#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 -4.84 -4.54 1.61 7.64 -1.26 -4.96 113.62 107.27 2e9k n SER 2 Ca 0.00 -0.48 -0.43 0.00 1.01 0.00 0.00 58.87 58.98 2e9k n SER 2 Cb 0.00 -4.37 -0.06 0.00 -1.01 0.00 0.00 64.21 58.76 2e9k n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e9k s SER 3 N -3.49 6.38 0.16 6.43 0.15 -1.26 -4.96 113.70 117.11 2e9k s SER 3 Ca 0.38 -0.11 -0.26 0.00 0.70 0.00 0.00 55.95 56.66 2e9k s SER 3 Cb -0.17 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2e9k s SER 3 CO 0.62 -0.75 1.58 1.23 1.20 0.00 0.00 173.24 177.12 2e9k h GLY 4 N 9.69 -0.46 -3.65 9.45 0.00 -2.09 -3.44 103.07 112.58 2e9k h GLY 4 Ca -0.26 0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 2e9k h GLY 4 CO 0.89 -0.19 -0.35 -1.35 0.00 0.00 0.00 176.54 175.54 2e9k s SER 5 N -5.05 0.02 0.37 0.19 1.04 -1.26 -5.18 113.70 103.83 2e9k s SER 5 Ca -0.15 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 55.95 2e9k s SER 5 Cb 0.12 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 2e9k s SER 5 CO 0.66 -0.63 -0.01 -0.44 0.98 0.00 0.00 173.24 173.80 2e9k s SER 6 N -2.34 3.95 0.00 7.02 0.01 -1.26 -5.08 113.70 116.00 2e9k s SER 6 Ca -0.02 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2e9k s SER 6 Cb 0.01 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2e9k s SER 6 CO -0.06 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2e9k n GLY 7 N -0.93 0.51 3.79 3.44 0.00 -1.26 -5.05 105.19 105.69 2e9k n GLY 7 Ca -0.04 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 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 -4.00 6.96 -0.20 1.61 -4.77 -1.26 -5.02 116.67 109.98 2e9k s ASP 8 Ca 0.00 1.93 -0.21 0.00 -3.30 0.00 0.00 52.55 50.97 2e9k s ASP 8 Cb 0.00 -2.58 -0.02 0.00 -1.09 0.00 0.00 42.92 39.23 2e9k s ASP 8 CO 0.00 -0.34 0.62 -0.63 0.70 0.00 0.00 175.17 175.52 2e9k s ILE 9 N -1.72 5.02 -0.03 2.11 1.01 -1.26 -4.98 121.20 121.36 2e9k s ILE 9 Ca 0.56 1.16 -0.18 0.00 0.00 0.00 0.00 60.65 62.19 2e9k s ILE 9 Cb -0.19 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 2e9k s ILE 9 CO 0.24 0.11 0.75 0.03 0.00 0.00 0.00 174.94 176.07 2e9k h ARG 10 N 7.53 -0.55 0.00 2.79 3.08 -2.03 -3.17 114.38 122.03 2e9k h ARG 10 Ca -0.31 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2e9k h ARG 10 Cb 1.14 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2e9k h ARG 10 CO 0.77 -0.33 0.00 -0.35 -1.07 0.00 0.00 179.97 178.99 2e9k n PRO 11 N -5.16 0.49 -0.35 0.04 -0.04 -1.26 -4.07 135.00 124.65 2e9k n PRO 11 Ca -0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.27 2e9k n PRO 11 Cb 0.25 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2e9k n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2e9k h SER 12 N 0.00 -2.00 0.09 3.54 0.87 -1.96 0.13 113.55 114.22 2e9k h SER 12 Ca 0.00 0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2e9k h SER 12 Cb 0.00 0.88 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 2e9k h SER 12 CO 0.00 -0.25 -0.38 0.50 -0.53 0.00 0.00 176.83 176.17 2e9k h LYS 13 N -0.07 -0.57 -0.20 2.24 3.64 -1.84 -2.36 116.57 117.41 2e9k h LYS 13 Ca 0.14 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2e9k h LYS 13 Cb 0.42 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 2e9k h LYS 13 CO -0.83 -0.38 -0.31 1.25 -2.27 0.00 0.00 179.45 176.91 2e9k h LEU 14 N -0.59 -1.02 -0.99 5.20 5.85 -1.46 -1.82 115.31 120.47 2e9k h LEU 14 Ca 0.03 0.13 0.14 0.00 0.84 0.00 0.00 57.88 59.03 2e9k h LEU 14 Cb 0.63 0.41 -0.15 0.00 0.37 0.00 0.00 40.66 41.93 2e9k h LEU 14 CO -0.24 -0.23 -0.42 -0.11 -0.34 0.00 0.00 178.44 177.10 2e9k n LEU 15 N -4.18 -0.70 -0.37 2.25 7.94 0.32 -0.20 117.00 122.07 2e9k n LEU 15 Ca -0.02 1.73 0.01 0.00 -1.11 0.00 0.00 56.01 56.62 2e9k n LEU 15 Cb 0.19 -0.37 0.07 0.00 0.53 0.00 0.00 43.42 43.84 2e9k n LEU 15 CO 0.01 -1.54 0.61 0.74 -1.11 0.00 0.00 177.39 176.10 2e9k h THR 16 N 0.00 0.01 0.25 1.96 2.02 -0.79 0.10 112.91 116.47 2e9k h THR 16 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 2e9k h THR 16 Cb 0.56 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2e9k h THR 16 CO -0.98 0.00 -0.46 -0.25 0.37 0.00 0.00 175.52 174.20 2e9k h TRP 17 N -0.01 -1.32 -0.44 3.16 7.01 -0.39 -1.66 115.95 122.31 2e9k h TRP 17 Ca 0.38 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.49 2e9k h TRP 17 Cb 0.63 0.54 -0.09 0.00 -2.10 0.00 0.00 29.16 28.14 2e9k h TRP 17 CO -0.84 -0.56 -0.25 0.00 -2.79 0.00 0.00 178.44 174.00 2e9k h GLN 19 N -0.17 0.25 0.05 0.00 4.20 -0.56 0.45 115.11 119.34 2e9k h GLN 19 Ca 0.20 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 2e9k h GLN 19 Cb 0.49 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2e9k h GLN 19 CO -0.53 0.17 -0.03 1.96 -0.67 0.00 0.00 178.83 179.73 2e9k h GLN 20 N 0.26 -0.07 -0.73 1.46 1.08 -0.10 -2.56 115.11 114.45 2e9k h GLN 20 Ca 0.47 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.78 2e9k h GLN 20 Cb 0.85 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.21 2e9k h GLN 20 CO -0.56 0.14 0.34 1.96 -0.95 0.00 0.00 178.83 179.76 2e9k h GLN 21 N -0.27 0.53 -1.14 1.46 1.08 0.15 0.01 115.11 116.93 2e9k h GLN 21 Ca -0.01 -0.03 -0.38 0.00 -1.45 0.00 0.00 58.65 56.78 2e9k h GLN 21 Cb 0.24 -0.12 -0.20 0.00 -0.05 0.00 0.00 27.48 27.36 2e9k h GLN 21 CO 0.01 0.35 0.48 0.25 -0.95 0.00 0.00 178.83 178.98 2e9k n THR 22 N -4.91 2.68 -3.13 -0.54 -2.24 0.01 -4.79 114.28 101.36 2e9k n THR 22 Ca 0.12 -1.57 -0.39 0.00 -2.27 0.00 0.00 64.05 59.94 2e9k n THR 22 Cb 0.33 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.27 4.33 0.00 -0.78 2.12 -0.01 -4.08 118.70 118.00 2e9k s GLU 23 Ca 0.39 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.41 2e9k s GLU 23 Cb 0.32 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2e9k s GLU 23 CO 0.04 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2e9k n GLY 24 N 3.41 3.05 2.61 -1.50 0.00 -1.26 -5.05 105.19 106.45 2e9k n GLY 24 Ca -0.02 -0.86 -0.31 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 -2.93 -3.52 1.61 4.02 -1.26 -4.91 117.16 110.17 2e9k n TYR 25 Ca 0.00 0.26 -0.35 0.00 -0.01 0.00 0.00 57.90 57.79 2e9k n TYR 25 Cb 0.00 -1.32 -0.06 0.00 -0.02 0.00 0.00 39.34 37.94 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 -1.06 3.83 -1.48 -0.72 -1.52 -1.26 -4.10 119.66 113.34 2e9k s GLN 26 Ca 0.43 0.27 0.00 0.00 -1.95 0.00 0.00 55.36 54.11 2e9k s GLN 26 Cb -0.33 -3.03 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 2e9k s GLN 26 CO 0.58 0.57 0.00 0.72 -0.25 0.00 0.00 175.29 176.91 2e9k n HIS 27 N 1.06 -1.10 -3.86 0.91 8.25 -1.26 -4.94 115.22 114.29 2e9k n HIS 27 Ca -0.09 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.07 2e9k n HIS 27 Cb 0.52 -3.37 -0.15 0.00 1.12 0.00 0.00 29.99 28.11 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 -2.80 1.52 -0.42 1.59 1.01 -1.26 -5.07 120.40 114.97 2e9k s VAL 28 Ca 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.10 2e9k s VAL 28 Cb 0.00 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.36 2e9k s VAL 28 CO 0.00 -0.65 0.19 0.21 0.00 0.00 0.00 175.10 174.85 2e9k s ASN 29 N 1.24 5.11 -0.47 3.32 2.47 -1.26 -4.84 114.94 120.51 2e9k s ASN 29 Ca 0.11 -2.17 -0.21 0.00 0.42 0.00 0.00 52.86 51.01 2e9k s ASN 29 Cb -0.18 -1.78 0.03 0.00 -1.45 0.00 0.00 41.25 37.87 2e9k s ASN 29 CO -0.17 -0.48 0.69 -0.69 -3.72 0.00 0.00 177.10 172.74 2e9k s VAL 30 N 0.93 4.76 -0.01 -5.21 1.01 -1.26 -4.82 120.40 115.80 2e9k s VAL 30 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2e9k s VAL 30 Cb -0.22 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2e9k s VAL 30 CO -0.05 -0.72 -0.00 0.35 0.00 0.00 0.00 175.10 174.68 2e9k n THR 31 N 5.88 0.05 -4.50 3.92 -2.24 -1.26 -4.87 114.28 111.26 2e9k n THR 31 Ca -0.02 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 2e9k n THR 31 Cb 0.47 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.38 2.55 -0.83 3.42 8.00 -1.26 -5.07 116.55 120.99 2e9k n ASP 32 Ca -0.01 -2.60 0.02 0.00 0.71 0.00 0.00 54.79 52.90 2e9k n ASP 32 Cb 0.52 0.38 0.18 0.00 -0.02 0.00 0.00 41.12 42.18 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e9k n LEU 33 N 0.00 2.97 0.03 0.64 4.77 -1.26 -4.33 117.00 119.82 2e9k n LEU 33 Ca -0.12 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.88 2e9k n LEU 33 Cb 0.46 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2e9k n LEU 33 CO 0.25 1.48 -0.14 0.35 -1.33 0.00 0.00 177.39 177.99 2e9k n THR 34 N -1.02 0.15 0.03 -5.08 -2.24 -1.26 -4.76 114.28 100.10 2e9k n THR 34 Ca 0.22 0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.87 2e9k n THR 34 Cb 0.74 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.88 -0.89 4.28 1.35 -1.86 -3.32 112.91 113.35 2e9k h THR 35 Ca 0.00 -2.58 0.19 0.00 -0.55 0.00 0.00 66.41 63.47 2e9k h THR 35 Cb 0.29 2.61 -0.07 0.00 -1.73 0.00 0.00 68.15 69.25 2e9k h THR 35 CO 0.00 0.80 0.59 0.28 -0.25 0.00 0.00 175.52 176.93 2e9k h SER 36 N 0.06 0.45 -0.78 5.36 0.02 -1.90 0.24 113.55 117.01 2e9k h SER 36 Ca -0.33 0.04 -0.41 0.00 -0.84 0.00 0.00 61.79 60.26 2e9k h SER 36 Cb 2.04 -0.04 -0.24 0.00 0.14 0.00 0.00 62.40 64.29 2e9k h SER 36 CO 0.12 0.19 0.40 0.79 -1.14 0.00 0.00 176.83 177.20 2e9k n TRP 37 N -4.53 2.41 0.07 3.45 7.02 -1.26 -4.24 117.44 120.36 2e9k n TRP 37 Ca 0.19 -1.78 -0.19 0.00 -1.02 0.00 0.00 57.50 54.70 2e9k n TRP 37 Cb 0.65 -0.80 -0.14 0.00 -2.42 0.00 0.00 31.31 28.60 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 1.01 0.30 0.00 -0.99 0.11 -0.60 -3.39 114.38 110.81 2e9k h ARG 38 Ca 0.50 -0.51 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 2e9k h ARG 38 Cb 2.46 0.19 -0.01 0.00 1.11 0.00 0.00 29.97 33.71 2e9k h ARG 38 CO 0.87 1.18 -0.54 1.03 0.10 0.00 0.00 179.97 182.61 2e9k h SER 39 N 0.08 0.00 0.00 0.08 0.87 -1.78 -2.91 113.55 109.89 2e9k h SER 39 Ca -0.27 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2e9k h SER 39 Cb 2.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 2e9k h SER 39 CO 0.17 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.14 2e9k n GLY 40 N 1.57 3.86 0.43 5.77 0.00 -1.26 -3.16 105.19 112.41 2e9k n GLY 40 Ca -0.16 -0.73 0.34 0.00 0.00 0.00 0.00 46.02 45.47 2e9k n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2e9k h LEU 41 N 0.00 0.30 0.01 0.99 3.38 -1.90 0.83 115.31 118.91 2e9k h LEU 41 Ca 0.00 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2e9k h LEU 41 Cb 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2e9k h LEU 41 CO 0.00 -0.17 -0.47 0.00 0.09 0.00 0.00 178.44 177.89 2e9k h ALA 42 N 1.66 -0.78 0.27 1.53 0.00 -1.94 0.20 119.26 120.20 2e9k h ALA 42 Ca 0.79 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 2e9k h ALA 42 Cb 2.35 0.82 0.00 0.00 0.00 0.00 0.00 17.79 20.97 2e9k h ALA 42 CO -0.46 -1.02 -0.13 1.25 0.00 0.00 0.00 179.25 178.89 2e9k h LEU 43 N -0.62 -0.31 -1.08 0.00 5.85 -1.20 -3.08 115.31 114.88 2e9k h LEU 43 Ca 0.03 -0.20 0.37 0.00 0.84 0.00 0.00 57.88 58.93 2e9k h LEU 43 Cb 0.69 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.64 2e9k h LEU 43 CO -0.33 0.07 0.61 0.00 -0.34 0.00 0.00 178.44 178.44 2e9k h ALA 45 N 1.85 -0.97 -0.72 0.00 0.00 -0.86 0.12 119.26 118.68 2e9k h ALA 45 Ca 0.79 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.66 2e9k h ALA 45 Cb 2.02 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 20.22 2e9k h ALA 45 CO -0.62 -1.07 -0.21 0.82 0.00 0.00 0.00 179.25 178.16 2e9k h ILE 46 N -0.93 0.24 0.42 0.00 2.04 -0.87 0.45 117.51 118.87 2e9k h ILE 46 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2e9k h ILE 46 Cb 0.78 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2e9k h ILE 46 CO 0.01 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.36 2e9k h ILE 47 N -0.02 0.00 -1.36 -0.67 2.04 -1.27 -2.95 117.51 113.27 2e9k h ILE 47 Ca 0.34 -0.10 0.39 0.00 1.00 0.00 0.00 64.86 66.49 2e9k h ILE 47 Cb 0.54 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 2e9k h ILE 47 CO -0.75 0.00 0.96 -0.74 0.00 0.00 0.00 178.15 177.62 2e9k h HIS 48 N -0.67 0.09 0.73 1.37 -0.00 -0.39 0.27 115.15 116.55 2e9k h HIS 48 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 2e9k h HIS 48 Cb 0.43 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2e9k h HIS 48 CO 0.09 -0.01 -0.49 -0.09 -0.00 0.00 0.00 177.93 177.43 2e9k h ARG 49 N 0.04 -1.12 -0.00 5.26 1.12 0.07 -1.57 114.38 118.18 2e9k h ARG 49 Ca 0.67 0.08 -0.04 0.00 -1.11 0.00 0.00 59.98 59.57 2e9k h ARG 49 Cb 2.55 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 32.77 2e9k h ARG 49 CO -0.06 -0.75 -0.15 0.74 -3.11 0.00 0.00 179.97 176.65 2e9k h PHE 50 N -1.16 0.15 -3.22 2.20 -1.00 -1.03 -3.41 116.94 109.48 2e9k h PHE 50 Ca -0.10 -0.08 -0.63 0.00 2.81 0.00 0.00 57.97 59.97 2e9k h PHE 50 Cb 0.95 -0.02 -0.41 0.00 3.61 0.00 0.00 35.95 40.08 2e9k h PHE 50 CO -0.14 0.86 -0.67 1.03 -1.61 0.00 0.00 178.31 177.79 2e9k s ARG 51 N -3.16 1.74 0.46 1.51 1.81 0.77 -4.94 118.95 117.15 2e9k s ARG 51 Ca -0.17 -2.43 0.25 0.00 -1.72 0.00 0.00 55.73 51.66 2e9k s ARG 51 Cb 0.00 -2.95 1.06 0.00 -0.45 0.00 0.00 34.95 32.60 2e9k s ARG 51 CO 0.72 -1.14 1.89 -1.00 -0.68 0.00 0.00 175.30 175.09 2e9k h PRO 52 N 6.52 0.00 -0.97 3.54 0.13 -1.46 -3.07 132.00 136.70 2e9k h PRO 52 Ca -0.04 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2e9k h PRO 52 Cb 0.90 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.97 2e9k h PRO 52 CO 0.61 0.21 0.63 1.49 -0.23 0.00 0.00 178.00 180.71 2e9k h GLU 53 N 0.00 1.13 -0.02 0.86 4.81 -1.92 -2.73 114.58 116.71 2e9k h GLU 53 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2e9k h GLU 53 Cb 0.64 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2e9k h GLU 53 CO 0.03 0.75 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.97 2e9k h LEU 54 N 1.16 0.04 -7.96 1.64 3.38 -1.93 -3.44 115.31 108.21 2e9k h LEU 54 Ca 0.40 -0.47 -0.46 0.00 0.09 0.00 0.00 57.88 57.45 2e9k h LEU 54 Cb 0.10 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 40.52 2e9k h LEU 54 CO -0.14 0.50 -0.80 -0.63 0.09 0.00 0.00 178.44 177.46 2e9k s ILE 55 N -4.34 0.90 -0.51 1.22 1.01 -1.03 -5.07 121.20 113.38 2e9k s ILE 55 Ca -0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 2e9k s ILE 55 Cb 0.02 -0.81 0.13 0.00 0.01 0.00 0.00 42.46 41.81 2e9k s ILE 55 CO 0.68 0.29 0.32 0.20 0.00 0.00 0.00 174.94 176.43 2e9k s ASN 56 N 0.41 5.26 0.43 3.58 0.01 -1.24 -4.37 114.94 119.03 2e9k s ASN 56 Ca -0.08 -2.40 0.31 0.00 -0.71 0.00 0.00 52.86 49.98 2e9k s ASN 56 Cb -0.12 -1.85 1.44 0.00 0.41 0.00 0.00 41.25 41.14 2e9k s ASN 56 CO 0.01 -0.47 1.51 0.33 -1.51 0.00 0.00 177.10 176.98 2e9k n PHE 57 N 4.10 0.69 -0.22 2.20 7.35 -1.26 0.20 117.46 130.52 2e9k n PHE 57 Ca 0.02 0.69 -0.07 0.00 -0.76 0.00 0.00 57.45 57.33 2e9k n PHE 57 Cb 0.40 -1.13 0.03 0.00 0.35 0.00 0.00 39.48 39.13 2e9k n PHE 57 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2e9k h ASP 58 N 0.00 0.83 0.72 -2.13 3.58 -2.00 -2.66 116.42 114.75 2e9k h ASP 58 Ca 0.85 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 58.01 2e9k h ASP 58 Cb 2.74 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 43.56 2e9k h ASP 58 CO -0.46 0.75 -0.68 0.28 -2.88 0.00 0.00 179.24 176.25 2e9k h SER 59 N 0.85 0.00 -2.29 2.28 0.02 0.18 -3.43 113.55 111.17 2e9k h SER 59 Ca 0.21 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.59 2e9k h SER 59 Cb 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2e9k h SER 59 CO -0.02 0.68 1.39 -0.76 -1.14 0.00 0.00 176.83 176.99 2e9k s LEU 60 N -7.39 3.46 -0.36 5.07 1.43 -0.35 -4.92 118.68 115.61 2e9k s LEU 60 Ca -0.01 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.29 2e9k s LEU 60 Cb 0.12 -3.40 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2e9k s LEU 60 CO 0.77 -1.92 1.37 0.21 0.23 0.00 0.00 176.35 177.01 2e9k s ASN 61 N 7.51 6.49 0.52 2.29 3.04 -1.26 -4.87 114.94 128.65 2e9k s ASN 61 Ca 0.89 1.01 0.31 0.00 0.04 0.00 0.00 52.86 55.11 2e9k s ASN 61 Cb -0.26 -2.54 1.45 0.00 -1.54 0.00 0.00 41.25 38.36 2e9k s ASN 61 CO 0.33 -1.27 1.87 1.05 -3.04 0.00 0.00 177.10 176.04 2e9k h GLU 62 N 10.08 0.04 -0.07 0.43 9.09 -1.92 0.47 114.58 132.70 2e9k h GLU 62 Ca -0.27 -0.00 -0.17 0.00 0.05 0.00 0.00 59.36 58.97 2e9k h GLU 62 Cb 1.10 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.18 2e9k h GLU 62 CO 1.06 0.03 -0.68 0.22 0.05 0.00 0.00 179.01 179.69 2e9k h ASP 63 N 0.04 0.35 -0.39 3.06 3.58 -2.01 -3.29 116.42 117.76 2e9k h ASP 63 Ca 0.46 -0.22 -0.49 0.00 0.42 0.00 0.00 57.03 57.19 2e9k h ASP 63 Cb 1.74 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 42.63 2e9k h ASP 63 CO -0.03 0.93 1.58 0.47 -2.88 0.00 0.00 179.24 179.31 2e9k n ASP 64 N -3.83 7.07 -0.17 2.28 8.00 0.16 -4.66 116.55 125.39 2e9k n ASP 64 Ca -0.03 -2.75 -0.01 0.00 0.71 0.00 0.00 54.79 52.70 2e9k n ASP 64 Cb 0.67 -1.42 0.08 0.00 -0.02 0.00 0.00 41.12 40.43 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9k h ALA 65 N 3.91 0.61 -0.22 2.24 0.00 -1.69 -0.98 119.26 123.12 2e9k h ALA 65 Ca 0.53 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.62 2e9k h ALA 65 Cb 0.78 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2e9k h ALA 65 CO 1.05 -0.32 -0.35 0.28 0.00 0.00 0.00 179.25 179.91 2e9k h VAL 66 N 0.23 0.22 -0.20 0.00 2.07 -1.83 -2.01 116.25 114.73 2e9k h VAL 66 Ca 0.28 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.81 2e9k h VAL 66 Cb 0.39 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2e9k h VAL 66 CO -0.37 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 176.97 2e9k h GLU 67 N -0.37 0.17 -0.80 1.57 5.08 -1.76 -2.63 114.58 115.83 2e9k h GLU 67 Ca 0.11 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2e9k h GLU 67 Cb 0.57 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.67 2e9k h GLU 67 CO -0.43 0.11 -0.56 -0.91 -1.00 0.00 0.00 179.01 176.22 2e9k h ASN 68 N 0.17 -2.01 0.36 1.42 2.35 -0.49 0.23 115.58 117.61 2e9k h ASN 68 Ca 0.09 0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 56.13 2e9k h ASN 68 Cb 0.05 0.88 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2e9k h ASN 68 CO -0.08 -0.29 -0.39 0.78 -1.65 0.00 0.00 177.43 175.80 2e9k h ASN 69 N -0.13 -1.06 -0.95 5.81 2.35 -1.29 -2.13 115.58 118.18 2e9k h ASN 69 Ca 0.14 0.09 0.29 0.00 -0.55 0.00 0.00 56.30 56.27 2e9k h ASN 69 Cb 0.48 0.35 -0.16 0.00 0.05 0.00 0.00 38.32 39.04 2e9k h ASN 69 CO -0.83 -0.50 0.23 1.56 -1.65 0.00 0.00 177.43 176.24 2e9k h GLN 70 N -0.75 0.10 0.28 0.81 1.08 -1.01 -1.21 115.11 114.41 2e9k h GLN 70 Ca -0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2e9k h GLN 70 Cb 0.66 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2e9k h GLN 70 CO -0.06 0.07 -0.19 1.25 -0.95 0.00 0.00 178.83 178.94 2e9k h LEU 71 N 0.10 -0.51 -0.84 1.46 5.85 -0.04 0.58 115.31 121.92 2e9k h LEU 71 Ca 0.63 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.56 2e9k h LEU 71 Cb 1.39 0.15 -0.16 0.00 0.37 0.00 0.00 40.66 42.42 2e9k h LEU 71 CO -0.77 -0.28 -0.17 0.00 -0.34 0.00 0.00 178.44 176.88 2e9k h ALA 72 N -1.56 0.62 0.03 1.25 0.00 -0.64 0.22 119.26 119.19 2e9k h ALA 72 Ca -0.04 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2e9k h ALA 72 Cb 0.37 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2e9k h ALA 72 CO 0.02 -0.41 -0.09 0.74 0.00 0.00 0.00 179.25 179.50 2e9k h PHE 73 N 0.01 -0.23 -0.35 0.00 0.04 -1.11 0.10 116.94 115.41 2e9k h PHE 73 Ca 0.42 0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.23 2e9k h PHE 73 Cb 0.67 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.88 2e9k h PHE 73 CO -0.62 -0.14 0.11 0.22 -0.60 0.00 0.00 178.31 177.28 2e9k h ASP 74 N -0.17 0.11 -0.45 2.17 3.58 0.15 0.28 116.42 122.09 2e9k h ASP 74 Ca 0.03 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2e9k h ASP 74 Cb 0.20 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2e9k h ASP 74 CO -0.07 0.10 0.28 0.58 -2.88 0.00 0.00 179.24 177.24 2e9k h VAL 75 N 0.25 1.06 -0.48 2.25 2.07 -0.40 -0.05 116.25 120.96 2e9k h VAL 75 Ca 0.16 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 2e9k h VAL 75 Cb 0.14 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2e9k h VAL 75 CO -0.17 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.41 2e9k h ALA 76 N 1.20 0.91 0.00 1.67 0.00 -0.52 0.31 119.26 122.83 2e9k h ALA 76 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2e9k h ALA 76 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2e9k h ALA 76 CO -0.07 0.63 0.00 -1.91 0.00 0.00 0.00 179.25 177.90 2e9k n GLU 77 N -4.15 0.09 -0.07 0.00 2.13 0.96 0.19 120.64 119.79 2e9k n GLU 77 Ca 0.01 0.22 -0.07 0.00 0.66 0.00 0.00 57.16 57.99 2e9k n GLU 77 Cb 0.38 -1.64 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 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 0.41 0.07 5.31 3.00 -0.07 -3.60 116.66 119.97 2e9k n ARG 78 Ca 0.04 0.16 -0.11 0.00 -0.00 0.00 0.00 57.85 57.94 2e9k n ARG 78 Cb 0.27 -1.21 -0.08 0.00 0.00 0.00 0.00 32.46 31.45 2e9k n ARG 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2e9k h GLU 79 N -0.77 -0.23 0.00 -0.14 4.39 -0.52 -3.28 114.58 114.03 2e9k h GLU 79 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2e9k h GLU 79 Cb 0.77 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2e9k h GLU 79 CO 0.00 0.18 -0.24 0.74 -1.16 0.00 0.00 179.01 178.54 2e9k h PHE 80 N -0.84 0.00 -3.68 4.33 0.04 -1.31 -3.48 116.94 112.01 2e9k h PHE 80 Ca -0.02 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.37 2e9k h PHE 80 Cb 0.52 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.70 2e9k h PHE 80 CO 0.08 0.00 -0.54 0.41 -0.60 0.00 0.00 178.31 177.66 2e9k n GLY 81 N 1.28 -0.43 3.54 -1.45 0.00 0.51 -4.90 105.19 103.75 2e9k n GLY 81 Ca 0.04 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.08 5.00 0.09 -0.61 1.01 0.20 -4.85 121.20 118.97 2e9k s ILE 82 Ca 0.18 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 2e9k s ILE 82 Cb -0.08 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 2e9k s ILE 82 CO 0.23 0.27 1.38 -2.16 0.00 0.00 0.00 174.94 174.65 2e9k s PRO 83 N 1.71 4.32 0.55 2.79 0.04 -1.26 -2.95 135.00 140.20 2e9k s PRO 83 Ca 0.07 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 2e9k s PRO 83 Cb -0.16 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.01 2e9k s PRO 83 CO 0.09 -0.44 1.13 -1.25 0.04 0.00 0.00 177.00 176.56 2e9k s PRO 84 N 1.32 3.33 -0.05 0.56 0.04 -1.26 -4.98 135.00 133.96 2e9k s PRO 84 Ca 0.64 1.60 0.12 0.00 0.04 0.00 0.00 61.00 63.40 2e9k s PRO 84 Cb -0.35 -2.00 -0.23 0.00 0.04 0.00 0.00 34.50 31.95 2e9k s PRO 84 CO 0.30 -0.87 0.63 1.33 0.04 0.00 0.00 177.00 178.43 2e9k n VAL 85 N -1.35 1.61 -4.17 -0.36 0.24 -1.26 -4.97 118.33 108.07 2e9k n VAL 85 Ca 0.12 -0.79 -0.10 0.00 -2.04 0.00 0.00 64.34 61.52 2e9k n VAL 85 Cb 0.51 -1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 31.73 2e9k n VAL 85 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2e9k s THR 86 N -2.59 0.43 -0.02 3.34 -1.32 -1.26 -5.15 115.64 109.07 2e9k s THR 86 Ca -0.06 -1.92 -0.15 0.00 -1.21 0.00 0.00 61.69 58.36 2e9k s THR 86 Cb 0.08 -1.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.14 2e9k s THR 86 CO 0.82 -0.68 0.42 0.42 -2.21 0.00 0.00 174.62 173.40 2e9k s THR 87 N -3.81 5.05 0.32 5.08 -4.23 -1.26 -4.91 115.64 111.87 2e9k s THR 87 Ca 0.18 0.86 0.06 0.00 -1.18 0.00 0.00 61.69 61.61 2e9k s THR 87 Cb 0.07 -3.73 0.37 0.00 1.34 0.00 0.00 72.50 70.55 2e9k s THR 87 CO -0.02 0.53 1.59 1.23 -0.54 0.00 0.00 174.62 177.42 2e9k h GLY 88 N 5.09 1.53 0.41 3.99 0.00 -1.88 0.37 103.07 112.57 2e9k h GLY 88 Ca -0.49 0.03 0.06 0.00 0.00 0.00 0.00 47.33 46.92 2e9k h GLY 88 CO 0.64 -0.55 -0.09 0.50 0.00 0.00 0.00 176.54 177.04 2e9k h LYS 89 N 0.06 -0.04 -0.22 4.80 1.57 -1.94 -1.06 116.57 119.75 2e9k h LYS 89 Ca 0.65 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.35 2e9k h LYS 89 Cb 1.44 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 2e9k h LYS 89 CO -0.82 -0.03 -0.18 1.49 -0.57 0.00 0.00 179.45 179.35 2e9k h GLU 90 N -0.04 0.51 -0.77 3.15 4.81 -0.83 -0.51 114.58 120.89 2e9k h GLU 90 Ca 0.13 -0.25 0.17 0.00 -0.13 0.00 0.00 59.36 59.28 2e9k h GLU 90 Cb 0.25 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.52 2e9k h GLU 90 CO -0.30 0.82 0.23 1.98 -0.73 0.00 0.00 179.01 181.02 2e9k h MET 91 N 0.19 0.31 0.12 1.92 4.05 -0.27 0.41 114.93 121.67 2e9k h MET 91 Ca 0.04 -0.02 -0.29 0.00 -0.28 0.00 0.00 59.70 59.15 2e9k h MET 91 Cb 0.72 -0.07 0.02 0.00 -0.80 0.00 0.00 31.60 31.47 2e9k h MET 91 CO 0.05 0.20 -1.23 0.00 0.23 0.00 0.00 176.91 176.16 2e9k h ALA 92 N 1.63 0.06 0.68 0.39 0.00 -0.99 -3.37 119.26 117.66 2e9k h ALA 92 Ca 0.44 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2e9k h ALA 92 Cb 0.77 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2e9k h ALA 92 CO -0.50 0.78 -0.33 0.77 0.00 0.00 0.00 179.25 179.97 2e9k h SER 93 N 0.20 -0.78 -1.54 0.00 0.02 0.28 -3.42 113.55 108.31 2e9k h SER 93 Ca -0.17 0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 60.12 2e9k h SER 93 Cb 1.92 0.20 0.01 0.00 0.14 0.00 0.00 62.40 64.66 2e9k h SER 93 CO 0.22 -0.52 1.09 0.00 -1.14 0.00 0.00 176.83 176.48 2e9k n ALA 94 N -2.51 0.40 0.50 3.77 0.00 0.13 -4.87 120.51 117.93 2e9k n ALA 94 Ca -0.11 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 2e9k n ALA 94 Cb 0.36 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.35 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 9.03 -1.23 -4.19 0.00 1.08 -1.88 -3.39 115.11 114.53 2e9k h GLN 95 Ca -0.42 0.08 -0.67 0.00 -1.45 0.00 0.00 58.65 56.20 2e9k h GLN 95 Cb 1.31 0.28 -0.39 0.00 -0.05 0.00 0.00 27.48 28.63 2e9k h GLN 95 CO 0.97 -0.82 -0.62 -2.00 -0.95 0.00 0.00 178.83 175.42 2e9k s GLU 96 N -5.69 1.85 1.24 1.46 2.12 -1.26 -4.78 118.70 113.63 2e9k s GLU 96 Ca -0.19 -2.13 -0.21 0.00 0.36 0.00 0.00 54.97 52.80 2e9k s GLU 96 Cb 0.02 -3.38 0.31 0.00 0.26 0.00 0.00 34.13 31.33 2e9k s GLU 96 CO 0.56 -1.04 1.11 -1.25 -0.54 0.00 0.00 175.26 174.11 2e9k s PRO 97 N 0.54 -1.55 0.23 4.30 0.04 -1.26 -5.00 135.00 132.30 2e9k s PRO 97 Ca 0.13 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 2e9k s PRO 97 Cb -0.22 -1.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2e9k s PRO 97 CO -0.05 -3.90 0.98 0.34 0.04 0.00 0.00 177.00 174.41 2e9k s ASP 98 N -3.99 7.55 0.11 6.66 2.15 -1.26 -4.97 116.67 122.91 2e9k s ASP 98 Ca 0.72 2.00 -0.08 0.00 0.43 0.00 0.00 52.55 55.62 2e9k s ASP 98 Cb -0.08 -2.61 -0.15 0.00 -0.30 0.00 0.00 42.92 39.78 2e9k s ASP 98 CO 0.56 0.07 1.25 0.07 -0.17 0.00 0.00 175.17 176.95 2e9k h LYS 99 N 4.26 0.53 0.37 4.34 2.10 -1.94 -2.98 116.57 123.25 2e9k h LYS 99 Ca -0.45 -0.58 -0.02 0.00 -2.00 0.00 0.00 60.65 57.61 2e9k h LYS 99 Cb 1.20 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2e9k h LYS 99 CO 0.68 1.20 -0.18 -0.07 -2.00 0.00 0.00 179.45 179.09 2e9k h LEU 100 N 0.30 -0.42 -1.09 7.07 -0.00 -1.95 -1.42 115.31 117.79 2e9k h LEU 100 Ca -0.10 0.01 0.28 0.00 -0.00 0.00 0.00 57.88 58.08 2e9k h LEU 100 Cb 1.64 0.11 -0.13 0.00 -0.00 0.00 0.00 40.66 42.28 2e9k h LEU 100 CO 0.18 -0.24 0.62 0.28 -0.00 0.00 0.00 178.44 179.28 2e9k h SER 101 N -0.62 0.56 -0.14 -0.43 0.02 -2.00 0.17 113.55 111.12 2e9k h SER 101 Ca -0.05 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2e9k h SER 101 Cb 0.38 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2e9k h SER 101 CO 0.08 0.02 0.05 0.24 -1.14 0.00 0.00 176.83 176.07 2e9k h MET 102 N 0.45 0.22 0.52 3.45 2.86 -1.48 -2.49 114.93 118.45 2e9k h MET 102 Ca 0.67 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 58.24 2e9k h MET 102 Cb 1.48 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.12 2e9k h MET 102 CO -0.48 0.34 -0.25 0.28 1.06 0.00 0.00 176.91 177.87 2e9k h VAL 103 N 0.05 0.00 -1.06 -2.22 2.07 0.39 -0.53 116.25 114.95 2e9k h VAL 103 Ca 0.05 -0.12 0.42 0.00 0.82 0.00 0.00 66.70 67.86 2e9k h VAL 103 Cb 0.22 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.82 2e9k h VAL 103 CO -0.00 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.18 2e9k h MET 104 N -0.82 0.04 0.42 1.57 -0.00 -1.06 0.18 114.93 115.26 2e9k h MET 104 Ca -0.07 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.61 2e9k h MET 104 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2e9k h MET 104 CO 0.12 0.02 -0.20 -0.92 -0.00 0.00 0.00 176.91 175.93 2e9k h TYR 105 N 0.04 -0.53 -0.81 -0.10 3.20 -1.33 -3.30 116.97 114.14 2e9k h TYR 105 Ca 0.84 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.89 2e9k h TYR 105 Cb 2.27 0.17 -0.13 0.00 1.54 0.00 0.00 36.73 40.58 2e9k h TYR 105 CO -0.01 -0.33 0.18 -0.07 -1.64 0.00 0.00 178.16 176.30 2e9k h LEU 106 N -1.15 -0.04 -0.95 2.82 3.38 0.68 0.90 115.31 120.96 2e9k h LEU 106 Ca -0.06 0.18 0.29 0.00 0.09 0.00 0.00 57.88 58.38 2e9k h LEU 106 Cb 0.43 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.27 2e9k h LEU 106 CO 0.10 -0.11 0.24 -1.28 0.09 0.00 0.00 178.44 177.48 2e9k h SER 107 N 0.22 -0.07 -0.80 -0.43 0.87 -0.82 0.48 113.55 113.00 2e9k h SER 107 Ca 0.48 0.24 0.19 0.00 -1.23 0.00 0.00 61.79 61.47 2e9k h SER 107 Cb 0.90 0.34 -0.13 0.00 -0.44 0.00 0.00 62.40 63.07 2e9k h SER 107 CO -0.60 -0.28 0.16 0.11 -0.53 0.00 0.00 176.83 175.69 2e9k h LYS 108 N 0.11 0.20 -0.09 2.24 1.57 -0.90 0.40 116.57 120.09 2e9k h LYS 108 Ca 0.64 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 59.16 2e9k h LYS 108 Cb 1.40 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.68 2e9k h LYS 108 CO -0.77 0.13 -0.89 0.74 -0.57 0.00 0.00 179.45 178.10 2e9k h PHE 109 N 0.21 1.06 -0.16 -1.35 0.04 -0.20 -2.37 116.94 114.16 2e9k h PHE 109 Ca 0.47 -0.51 0.04 0.00 2.80 0.00 0.00 57.97 60.77 2e9k h PHE 109 Cb 0.87 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.81 2e9k h PHE 109 CO -0.30 1.35 -0.43 -0.92 -0.60 0.00 0.00 178.31 177.40 2e9k h TYR 110 N 0.48 -1.25 -0.10 -0.55 3.20 -0.01 0.17 116.97 118.91 2e9k h TYR 110 Ca -0.08 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2e9k h TYR 110 Cb 1.52 0.57 -0.00 0.00 1.54 0.00 0.00 36.73 40.36 2e9k h TYR 110 CO 0.09 -0.48 -0.00 0.93 -1.64 0.00 0.00 178.16 177.06 2e9k h GLU 111 N -0.48 0.18 -0.51 1.82 4.39 -1.37 0.86 114.58 119.46 2e9k h GLU 111 Ca 0.08 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.82 2e9k h GLU 111 Cb 0.63 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.16 2e9k h GLU 111 CO -0.42 0.44 -0.28 1.25 -1.16 0.00 0.00 179.01 178.84 2e9k h LEU 112 N -0.11 -0.97 -0.22 1.33 5.85 -1.04 -1.71 115.31 118.44 2e9k h LEU 112 Ca 0.03 0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 2e9k h LEU 112 Cb 0.37 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2e9k h LEU 112 CO 0.01 -0.29 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.26 2e9k h PHE 113 N -0.16 0.74 -2.91 1.25 0.04 -0.67 -3.17 116.94 112.06 2e9k h PHE 113 Ca 0.22 -0.24 -0.57 0.00 2.80 0.00 0.00 57.97 60.18 2e9k h PHE 113 Cb 0.52 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 2e9k h PHE 113 CO -0.56 0.97 1.20 0.50 -0.60 0.00 0.00 178.31 179.82 2e9k s ARG 114 N -4.21 3.44 0.00 1.51 3.52 0.29 -4.29 118.95 119.20 2e9k s ARG 114 Ca -0.13 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 2e9k s ARG 114 Cb 0.07 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 2e9k s ARG 114 CO 0.82 -1.73 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 2e9k n GLY 115 N 5.29 0.95 3.27 8.12 0.00 -1.26 -4.73 105.19 116.82 2e9k n GLY 115 Ca 0.20 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9k s THR 116 N 0.00 -0.00 0.29 2.61 2.01 -1.26 -5.16 115.64 114.13 2e9k s THR 116 Ca 0.00 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 2e9k s THR 116 Cb 0.00 -0.54 0.07 0.00 0.01 0.00 0.00 72.50 72.04 2e9k s THR 116 CO 0.00 0.01 0.26 -0.81 -0.69 0.00 0.00 174.62 173.38 2e9k n PRO 117 N 3.11 -1.53 -3.85 4.92 -0.04 -1.20 -4.13 135.00 132.27 2e9k n PRO 117 Ca -0.15 -0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 62.65 2e9k n PRO 117 Cb 0.57 -0.39 -0.07 0.00 -0.04 0.00 0.00 33.50 33.57 2e9k n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2e9k n LEU 118 N 0.00 -0.70 -4.67 1.53 4.77 -1.26 -4.79 117.00 111.88 2e9k n LEU 118 Ca 0.04 -0.96 -0.38 0.00 -0.03 0.00 0.00 56.01 54.68 2e9k n LEU 118 Cb 0.14 -1.20 0.05 0.00 -2.33 0.00 0.00 43.42 40.08 2e9k n LEU 118 CO 0.10 0.30 0.72 0.54 -1.33 0.00 0.00 177.39 177.72 2e9k n ARG 119 N -3.60 1.19 -2.16 3.23 5.12 -1.26 -4.90 116.66 114.29 2e9k n ARG 119 Ca -0.19 0.45 -0.42 0.00 -1.93 0.00 0.00 57.85 55.76 2e9k n ARG 119 Cb 0.49 -2.32 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 2e9k n ARG 119 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2e9k s PRO 120 N -2.79 4.21 0.00 5.56 0.04 -1.26 -5.20 135.00 135.56 2e9k s PRO 120 Ca 0.74 2.01 0.29 0.00 0.04 0.00 0.00 61.00 64.09 2e9k s PRO 120 Cb -0.43 -3.83 1.36 0.00 0.04 0.00 0.00 34.50 31.64 2e9k s PRO 120 CO 0.48 -0.75 1.92 0.28 0.04 0.00 0.00 177.00 178.97