00 0.00 57.97 60.03 2e9k h PHE 50 Cb 0.49 -0.09 -0.40 0.00 3.61 0.00 0.00 35.95 39.55 2e9k h PHE 50 CO -0.91 1.05 -0.76 1.03 -1.61 0.00 0.00 178.31 177.11 2e9k s ARG 51 N -3.63 1.19 0.09 1.51 1.81 0.81 -4.95 118.95 115.78 2e9k s ARG 51 Ca -0.13 -1.93 0.18 0.00 -1.72 0.00 0.00 55.73 52.12 2e9k s ARG 51 Cb 0.05 -2.18 0.74 0.00 -0.45 0.00 0.00 34.95 33.11 2e9k s ARG 51 CO 0.81 -1.18 1.55 -0.35 -0.68 0.00 0.00 175.30 175.45 2e9k n PRO 52 N 3.57 0.07 0.07 3.54 -0.04 0.17 -2.80 135.00 139.57 2e9k n PRO 52 Ca 0.10 0.32 -0.21 0.00 -0.04 0.00 0.00 63.50 63.67 2e9k n PRO 52 Cb 0.35 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 2e9k n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2e9k h GLU 53 N 0.00 0.59 -0.49 0.54 4.11 -1.93 -3.31 114.58 114.09 2e9k h GLU 53 Ca 0.00 -0.74 0.01 0.00 0.07 0.00 0.00 59.36 58.69 2e9k h GLU 53 Cb 0.29 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2e9k h GLU 53 CO 0.00 1.32 0.32 -0.07 0.07 0.00 0.00 179.01 180.65 2e9k h LEU 54 N 0.20 0.55 -8.41 3.06 3.38 -1.89 -3.42 115.31 108.78 2e9k h LEU 54 Ca -0.16 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.14 2e9k h LEU 54 Cb 1.77 -0.13 -0.32 0.00 0.09 0.00 0.00 40.66 42.07 2e9k h LEU 54 CO 0.21 0.39 -0.87 -0.63 0.09 0.00 0.00 178.44 177.63 2e9k s ILE 55 N -6.15 1.92 -0.73 1.22 1.01 -1.24 -5.03 121.20 112.19 2e9k s ILE 55 Ca -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 2e9k s ILE 55 Cb 0.12 -1.64 0.19 0.00 0.01 0.00 0.00 42.46 41.14 2e9k s ILE 55 CO 0.74 0.54 0.58 0.54 0.00 0.00 0.00 174.94 177.34 2e9k s ASN 56 N -0.05 5.64 0.17 3.58 4.22 -1.26 -4.64 114.94 122.60 2e9k s ASN 56 Ca -0.06 -3.11 -0.15 0.00 -2.14 0.00 0.00 52.86 47.40 2e9k s ASN 56 Cb -0.14 -1.91 0.13 0.00 1.28 0.00 0.00 41.25 40.61 2e9k s ASN 56 CO 0.04 -0.33 1.69 0.15 -2.04 0.00 0.00 177.10 176.61 2e9k h PHE 57 N 6.79 -0.02 -1.18 1.54 3.04 -1.91 -0.89 116.94 124.30 2e9k h PHE 57 Ca 0.05 0.03 0.44 0.00 3.98 0.00 0.00 57.97 62.48 2e9k h PHE 57 Cb 0.92 0.08 -0.16 0.00 2.56 0.00 0.00 35.95 39.35 2e9k h PHE 57 CO 0.76 -0.09 0.71 -3.47 -2.02 0.00 0.00 178.31 174.20 2e9k n ASP 58 N -5.21 0.27 0.02 0.41 2.03 -1.26 0.48 116.55 113.30 2e9k n ASP 58 Ca 0.03 1.49 -0.19 0.00 0.52 0.00 0.00 54.79 56.64 2e9k n ASP 58 Cb 0.23 -0.73 -0.14 0.00 -0.72 0.00 0.00 41.12 39.76 2e9k n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2e9k h SER 59 N 0.00 0.37 -1.86 1.67 0.02 -1.61 -3.45 113.55 108.69 2e9k h SER 59 Ca 0.85 -0.93 -0.65 0.00 -0.84 0.00 0.00 61.79 60.22 2e9k h SER 59 Cb 2.52 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 64.95 2e9k h SER 59 CO -0.60 1.38 1.07 0.18 -1.14 0.00 0.00 176.83 177.72 2e9k n LEU 60 N -4.17 3.11 -4.99 5.07 4.77 0.18 -4.96 117.00 116.02 2e9k n LEU 60 Ca -0.16 0.97 -0.19 0.00 -0.03 0.00 0.00 56.01 56.60 2e9k n LEU 60 Cb 0.78 -1.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2e9k n LEU 60 CO 0.44 -0.18 0.08 0.21 -1.33 0.00 0.00 177.39 176.61 2e9k s ASN 61 N 4.13 5.97 0.19 -1.43 2.47 -1.26 -4.92 114.94 120.09 2e9k s ASN 61 Ca 0.95 -0.13 -0.06 0.00 0.42 0.00 0.00 52.86 54.04 2e9k s ASN 61 Cb -0.80 -1.29 0.10 0.00 -1.45 0.00 0.00 41.25 37.81 2e9k s ASN 61 CO 0.55 -0.45 1.56 -0.08 -3.72 0.00 0.00 177.10 174.96 2e9k h GLU 62 N 0.85 0.80 -0.43 0.43 4.81 -1.98 -2.59 114.58 116.47 2e9k h GLU 62 Ca -0.46 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.39 2e9k h GLU 62 Cb 1.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2e9k h GLU 62 CO 0.53 1.01 0.00 -3.47 -0.73 0.00 0.00 179.01 176.35 2e9k n ASP 63 N -4.07 1.44 -1.33 1.04 2.03 -1.26 -3.68 116.55 110.72 2e9k n ASP 63 Ca -0.01 -2.08 -0.08 0.00 0.52 0.00 0.00 54.79 53.14 2e9k n ASP 63 Cb 0.50 -0.27 0.19 0.00 -0.72 0.00 0.00 41.12 40.81 2e9k n ASP 63 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2e9k n ASP 64 N 0.09 2.80 -0.32 1.67 8.00 -0.97 -4.81 116.55 123.01 2e9k n ASP 64 Ca 0.07 -3.78 -0.11 0.00 0.71 0.00 0.00 54.79 51.67 2e9k n ASP 64 Cb 0.28 -0.65 -0.09 0.00 -0.02 0.00 0.00 41.12 40.63 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 1.08 -0.57 -0.87 2.24 0.00 -1.74 0.19 119.26 119.60 2e9k h ALA 65 Ca 0.28 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.41 2e9k h ALA 65 Cb 1.74 1.28 -0.15 0.00 0.00 0.00 0.00 17.79 20.66 2e9k h ALA 65 CO 0.50 -0.92 -0.35 0.28 0.00 0.00 0.00 179.25 178.77 2e9k h VAL 66 N -0.10 0.06 0.04 0.00 2.07 -1.82 0.75 116.25 117.25 2e9k h VAL 66 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2e9k h VAL 66 Cb 0.42 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2e9k h VAL 66 CO -0.78 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 176.47 2e9k h GLU 67 N -0.05 -0.05 -0.36 1.57 4.39 -1.31 -1.82 114.58 116.96 2e9k h GLU 67 Ca 0.33 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.08 2e9k h GLU 67 Cb 0.59 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.18 2e9k h GLU 67 CO -0.89 0.01 -0.52 -0.91 -1.16 0.00 0.00 179.01 175.54 2e9k h ASN 68 N -0.09 -1.72 0.19 1.42 2.35 0.15 0.21 115.58 118.09 2e9k h ASN 68 Ca -0.00 0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2e9k h ASN 68 Cb 0.08 0.70 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2e9k h ASN 68 CO 0.01 -0.38 -0.17 0.78 -1.65 0.00 0.00 177.43 176.02 2e9k h ASN 69 N -0.38 -0.47 -0.95 5.81 2.35 -0.38 -1.72 115.58 119.85 2e9k h ASN 69 Ca 0.06 0.04 0.28 0.00 -0.55 0.00 0.00 56.30 56.13 2e9k h ASN 69 Cb 0.55 0.15 -0.18 0.00 0.05 0.00 0.00 38.32 38.90 2e9k h ASN 69 CO -0.54 -0.23 0.09 0.00 -1.65 0.00 0.00 177.43 175.09 2e9k n GLN 70 N -3.35 -0.07 0.34 0.81 1.13 -0.69 -0.68 117.38 114.87 2e9k n GLN 70 Ca -0.04 1.41 -0.15 0.00 -1.94 0.00 0.00 57.00 56.27 2e9k n GLN 70 Cb 0.16 -2.28 -0.08 0.00 0.11 0.00 0.00 30.24 28.16 2e9k n GLN 70 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2e9k h LEU 71 N 0.00 -0.97 -0.59 1.08 5.85 -0.22 -0.63 115.31 119.82 2e9k h LEU 71 Ca 0.61 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.49 2e9k h LEU 71 Cb 1.32 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 42.52 2e9k h LEU 71 CO -0.87 -0.59 -0.26 0.00 -0.34 0.00 0.00 178.44 176.37 2e9k h ALA 72 N -1.35 0.14 -0.39 1.25 0.00 0.01 0.07 119.26 119.00 2e9k h ALA 72 Ca -0.09 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2e9k h ALA 72 Cb 0.76 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2e9k h ALA 72 CO 0.09 -0.58 0.02 0.74 0.00 0.00 0.00 179.25 179.52 2e9k h PHE 73 N -0.11 0.01 -0.53 0.00 0.04 -1.06 0.88 116.94 116.17 2e9k h PHE 73 Ca 0.26 0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.11 2e9k h PHE 73 Cb 0.52 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.68 2e9k h PHE 73 CO -0.58 -0.06 0.26 0.22 -0.60 0.00 0.00 178.31 177.55 2e9k h ASP 74 N 0.12 0.35 -0.60 2.17 3.58 0.55 -0.86 116.42 121.74 2e9k h ASP 74 Ca 0.19 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 2e9k h ASP 74 Cb 0.26 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2e9k h ASP 74 CO -0.30 0.24 0.22 0.58 -2.88 0.00 0.00 179.24 177.10 2e9k h VAL 75 N 0.49 1.23 -0.02 2.25 2.07 -0.26 0.37 116.25 122.40 2e9k h VAL 75 Ca 0.24 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2e9k h VAL 75 Cb 0.17 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2e9k h VAL 75 CO -0.18 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.55 2e9k h ALA 76 N 1.07 1.72 0.00 1.67 0.00 -0.27 0.31 119.26 123.76 2e9k h ALA 76 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2e9k h ALA 76 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2e9k h ALA 76 CO -0.01 0.21 -0.89 -1.91 0.00 0.00 0.00 179.25 176.65 2e9k n GLU 77 N -4.35 0.18 -0.04 0.00 2.13 -0.38 0.95 120.64 119.13 2e9k n GLU 77 Ca -0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 2e9k n GLU 77 Cb 0.23 -1.56 -0.14 0.00 0.27 0.00 0.00 31.44 30.23 2e9k n GLU 77 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2e9k n ARG 78 N -1.80 0.67 -0.09 5.31 0.63 0.13 -3.37 116.66 118.15 2e9k n ARG 78 Ca 0.03 0.21 -0.16 0.00 -0.92 0.00 0.00 57.85 57.01 2e9k n ARG 78 Cb 0.40 -1.69 -0.05 0.00 0.45 0.00 0.00 32.46 31.57 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2e9k n GLU 79 N -3.09 0.45 0.14 -0.14 -0.58 0.10 -4.64 120.64 112.88 2e9k n GLU 79 Ca -0.27 0.19 0.09 0.00 -0.42 0.00 0.00 57.16 56.75 2e9k n GLU 79 Cb 1.07 -1.27 0.05 0.00 -0.57 0.00 0.00 31.44 30.72 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 -0.81 0.00 -2.80 -0.32 0.04 -1.50 -3.48 116.94 108.07 2e9k h PHE 80 Ca -0.28 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.23 2e9k h PHE 80 Cb 1.15 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.33 2e9k h PHE 80 CO -0.21 0.16 -0.38 0.41 -0.60 0.00 0.00 178.31 177.69 2e9k n GLY 81 N 1.19 -0.10 3.62 -1.45 0.00 0.27 -4.91 105.19 103.82 2e9k n GLY 81 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.89 5.31 0.00 -0.61 1.01 0.01 -4.85 121.20 119.18 2e9k s ILE 82 Ca 0.16 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 2e9k s ILE 82 Cb -0.07 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2e9k s ILE 82 CO 0.20 0.30 1.45 -2.16 0.00 0.00 0.00 174.94 174.72 2e9k s PRO 83 N 1.39 4.26 0.32 2.79 0.04 -1.26 -3.73 135.00 138.81 2e9k s PRO 83 Ca 0.07 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2e9k s PRO 83 Cb -0.15 -3.61 -0.10 0.00 0.04 0.00 0.00 34.50 30.69 2e9k s PRO 83 CO 0.07 -0.62 1.22 -1.25 0.04 0.00 0.00 177.00 176.47 2e9k s PRO 84 N 2.56 4.44 0.19 0.56 0.04 -1.26 -4.95 135.00 136.59 2e9k s PRO 84 Ca 0.65 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.80 2e9k s PRO 84 Cb -0.32 -3.09 0.08 0.00 0.04 0.00 0.00 34.50 31.21 2e9k s PRO 84 CO 0.27 -0.05 1.44 -0.39 0.04 0.00 0.00 177.00 178.32 2e9k h VAL 85 N 3.02 1.52 -4.08 -0.36 -1.51 -1.95 -3.46 116.25 109.42 2e9k h VAL 85 Ca -0.48 -2.58 -0.17 0.00 -1.23 0.00 0.00 66.70 62.24 2e9k h VAL 85 Cb 1.22 2.41 -0.15 0.00 -2.13 0.00 0.00 31.29 32.64 2e9k h VAL 85 CO 0.66 0.74 -0.68 0.28 -1.23 0.00 0.00 177.57 177.34 2e9k s THR 86 N -3.27 0.40 0.25 7.19 -1.32 -1.26 -5.16 115.64 112.46 2e9k s THR 86 Ca -0.02 -1.87 -0.01 0.00 -1.21 0.00 0.00 61.69 58.58 2e9k s THR 86 Cb 0.11 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.41 2e9k s THR 86 CO 0.80 -0.89 0.46 0.42 -2.21 0.00 0.00 174.62 173.21 2e9k s THR 87 N -3.81 5.14 0.22 5.08 -4.23 -1.26 -4.92 115.64 111.85 2e9k s THR 87 Ca 0.11 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.21 2e9k s THR 87 Cb 0.07 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.31 2e9k s THR 87 CO -0.07 -0.30 1.71 1.23 -0.54 0.00 0.00 174.62 176.66 2e9k h GLY 88 N 1.62 0.84 0.50 3.99 0.00 -1.88 0.47 103.07 108.62 2e9k h GLY 88 Ca -0.48 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 46.84 2e9k h GLY 88 CO 0.66 -0.11 -0.08 0.50 0.00 0.00 0.00 176.54 177.51 2e9k h LYS 89 N 0.30 -0.05 -0.03 4.80 1.57 -1.94 0.18 116.57 121.40 2e9k h LYS 89 Ca 0.33 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 2e9k h LYS 89 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2e9k h LYS 89 CO -0.40 -0.03 -0.48 1.49 -0.57 0.00 0.00 179.45 179.46 2e9k h GLU 90 N -0.05 0.07 -0.41 3.15 4.81 -1.75 -1.13 114.58 119.26 2e9k h GLU 90 Ca 0.11 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 2e9k h GLU 90 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2e9k h GLU 90 CO -0.25 0.54 -0.25 1.98 -0.73 0.00 0.00 179.01 180.30 2e9k h MET 91 N 0.06 0.86 0.08 1.92 4.05 0.86 0.52 114.93 123.27 2e9k h MET 91 Ca -0.00 -0.37 -0.25 0.00 -0.28 0.00 0.00 59.70 58.80 2e9k h MET 91 Cb 0.87 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2e9k h MET 91 CO 0.07 1.01 -1.12 0.00 0.23 0.00 0.00 176.91 177.10 2e9k h ALA 92 N 0.97 0.22 0.07 0.39 0.00 -0.53 -3.34 119.26 117.04 2e9k h ALA 92 Ca 0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 2e9k h ALA 92 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2e9k h ALA 92 CO 0.07 0.93 -0.03 0.66 0.00 0.00 0.00 179.25 180.87 2e9k h SER 93 N 0.12 -0.08 -1.02 0.00 4.64 -1.14 -3.43 113.55 112.63 2e9k h SER 93 Ca -0.11 -0.48 -0.67 0.00 -0.47 0.00 0.00 61.79 60.06 2e9k h SER 93 Cb 1.81 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 2e9k h SER 93 CO 0.18 0.48 1.42 0.00 -0.87 0.00 0.00 176.83 178.04 2e9k n ALA 94 N -2.45 1.02 0.23 5.18 0.00 0.17 -4.84 120.51 119.82 2e9k n ALA 94 Ca -0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2e9k n ALA 94 Cb 0.28 -2.53 -0.08 0.00 0.00 0.00 0.00 19.45 17.12 2e9k n ALA 94 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e9k h GLN 95 N 12.34 -0.52 -3.48 0.00 1.08 -1.89 -3.40 115.11 119.26 2e9k h GLN 95 Ca -0.26 0.04 -0.60 0.00 -1.45 0.00 0.00 58.65 56.38 2e9k h GLN 95 Cb 1.33 0.12 -0.40 0.00 -0.05 0.00 0.00 27.48 28.47 2e9k h GLN 95 CO 1.03 -0.31 -0.75 -2.00 -0.95 0.00 0.00 178.83 175.86 2e9k s GLU 96 N -5.83 0.95 1.21 1.46 2.12 -1.26 -4.91 118.70 112.44 2e9k s GLU 96 Ca -0.16 -1.43 -0.19 0.00 0.36 0.00 0.00 54.97 53.55 2e9k s GLU 96 Cb 0.04 -2.19 0.29 0.00 0.26 0.00 0.00 34.13 32.53 2e9k s GLU 96 CO 0.62 -1.04 1.11 -1.25 -0.54 0.00 0.00 175.26 174.16 2e9k s PRO 97 N 1.17 -1.26 -0.12 4.30 0.04 -1.26 -5.00 135.00 132.86 2e9k s PRO 97 Ca 0.12 -0.08 -0.23 0.00 0.04 0.00 0.00 61.00 60.85 2e9k s PRO 97 Cb -0.20 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2e9k s PRO 97 CO -0.16 -3.73 0.71 -0.51 0.04 0.00 0.00 177.00 173.35 2e9k s ASP 98 N -3.90 6.89 0.21 6.66 1.01 -1.26 -4.96 116.67 121.33 2e9k s ASP 98 Ca 0.71 1.08 -0.09 0.00 0.71 0.00 0.00 52.55 54.97 2e9k s ASP 98 Cb -0.09 -2.40 0.27 0.00 1.01 0.00 0.00 42.92 41.71 2e9k s ASP 98 CO 0.56 -0.22 1.79 0.11 0.21 0.00 0.00 175.17 177.62 2e9k h LYS 99 N 7.07 0.61 0.50 8.23 1.57 -1.94 -2.51 116.57 130.10 2e9k h LYS 99 Ca -0.36 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 2e9k h LYS 99 Cb 1.17 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2e9k h LYS 99 CO 0.78 0.40 -0.35 1.25 -0.57 0.00 0.00 179.45 180.96 2e9k h LEU 100 N 0.63 -0.91 -1.93 2.94 7.12 -1.94 0.62 115.31 121.83 2e9k h LEU 100 Ca 0.31 0.06 0.41 0.00 0.13 0.00 0.00 57.88 58.79 2e9k h LEU 100 Cb 0.26 0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.61 2e9k h LEU 100 CO -0.22 -0.51 1.06 0.77 -0.13 0.00 0.00 178.44 179.41 2e9k h SER 101 N -0.81 0.00 0.12 1.25 4.64 -1.95 0.61 113.55 117.41 2e9k h SER 101 Ca -0.07 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 2e9k h SER 101 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2e9k h SER 101 CO 0.04 0.00 -0.80 0.24 -0.87 0.00 0.00 176.83 175.44 2e9k h MET 102 N 0.00 0.33 -0.00 4.77 2.86 -0.91 -3.09 114.93 118.89 2e9k h MET 102 Ca 0.68 -0.52 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2e9k h MET 102 Cb 2.80 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 34.64 2e9k h MET 102 CO -0.01 1.23 -0.00 0.28 1.06 0.00 0.00 176.91 179.47 2e9k h VAL 103 N -0.30 1.26 -0.88 -2.22 2.07 0.23 0.10 116.25 116.52 2e9k h VAL 103 Ca -0.13 -0.78 0.14 0.00 0.82 0.00 0.00 66.70 66.76 2e9k h VAL 103 Cb 1.60 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 2e9k h VAL 103 CO 0.15 0.20 0.57 0.00 0.02 0.00 0.00 177.57 178.51 2e9k h MET 104 N -0.33 0.65 0.07 1.57 -0.00 -0.72 0.28 114.93 116.44 2e9k h MET 104 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2e9k h MET 104 Cb 0.33 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 2e9k h MET 104 CO 0.00 0.43 -0.03 -0.92 -0.00 0.00 0.00 176.91 176.39 2e9k h TYR 105 N 0.67 -0.08 -0.97 -0.10 3.20 -1.44 -3.34 116.97 114.90 2e9k h TYR 105 Ca 0.44 -0.00 0.32 0.00 3.14 0.00 0.00 58.73 62.64 2e9k h TYR 105 Cb 0.74 0.03 -0.16 0.00 1.54 0.00 0.00 36.73 38.87 2e9k h TYR 105 CO -0.00 -0.05 0.38 -0.07 -1.64 0.00 0.00 178.16 176.78 2e9k h LEU 106 N -0.40 0.14 -0.94 2.82 3.38 -0.90 0.39 115.31 119.80 2e9k h LEU 106 Ca -0.01 0.23 0.28 0.00 0.09 0.00 0.00 57.88 58.48 2e9k h LEU 106 Cb 0.07 0.28 -0.16 0.00 0.09 0.00 0.00 40.66 40.94 2e9k h LEU 106 CO 0.01 -0.28 0.27 -1.28 0.09 0.00 0.00 178.44 177.26 2e9k h SER 107 N 0.13 -0.01 -0.49 -0.43 0.87 -1.06 0.26 113.55 112.83 2e9k h SER 107 Ca 0.71 0.23 0.10 0.00 -1.23 0.00 0.00 61.79 61.59 2e9k h SER 107 Cb 1.65 0.31 -0.10 0.00 -0.44 0.00 0.00 62.40 63.82 2e9k h SER 107 CO -0.73 -0.25 -0.18 0.11 -0.53 0.00 0.00 176.83 175.24 2e9k h LYS 108 N 0.14 -0.07 -0.05 2.24 1.57 -0.35 0.13 116.57 120.18 2e9k h LYS 108 Ca 0.63 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.41 2e9k h LYS 108 Cb 1.40 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 2e9k h LYS 108 CO -0.74 -0.05 -0.00 0.74 -0.57 0.00 0.00 179.45 178.84 2e9k h PHE 109 N -0.07 0.10 0.02 -1.35 0.04 -0.66 -1.40 116.94 113.62 2e9k h PHE 109 Ca 0.23 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.01 2e9k h PHE 109 Cb 0.43 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 2e9k h PHE 109 CO -0.47 0.38 -0.53 -0.92 -0.60 0.00 0.00 178.31 176.17 2e9k h TYR 110 N -0.21 -1.55 0.64 -0.55 5.03 -0.56 0.17 116.97 119.93 2e9k h TYR 110 Ca 0.01 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 2e9k h TYR 110 Cb 0.34 0.67 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 2e9k h TYR 110 CO 0.03 -0.58 -0.46 0.93 -1.32 0.00 0.00 178.16 176.76 2e9k h GLU 111 N -0.69 -1.02 -0.43 1.82 5.08 -0.82 0.27 114.58 118.79 2e9k h GLU 111 Ca 0.01 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2e9k h GLU 111 Cb 0.73 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 2e9k h GLU 111 CO -0.34 -0.68 -0.44 1.25 -1.00 0.00 0.00 179.01 177.79 2e9k h LEU 112 N -1.06 -1.52 -0.25 1.33 5.85 -1.07 -1.45 115.31 117.15 2e9k h LEU 112 Ca -0.08 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2e9k h LEU 112 Cb 0.88 0.63 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 2e9k h LEU 112 CO 0.04 -0.28 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.56 2e9k h PHE 113 N -0.24 -0.08 -0.98 1.25 -1.00 -0.62 -3.41 116.94 111.86 2e9k h PHE 113 Ca 0.07 0.02 -0.77 0.00 2.81 0.00 0.00 57.97 60.10 2e9k h PHE 113 Cb 0.43 0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 2e9k h PHE 113 CO -0.78 -0.08 1.03 -2.13 -1.61 0.00 0.00 178.31 174.75 2e9k n ARG 114 N -5.19 0.59 0.00 1.51 0.63 0.93 -4.76 116.66 110.38 2e9k n ARG 114 Ca -0.01 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2e9k n ARG 114 Cb 0.14 -1.88 0.00 0.00 0.45 0.00 0.00 32.46 31.17 2e9k n ARG 114 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2e9k n GLY 115 N 5.29 -0.08 3.64 5.14 0.00 -1.26 -4.92 105.19 113.01 2e9k n GLY 115 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e9k s THR 116 N -0.60 4.05 1.16 2.61 -1.32 -1.26 -5.12 115.64 115.15 2e9k s THR 116 Ca 0.00 -0.40 -0.18 0.00 -1.21 0.00 0.00 61.69 59.91 2e9k s THR 116 Cb 0.00 -2.70 0.26 0.00 -1.51 0.00 0.00 72.50 68.55 2e9k s THR 116 CO 0.00 0.56 1.10 -2.16 -2.21 0.00 0.00 174.62 171.92 2e9k s PRO 117 N -0.97 -0.85 1.27 7.08 0.04 -1.26 -5.02 135.00 135.28 2e9k s PRO 117 Ca 0.14 0.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.09 2e9k s PRO 117 Cb -0.11 -1.63 0.32 0.00 0.04 0.00 0.00 34.50 33.12 2e9k s PRO 117 CO 0.03 -3.49 0.92 1.28 0.04 0.00 0.00 177.00 175.78 2e9k n LEU 118 N -4.63 -1.57 -4.72 -3.56 4.77 -1.26 -4.88 117.00 101.15 2e9k n LEU 118 Ca 0.11 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 2e9k n LEU 118 Cb 0.59 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 2e9k n LEU 118 CO 0.48 -3.69 1.28 -0.60 -1.33 0.00 0.00 177.39 173.52 2e9k s ARG 119 N -4.49 4.19 1.23 3.23 3.52 -1.26 -5.00 118.95 120.37 2e9k s ARG 119 Ca 0.68 2.42 -0.20 0.00 -0.13 0.00 0.00 55.73 58.50 2e9k s ARG 119 Cb -0.22 -3.17 0.30 0.00 -1.56 0.00 0.00 34.95 30.30 2e9k s ARG 119 CO 0.63 -0.65 1.11 -1.25 -0.81 0.00 0.00 175.30 174.33 2e9k s PRO 120 N 1.28 -1.44 0.00 5.12 0.04 -1.26 -5.34 135.00 133.40 2e9k s PRO 120 Ca 0.72 -0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.66 2e9k s PRO 120 Cb -0.45 -1.58 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2e9k s PRO 120 CO 0.32 -3.84 0.64 0.28 0.04 0.00 0.00 177.00 174.44