#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 5.83 0.34 1.61 1.04 -1.26 -4.92 113.70 116.34 2e9k s SER 2 Ca 0.00 0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.71 2e9k s SER 2 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 2e9k s SER 2 CO 0.00 -1.92 0.68 -0.94 0.98 0.00 0.00 173.24 172.04 2e9k s SER 3 N 5.78 0.11 0.00 7.02 1.04 -1.26 -5.16 113.70 121.23 2e9k s SER 3 Ca 0.60 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2e9k s SER 3 Cb -0.13 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2e9k s SER 3 CO 0.24 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.58 2e9k n GLY 4 N -0.51 -1.05 3.79 7.32 0.00 -1.26 -4.99 105.19 108.49 2e9k n GLY 4 Ca -0.05 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9k s SER 5 N -4.00 6.86 -0.35 1.61 0.15 -1.26 -5.05 113.70 111.67 2e9k s SER 5 Ca 0.00 1.02 -0.24 0.00 0.70 0.00 0.00 55.95 57.43 2e9k s SER 5 Cb 0.00 -2.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2e9k s SER 5 CO 0.00 0.19 0.81 -0.55 1.20 0.00 0.00 173.24 174.89 2e9k s SER 6 N -0.50 6.61 0.00 5.45 0.15 -1.26 -4.79 113.70 119.36 2e9k s SER 6 Ca 0.27 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2e9k s SER 6 Cb -0.17 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2e9k s SER 6 CO 0.14 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2e9k n GLY 7 N 4.40 0.59 3.65 9.45 0.00 -1.26 -5.06 105.19 116.96 2e9k n GLY 7 Ca 0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 6.61 -0.15 1.61 1.01 -1.26 -4.97 116.67 115.51 2e9k s ASP 8 Ca 0.00 2.13 -0.21 0.00 0.71 0.00 0.00 52.55 55.18 2e9k s ASP 8 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2e9k s ASP 8 CO 0.00 -0.99 0.64 -0.63 0.21 0.00 0.00 175.17 174.40 2e9k s ILE 9 N 4.28 5.04 -0.04 0.77 1.01 -1.26 -4.99 121.20 126.02 2e9k s ILE 9 Ca 0.73 1.24 -0.18 0.00 0.00 0.00 0.00 60.65 62.44 2e9k s ILE 9 Cb -0.32 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.08 2e9k s ILE 9 CO 0.29 0.17 0.76 0.03 0.00 0.00 0.00 174.94 176.19 2e9k h ARG 10 N 7.18 -0.43 0.00 2.79 3.08 -1.97 -3.18 114.38 121.85 2e9k h ARG 10 Ca -0.35 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2e9k h ARG 10 Cb 1.16 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2e9k h ARG 10 CO 0.77 -0.17 0.00 -0.35 -1.07 0.00 0.00 179.97 179.15 2e9k n PRO 11 N -5.08 0.49 -0.08 0.04 -0.04 -1.26 -3.17 135.00 125.90 2e9k n PRO 11 Ca -0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 2e9k n PRO 11 Cb 0.24 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.00 -0.02 3.54 0.87 -1.97 -3.14 113.55 112.83 2e9k h SER 12 Ca 0.00 -0.87 0.01 0.00 -1.23 0.00 0.00 61.79 59.70 2e9k h SER 12 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2e9k h SER 12 CO 0.00 1.06 -0.05 0.11 -0.53 0.00 0.00 176.83 177.42 2e9k h LYS 13 N -1.00 -0.08 -0.12 2.24 1.57 -1.70 -2.19 116.57 115.28 2e9k h LYS 13 Ca -0.06 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2e9k h LYS 13 Cb 1.01 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 2e9k h LYS 13 CO -0.04 -0.05 -0.26 1.25 -0.57 0.00 0.00 179.45 179.78 2e9k h LEU 14 N -0.08 -0.80 -0.34 2.94 5.85 -1.73 -2.36 115.31 118.80 2e9k h LEU 14 Ca 0.03 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.95 2e9k h LEU 14 Cb 0.13 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 2e9k h LEU 14 CO -0.08 -0.31 -0.27 0.25 -0.34 0.00 0.00 178.44 177.70 2e9k h LEU 15 N -0.33 -0.89 -0.63 2.25 5.85 -1.46 -1.76 115.31 118.33 2e9k h LEU 15 Ca 0.10 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2e9k h LEU 15 Cb 0.48 0.43 -0.12 0.00 0.37 0.00 0.00 40.66 41.81 2e9k h LEU 15 CO -0.31 -0.29 -0.29 0.74 -0.34 0.00 0.00 178.44 177.95 2e9k h THR 16 N -0.23 0.20 0.06 1.05 2.02 -0.89 0.13 112.91 115.24 2e9k h THR 16 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 2e9k h THR 16 Cb 0.49 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 2e9k h THR 16 CO -0.47 0.00 -0.44 -0.25 0.37 0.00 0.00 175.52 174.73 2e9k h TRP 17 N -0.11 -1.25 -0.65 3.16 7.01 -0.94 -0.86 115.95 122.31 2e9k h TRP 17 Ca 0.27 0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.41 2e9k h TRP 17 Cb 0.54 0.54 -0.08 0.00 -2.10 0.00 0.00 29.16 28.06 2e9k h TRP 17 CO -0.62 -0.52 0.25 0.00 -2.79 0.00 0.00 178.44 174.76 2e9k h GLN 19 N 0.43 0.38 -0.04 0.00 4.20 -0.04 -0.95 115.11 119.10 2e9k h GLN 19 Ca 0.34 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 2e9k h GLN 19 Cb 0.44 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2e9k h GLN 19 CO -0.33 0.25 0.02 1.96 -0.67 0.00 0.00 178.83 180.06 2e9k h GLN 20 N 0.40 0.05 -0.57 1.46 4.20 -0.11 -2.51 115.11 118.02 2e9k h GLN 20 Ca 0.26 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.06 2e9k h GLN 20 Cb 0.29 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 2e9k h GLN 20 CO -0.26 0.12 0.20 1.96 -0.67 0.00 0.00 178.83 180.18 2e9k h GLN 21 N -0.03 0.36 -1.20 1.46 1.08 -0.80 -0.48 115.11 115.51 2e9k h GLN 21 Ca 0.01 -0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 56.87 2e9k h GLN 21 Cb 0.08 -0.08 -0.16 0.00 -0.05 0.00 0.00 27.48 27.27 2e9k h GLN 21 CO -0.00 0.24 0.41 0.25 -0.95 0.00 0.00 178.83 178.78 2e9k n THR 22 N -5.02 2.50 -2.94 -0.54 -2.24 -0.40 -4.84 114.28 100.80 2e9k n THR 22 Ca 0.08 -1.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.07 2e9k n THR 22 Cb 0.26 -0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 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 4.30 0.00 -0.78 2.12 -0.19 -3.89 118.70 118.34 2e9k s GLU 23 Ca 0.33 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.61 2e9k s GLU 23 Cb 0.27 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2e9k s GLU 23 CO 0.03 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 2e9k n GLY 24 N 3.47 3.10 2.89 -1.50 0.00 -1.26 -5.06 105.19 106.83 2e9k n GLY 24 Ca 0.03 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.45 -3.53 1.61 4.02 -1.25 -4.94 117.16 109.61 2e9k n TYR 25 Ca 0.00 0.25 -0.25 0.00 -0.01 0.00 0.00 57.90 57.89 2e9k n TYR 25 Cb 0.00 -1.46 -0.02 0.00 -0.02 0.00 0.00 39.34 37.84 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 -1.26 3.51 -0.25 -0.72 -1.52 -1.26 -4.23 119.66 113.93 2e9k s GLN 26 Ca 0.46 -0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.54 2e9k s GLN 26 Cb -0.35 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 29.70 2e9k s GLN 26 CO 0.66 0.27 0.00 0.72 -0.25 0.00 0.00 175.29 176.69 2e9k n HIS 27 N -1.28 -1.65 -3.83 0.91 8.25 -1.26 -4.84 115.22 111.52 2e9k n HIS 27 Ca -0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.11 2e9k n HIS 27 Cb 0.55 -1.39 -0.14 0.00 1.12 0.00 0.00 29.99 30.14 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 -1.94 1.77 -0.57 1.59 1.01 -1.26 -5.06 120.40 115.95 2e9k s VAL 28 Ca 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 61.98 59.38 2e9k s VAL 28 Cb 0.00 -2.26 0.15 0.00 0.00 0.00 0.00 36.38 34.27 2e9k s VAL 28 CO 0.00 -0.79 0.40 0.21 0.00 0.00 0.00 175.10 174.92 2e9k s ASN 29 N 0.47 5.49 -0.59 3.32 3.84 -1.26 -4.85 114.94 121.36 2e9k s ASN 29 Ca 0.15 -2.46 -0.27 0.00 0.21 0.00 0.00 52.86 50.49 2e9k s ASN 29 Cb -0.23 -1.92 0.03 0.00 -0.55 0.00 0.00 41.25 38.59 2e9k s ASN 29 CO -0.05 -0.50 1.11 -0.69 -2.79 0.00 0.00 177.10 174.18 2e9k s VAL 30 N 0.52 4.13 -0.09 -5.21 1.01 -1.26 -4.79 120.40 114.70 2e9k s VAL 30 Ca 0.13 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2e9k s VAL 30 Cb -0.21 -4.68 -0.07 0.00 0.00 0.00 0.00 36.38 31.42 2e9k s VAL 30 CO -0.04 -1.31 -0.07 0.35 0.00 0.00 0.00 175.10 174.04 2e9k n THR 31 N 6.47 0.55 -4.68 3.92 -2.24 -1.26 -4.92 114.28 112.12 2e9k n THR 31 Ca 0.05 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 2e9k n THR 31 Cb 0.48 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 -4.77 3.68 -0.23 3.42 1.01 -1.26 -5.06 116.67 113.46 2e9k s ASP 32 Ca -0.11 -1.69 0.13 0.00 0.71 0.00 0.00 52.55 51.58 2e9k s ASP 32 Cb 0.03 0.59 0.48 0.00 1.01 0.00 0.00 42.92 45.02 2e9k s ASP 32 CO 0.24 -0.92 1.39 0.18 0.21 0.00 0.00 175.17 176.27 2e9k n LEU 33 N -1.16 3.68 0.03 1.23 4.77 -1.26 -4.17 117.00 120.11 2e9k n LEU 33 Ca -0.15 -3.48 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 2e9k n LEU 33 Cb 0.66 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2e9k n LEU 33 CO 0.36 1.03 -0.22 0.35 -1.33 0.00 0.00 177.39 177.59 2e9k n THR 34 N -0.99 0.31 0.06 -5.08 -2.24 -1.26 -4.79 114.28 100.29 2e9k n THR 34 Ca 0.26 0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.92 2e9k n THR 34 Cb 0.91 -1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 67.78 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 1.17 -1.02 4.28 1.35 -1.88 -3.27 112.91 113.54 2e9k h THR 35 Ca 0.00 -2.51 0.28 0.00 -0.55 0.00 0.00 66.41 63.63 2e9k h THR 35 Cb 0.43 2.90 -0.06 0.00 -1.73 0.00 0.00 68.15 69.70 2e9k h THR 35 CO 0.00 0.76 0.71 0.28 -0.25 0.00 0.00 175.52 177.02 2e9k h SER 36 N -0.15 0.16 -0.71 5.36 0.02 -1.90 0.34 113.55 116.68 2e9k h SER 36 Ca -0.27 0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.24 2e9k h SER 36 Cb 1.89 -0.00 -0.28 0.00 0.14 0.00 0.00 62.40 64.15 2e9k h SER 36 CO 0.15 0.04 -0.00 0.79 -1.14 0.00 0.00 176.83 176.67 2e9k n TRP 37 N -4.36 2.37 -0.03 3.45 7.02 -1.25 -3.56 117.44 121.08 2e9k n TRP 37 Ca 0.22 -2.23 -0.12 0.00 -1.02 0.00 0.00 57.50 54.35 2e9k n TRP 37 Cb 0.99 -0.75 -0.14 0.00 -2.42 0.00 0.00 31.31 28.99 2e9k n TRP 37 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2e9k n ARG 38 N -0.94 0.67 -0.08 -0.99 1.85 0.12 -4.43 116.66 112.87 2e9k n ARG 38 Ca 0.47 0.26 -0.17 0.00 -1.00 0.00 0.00 57.85 57.41 2e9k n ARG 38 Cb 0.95 -1.74 -0.13 0.00 -1.05 0.00 0.00 32.46 30.49 2e9k n ARG 38 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2e9k n SER 39 N -3.14 1.60 0.00 2.89 2.88 -1.26 -3.43 113.62 113.16 2e9k n SER 39 Ca -0.23 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2e9k n SER 39 Cb 1.06 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 2e9k n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9k n GLY 40 N 2.04 2.60 0.31 0.46 0.00 -1.26 -2.90 105.19 106.42 2e9k n GLY 40 Ca -0.37 -0.64 0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 0.11 0.05 0.99 4.77 -1.26 -0.32 117.00 121.35 2e9k n LEU 41 Ca 0.00 1.54 -0.10 0.00 -0.03 0.00 0.00 56.01 57.42 2e9k n LEU 41 Cb 0.00 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 2e9k n LEU 41 CO 0.00 -1.65 0.51 0.00 -1.33 0.00 0.00 177.39 174.92 2e9k h ALA 42 N 1.84 -0.81 0.29 -1.18 0.00 -1.94 0.49 119.26 117.96 2e9k h ALA 42 Ca 0.67 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2e9k h ALA 42 Cb 1.62 0.75 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2e9k h ALA 42 CO -0.78 -0.90 -0.14 1.25 0.00 0.00 0.00 179.25 178.68 2e9k h LEU 43 N -0.44 -0.33 -1.46 0.00 5.85 -1.12 -2.92 115.31 114.88 2e9k h LEU 43 Ca 0.00 -0.15 0.42 0.00 0.84 0.00 0.00 57.88 58.99 2e9k h LEU 43 Cb 0.46 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.46 2e9k h LEU 43 CO -0.20 -0.03 0.87 0.00 -0.34 0.00 0.00 178.44 178.74 2e9k h ALA 45 N 1.56 -1.33 -0.71 0.00 0.00 -0.69 0.48 119.26 118.56 2e9k h ALA 45 Ca 0.79 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.51 2e9k h ALA 45 Cb 2.52 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 20.69 2e9k h ALA 45 CO -0.36 -1.24 -0.53 0.82 0.00 0.00 0.00 179.25 177.93 2e9k h ILE 46 N -1.24 0.02 0.20 0.00 2.04 -1.00 0.34 117.51 117.87 2e9k h ILE 46 Ca -0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2e9k h ILE 46 Cb 0.95 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2e9k h ILE 46 CO 0.20 0.00 -0.13 0.40 0.00 0.00 0.00 178.15 178.62 2e9k h ILE 47 N -0.19 0.00 -1.28 -0.67 2.04 -1.51 -2.17 117.51 113.74 2e9k h ILE 47 Ca 0.15 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.38 2e9k h ILE 47 Cb 0.52 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2e9k h ILE 47 CO -0.77 0.00 1.14 -0.74 0.00 0.00 0.00 178.15 177.78 2e9k h HIS 48 N -0.32 0.00 0.70 1.37 2.76 -0.59 0.16 115.15 119.23 2e9k h HIS 48 Ca -0.03 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 2e9k h HIS 48 Cb 0.25 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.22 2e9k h HIS 48 CO 0.03 0.00 -0.34 -0.09 -1.30 0.00 0.00 177.93 176.24 2e9k h ARG 49 N 0.00 -0.91 0.05 5.26 1.12 0.32 -2.11 114.38 118.12 2e9k h ARG 49 Ca 0.61 0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 59.54 2e9k h ARG 49 Cb 2.89 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 33.06 2e9k h ARG 49 CO -0.01 -0.61 -0.03 0.74 -3.11 0.00 0.00 179.97 176.96 2e9k h PHE 50 N -1.15 -0.07 -3.10 2.20 -1.00 -0.63 -3.40 116.94 109.79 2e9k h PHE 50 Ca -0.10 -0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.06 2e9k h PHE 50 Cb 0.72 0.02 -0.40 0.00 3.61 0.00 0.00 35.95 39.90 2e9k h PHE 50 CO 0.02 0.40 -0.70 1.03 -1.61 0.00 0.00 178.31 177.44 2e9k s ARG 51 N -4.20 1.53 0.02 1.51 3.00 0.29 -4.94 118.95 116.16 2e9k s ARG 51 Ca -0.15 -2.24 0.15 0.00 0.00 0.00 0.00 55.73 53.48 2e9k s ARG 51 Cb 0.02 -2.66 0.62 0.00 0.00 0.00 0.00 34.95 32.93 2e9k s ARG 51 CO 0.64 -1.15 1.47 -0.35 0.00 0.00 0.00 175.30 175.90 2e9k n PRO 52 N 3.35 0.01 0.24 3.54 -0.04 -0.79 -2.34 135.00 138.96 2e9k n PRO 52 Ca 0.08 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 2e9k n PRO 52 Cb 0.34 -1.52 0.40 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.00 0.12 0.54 4.11 -1.92 -3.20 114.58 114.22 2e9k h GLU 53 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 2e9k h GLU 53 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2e9k h GLU 53 CO 0.00 0.00 -1.74 -0.07 0.07 0.00 0.00 179.01 177.27 2e9k h LEU 54 N 0.00 0.39 -7.87 3.06 3.38 -1.85 -3.47 115.31 108.95 2e9k h LEU 54 Ca 0.00 -0.67 -0.36 0.00 0.09 0.00 0.00 57.88 56.94 2e9k h LEU 54 Cb 0.77 -0.13 -0.30 0.00 0.09 0.00 0.00 40.66 41.09 2e9k h LEU 54 CO 0.00 1.58 -0.76 -0.63 0.09 0.00 0.00 178.44 178.72 2e9k s ILE 55 N -2.59 0.48 -0.93 1.22 1.01 -1.21 -5.03 121.20 114.15 2e9k s ILE 55 Ca -0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2e9k s ILE 55 Cb 0.07 -0.44 0.23 0.00 0.01 0.00 0.00 42.46 42.33 2e9k s ILE 55 CO 0.83 0.16 0.86 -3.20 0.00 0.00 0.00 174.94 173.58 2e9k n ASN 56 N 3.26 4.46 -0.16 3.58 2.85 -1.26 -4.57 115.26 123.42 2e9k n ASN 56 Ca -0.17 -3.13 -0.11 0.00 -0.11 0.00 0.00 54.58 51.06 2e9k n ASN 56 Cb 0.56 -1.10 -0.06 0.00 1.24 0.00 0.00 39.78 40.42 2e9k n ASN 56 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2e9k h PHE 57 N 6.02 -1.40 -1.32 1.20 3.04 -1.90 0.27 116.94 122.85 2e9k h PHE 57 Ca 0.17 0.08 0.43 0.00 3.98 0.00 0.00 57.97 62.63 2e9k h PHE 57 Cb 0.81 0.68 -0.11 0.00 2.56 0.00 0.00 35.95 39.89 2e9k h PHE 57 CO 0.73 -0.45 0.88 -0.40 -2.02 0.00 0.00 178.31 177.05 2e9k n ASP 58 N -5.40 0.14 -0.05 0.41 5.75 -1.26 0.97 116.55 117.11 2e9k n ASP 58 Ca -0.01 1.11 -0.17 0.00 -0.01 0.00 0.00 54.79 55.71 2e9k n ASP 58 Cb 0.35 -0.55 -0.13 0.00 -1.03 0.00 0.00 41.12 39.76 2e9k n ASP 58 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2e9k h SER 59 N 0.00 0.12 -1.22 -1.12 0.87 -0.93 -3.45 113.55 107.83 2e9k h SER 59 Ca 0.77 -0.88 -0.68 0.00 -1.23 0.00 0.00 61.79 59.77 2e9k h SER 59 Cb 2.65 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 64.56 2e9k h SER 59 CO -0.31 1.23 1.31 0.18 -0.53 0.00 0.00 176.83 178.72 2e9k n LEU 60 N -4.42 2.26 -4.63 2.23 4.77 0.27 -4.94 117.00 112.55 2e9k n LEU 60 Ca -0.17 0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.06 2e9k n LEU 60 Cb 0.62 -1.25 -0.10 0.00 -2.33 0.00 0.00 43.42 40.37 2e9k n LEU 60 CO 0.34 -0.63 -0.36 0.21 -1.33 0.00 0.00 177.39 175.62 2e9k s ASN 61 N 6.45 4.79 0.14 -1.43 2.47 -1.26 -4.93 114.94 121.17 2e9k s ASN 61 Ca 1.07 -0.14 -0.20 0.00 0.42 0.00 0.00 52.86 54.01 2e9k s ASN 61 Cb -0.89 -1.14 0.03 0.00 -1.45 0.00 0.00 41.25 37.80 2e9k s ASN 61 CO 0.52 0.26 1.16 1.21 -3.72 0.00 0.00 177.10 176.53 2e9k n GLU 62 N 1.29 -0.28 -0.32 0.43 2.13 -1.26 0.19 120.64 122.83 2e9k n GLU 62 Ca -0.14 1.14 0.19 0.00 0.66 0.00 0.00 57.16 59.01 2e9k n GLU 62 Cb 0.52 -1.68 0.38 0.00 0.27 0.00 0.00 31.44 30.94 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2e9k h ASP 63 N 0.00 0.19 0.00 4.31 1.82 -2.00 0.17 116.42 120.91 2e9k h ASP 63 Ca 0.17 0.21 -0.08 0.00 -0.39 0.00 0.00 57.03 56.94 2e9k h ASP 63 Cb 0.36 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 2e9k h ASP 63 CO -0.72 -0.19 -0.15 0.47 -1.61 0.00 0.00 179.24 177.04 2e9k n ASP 64 N -5.18 5.26 0.46 2.28 8.00 0.51 -4.49 116.55 123.39 2e9k n ASP 64 Ca 0.27 -2.43 -0.18 0.00 0.71 0.00 0.00 54.79 53.16 2e9k n ASP 64 Cb 0.85 -1.24 -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 1.83 -1.17 -0.76 2.24 0.00 -0.73 0.18 119.26 120.85 2e9k h ALA 65 Ca 0.08 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2e9k h ALA 65 Cb 1.20 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 2e9k h ALA 65 CO 0.09 -1.10 0.10 0.28 0.00 0.00 0.00 179.25 178.62 2e9k h VAL 66 N -1.30 0.40 -0.25 0.00 2.07 -1.79 -0.12 116.25 115.26 2e9k h VAL 66 Ca -0.12 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2e9k h VAL 66 Cb 0.90 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2e9k h VAL 66 CO 0.20 0.03 -0.02 -0.33 0.02 0.00 0.00 177.57 177.46 2e9k h GLU 67 N 0.17 0.46 -0.81 1.57 4.39 -1.87 -2.06 114.58 116.42 2e9k h GLU 67 Ca 0.43 -0.16 0.15 0.00 0.34 0.00 0.00 59.36 60.12 2e9k h GLU 67 Cb 0.77 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.28 2e9k h GLU 67 CO -0.60 0.65 0.38 -0.91 -1.16 0.00 0.00 179.01 177.37 2e9k h ASN 68 N 0.22 0.42 0.54 1.42 2.35 0.11 0.22 115.58 120.86 2e9k h ASN 68 Ca 0.07 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 2e9k h ASN 68 Cb 0.46 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.88 2e9k h ASN 68 CO 0.02 0.16 -0.26 0.78 -1.65 0.00 0.00 177.43 176.48 2e9k h ASN 69 N 0.54 -0.62 -1.01 5.81 2.35 -1.05 -2.89 115.58 118.71 2e9k h ASN 69 Ca 0.45 0.02 0.25 0.00 -0.55 0.00 0.00 56.30 56.47 2e9k h ASN 69 Cb 0.66 0.16 -0.12 0.00 0.05 0.00 0.00 38.32 39.07 2e9k h ASN 69 CO -0.39 -0.25 0.60 1.56 -1.65 0.00 0.00 177.43 177.31 2e9k h GLN 70 N -1.12 0.55 0.17 0.81 1.08 -1.10 -1.91 115.11 113.59 2e9k h GLN 70 Ca -0.07 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2e9k h GLN 70 Cb 0.56 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2e9k h GLN 70 CO 0.12 0.36 -0.12 1.25 -0.95 0.00 0.00 178.83 179.49 2e9k h LEU 71 N 0.56 -0.31 -0.85 1.46 5.85 -0.58 -0.10 115.31 121.34 2e9k h LEU 71 Ca 0.64 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.59 2e9k h LEU 71 Cb 1.26 0.10 -0.15 0.00 0.37 0.00 0.00 40.66 42.23 2e9k h LEU 71 CO -0.47 -0.18 0.03 0.00 -0.34 0.00 0.00 178.44 177.49 2e9k h ALA 72 N -1.67 0.95 -0.10 1.25 0.00 -1.21 0.16 119.26 118.64 2e9k h ALA 72 Ca -0.02 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2e9k h ALA 72 Cb 0.23 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2e9k h ALA 72 CO 0.01 -0.47 -0.05 0.74 0.00 0.00 0.00 179.25 179.48 2e9k h PHE 73 N 0.09 -0.12 -0.60 0.00 0.04 -1.19 0.18 116.94 115.34 2e9k h PHE 73 Ca 0.49 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.29 2e9k h PHE 73 Cb 0.92 0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.10 2e9k h PHE 73 CO -0.44 -0.09 0.37 0.22 -0.60 0.00 0.00 178.31 177.77 2e9k h ASP 74 N -0.05 0.60 -0.63 2.17 3.58 0.12 0.27 116.42 122.48 2e9k h ASP 74 Ca 0.06 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2e9k h ASP 74 Cb 0.13 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2e9k h ASP 74 CO -0.13 0.42 0.13 0.58 -2.88 0.00 0.00 179.24 177.36 2e9k h VAL 75 N 0.72 1.26 0.00 2.25 2.07 -0.52 0.21 116.25 122.23 2e9k h VAL 75 Ca 0.24 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2e9k h VAL 75 Cb 0.01 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2e9k h VAL 75 CO -0.10 0.37 -0.25 0.00 0.02 0.00 0.00 177.57 177.61 2e9k h ALA 76 N 1.15 1.02 0.00 1.67 0.00 -0.10 0.22 119.26 123.22 2e9k h ALA 76 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2e9k h ALA 76 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2e9k h ALA 76 CO 0.01 0.31 -1.00 -1.91 0.00 0.00 0.00 179.25 176.66 2e9k n GLU 77 N -3.42 0.25 -0.09 0.00 2.13 0.03 -0.34 120.64 119.22 2e9k n GLU 77 Ca 0.00 -0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2e9k n GLU 77 Cb 0.44 -1.58 -0.16 0.00 0.27 0.00 0.00 31.44 30.41 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 -1.91 0.76 -0.10 5.31 3.00 0.68 -3.54 116.66 120.87 2e9k n ARG 78 Ca 0.02 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.85 57.66 2e9k n ARG 78 Cb 0.42 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.32 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2e9k n GLU 79 N -2.68 0.51 0.12 -0.14 -0.58 0.73 -4.60 120.64 114.01 2e9k n GLU 79 Ca -0.29 0.22 0.12 0.00 -0.42 0.00 0.00 57.16 56.78 2e9k n GLU 79 Cb 1.08 -1.38 0.13 0.00 -0.57 0.00 0.00 31.44 30.70 2e9k n GLU 79 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2e9k h PHE 80 N -0.91 0.00 -1.51 -0.32 0.04 -1.55 -3.48 116.94 109.21 2e9k h PHE 80 Ca -0.34 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.23 2e9k h PHE 80 Cb 1.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 2e9k h PHE 80 CO -0.23 0.00 -0.26 0.41 -0.60 0.00 0.00 178.31 177.62 2e9k n GLY 81 N 1.21 -0.05 3.62 -1.45 0.00 0.54 -4.93 105.19 104.14 2e9k n GLY 81 Ca 0.02 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.53 5.31 0.14 -0.61 1.01 0.30 -4.88 121.20 119.95 2e9k s ILE 82 Ca 0.01 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 2e9k s ILE 82 Cb -0.00 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 2e9k s ILE 82 CO 0.01 0.28 1.34 -2.16 0.00 0.00 0.00 174.94 174.41 2e9k s PRO 83 N 1.52 4.36 0.43 2.79 0.04 -1.26 -3.41 135.00 139.46 2e9k s PRO 83 Ca 0.08 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 2e9k s PRO 83 Cb -0.15 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2e9k s PRO 83 CO 0.08 -0.35 1.18 -1.25 0.04 0.00 0.00 177.00 176.70 2e9k s PRO 84 N 0.65 3.92 -0.09 0.56 0.04 -1.26 -4.98 135.00 133.84 2e9k s PRO 84 Ca 0.61 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.28 2e9k s PRO 84 Cb -0.36 -2.57 -0.28 0.00 0.04 0.00 0.00 34.50 31.33 2e9k s PRO 84 CO 0.33 -0.43 0.71 -0.39 0.04 0.00 0.00 177.00 177.26 2e9k h VAL 85 N 2.15 1.34 -2.78 -0.36 -1.51 -1.94 -3.48 116.25 109.66 2e9k h VAL 85 Ca -0.49 -2.44 -0.47 0.00 -1.23 0.00 0.00 66.70 62.07 2e9k h VAL 85 Cb 1.24 2.98 -0.14 0.00 -2.13 0.00 0.00 31.29 33.25 2e9k h VAL 85 CO 0.62 0.67 -0.64 0.28 -1.23 0.00 0.00 177.57 177.27 2e9k s THR 86 N -2.41 1.36 -0.02 7.19 -1.32 -1.26 -5.14 115.64 114.04 2e9k s THR 86 Ca -0.18 -2.05 -0.14 0.00 -1.21 0.00 0.00 61.69 58.11 2e9k s THR 86 Cb 0.02 -2.62 -0.05 0.00 -1.51 0.00 0.00 72.50 68.33 2e9k s THR 86 CO 0.77 -0.15 0.39 0.42 -2.21 0.00 0.00 174.62 173.84 2e9k s THR 87 N -3.19 5.08 0.25 5.08 -4.23 -1.26 -4.93 115.64 112.45 2e9k s THR 87 Ca 0.33 0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 61.56 2e9k s THR 87 Cb 0.07 -3.69 0.41 0.00 1.34 0.00 0.00 72.50 70.63 2e9k s THR 87 CO 0.13 0.56 1.41 0.61 -0.54 0.00 0.00 174.62 176.79 2e9k n GLY 88 N 1.95 -1.49 0.31 3.99 0.00 -1.26 -0.66 105.19 108.03 2e9k n GLY 88 Ca -0.14 0.96 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.40 -0.61 1.61 1.79 -1.94 -0.68 116.57 116.34 2e9k h LYS 89 Ca 0.44 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 59.01 2e9k h LYS 89 Cb 0.69 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.37 2e9k h LYS 89 CO -0.92 -0.27 0.27 1.49 -1.08 0.00 0.00 179.45 178.94 2e9k h GLU 90 N -0.42 0.48 -0.53 3.15 4.81 -1.41 0.24 114.58 120.91 2e9k h GLU 90 Ca 0.01 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2e9k h GLU 90 Cb 0.46 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 2e9k h GLU 90 CO -0.26 0.32 -0.19 1.98 -0.73 0.00 0.00 179.01 180.14 2e9k h MET 91 N 0.50 -0.06 -0.13 1.92 4.05 -0.23 0.40 114.93 121.39 2e9k h MET 91 Ca 0.29 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.50 2e9k h MET 91 Cb 0.29 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2e9k h MET 91 CO -0.25 -0.04 -0.79 0.00 0.23 0.00 0.00 176.91 176.07 2e9k h ALA 92 N 1.38 0.37 0.53 0.39 0.00 -0.54 -3.34 119.26 118.04 2e9k h ALA 92 Ca 0.25 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2e9k h ALA 92 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2e9k h ALA 92 CO -0.58 0.70 -0.27 0.77 0.00 0.00 0.00 179.25 179.88 2e9k h SER 93 N 0.47 -0.65 -1.58 0.00 0.02 0.60 -3.42 113.55 109.01 2e9k h SER 93 Ca -0.05 0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 60.23 2e9k h SER 93 Cb 1.40 0.17 0.01 0.00 0.14 0.00 0.00 62.40 64.13 2e9k h SER 93 CO 0.16 -0.44 1.07 0.00 -1.14 0.00 0.00 176.83 176.47 2e9k n ALA 94 N -2.39 0.37 -0.13 3.77 0.00 0.13 -4.85 120.51 117.41 2e9k n ALA 94 Ca -0.09 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 2e9k n ALA 94 Cb 0.29 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 2e9k n ALA 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2e9k h GLN 95 N 8.84 0.62 -3.33 0.00 3.07 -1.87 -3.39 115.11 119.04 2e9k h GLN 95 Ca -0.43 -0.14 -0.59 0.00 0.09 0.00 0.00 58.65 57.58 2e9k h GLN 95 Cb 1.31 -0.09 -0.40 0.00 0.08 0.00 0.00 27.48 28.38 2e9k h GLN 95 CO 0.97 0.63 -0.76 -2.00 0.09 0.00 0.00 178.83 177.77 2e9k s GLU 96 N -5.36 0.88 1.13 0.06 2.12 -1.26 -4.84 118.70 111.41 2e9k s GLU 96 Ca -0.13 -1.37 -0.16 0.00 0.36 0.00 0.00 54.97 53.66 2e9k s GLU 96 Cb 0.10 -2.05 0.25 0.00 0.26 0.00 0.00 34.13 32.69 2e9k s GLU 96 CO 0.76 -1.05 1.10 -1.25 -0.54 0.00 0.00 175.26 174.28 2e9k s PRO 97 N 1.20 -0.61 -0.59 4.30 0.04 -1.26 -4.93 135.00 133.16 2e9k s PRO 97 Ca 0.13 0.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.05 2e9k s PRO 97 Cb -0.20 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2e9k s PRO 97 CO -0.16 -3.35 1.44 0.34 0.04 0.00 0.00 177.00 175.31 2e9k s ASP 98 N -3.71 6.06 0.33 6.66 2.15 -1.26 -4.87 116.67 122.04 2e9k s ASP 98 Ca 0.69 0.20 0.18 0.00 0.43 0.00 0.00 52.55 54.05 2e9k s ASP 98 Cb -0.13 -2.55 1.18 0.00 -0.30 0.00 0.00 42.92 41.12 2e9k s ASP 98 CO 0.57 -1.78 1.41 1.17 -0.17 0.00 0.00 175.17 176.37 2e9k n LYS 99 N 8.79 -0.05 0.15 4.34 4.81 -1.26 -0.81 118.16 134.12 2e9k n LYS 99 Ca 0.12 1.24 -0.06 0.00 -0.87 0.00 0.00 58.31 58.74 2e9k n LYS 99 Cb 0.49 -2.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.32 -1.05 3.14 -0.00 -1.95 -0.69 115.31 114.44 2e9k h LEU 100 Ca 0.75 0.01 0.40 0.00 -0.00 0.00 0.00 57.88 59.04 2e9k h LEU 100 Cb 1.96 0.08 -0.15 0.00 -0.00 0.00 0.00 40.66 42.56 2e9k h LEU 100 CO -0.70 -0.21 0.62 -1.20 -0.00 0.00 0.00 178.44 176.95 2e9k n SER 101 N -3.13 0.27 -0.04 -0.43 7.64 0.01 0.15 113.62 118.09 2e9k n SER 101 Ca -0.05 1.41 -0.15 0.00 1.01 0.00 0.00 58.87 61.09 2e9k n SER 101 Cb 0.15 -0.69 -0.09 0.00 -1.01 0.00 0.00 64.21 62.57 2e9k n SER 101 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2e9k h MET 102 N 0.00 0.36 0.50 1.43 2.86 -1.26 -3.04 114.93 115.76 2e9k h MET 102 Ca 0.78 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 58.13 2e9k h MET 102 Cb 2.26 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.97 2e9k h MET 102 CO -0.59 0.89 -0.24 0.28 1.06 0.00 0.00 176.91 178.31 2e9k h VAL 103 N -0.11 0.48 -1.11 -2.22 2.07 0.30 0.53 116.25 116.19 2e9k h VAL 103 Ca -0.01 -0.24 0.31 0.00 0.82 0.00 0.00 66.70 67.58 2e9k h VAL 103 Cb 0.92 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 2e9k h VAL 103 CO 0.06 0.04 0.72 0.00 0.02 0.00 0.00 177.57 178.41 2e9k h MET 104 N -0.82 0.29 0.12 1.57 -0.00 -0.74 0.13 114.93 115.47 2e9k h MET 104 Ca -0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.61 2e9k h MET 104 Cb 0.58 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2e9k h MET 104 CO 0.11 0.19 -0.06 -0.92 -0.00 0.00 0.00 176.91 176.24 2e9k h TYR 105 N 0.30 -0.15 -0.78 -0.10 3.20 -1.38 -3.34 116.97 114.72 2e9k h TYR 105 Ca 0.65 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.70 2e9k h TYR 105 Cb 1.81 0.05 -0.13 0.00 1.54 0.00 0.00 36.73 40.00 2e9k h TYR 105 CO -0.00 0.04 0.13 -0.07 -1.64 0.00 0.00 178.16 176.61 2e9k h LEU 106 N -1.02 -0.13 -0.85 2.82 3.38 -0.10 0.13 115.31 119.54 2e9k h LEU 106 Ca -0.02 0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.33 2e9k h LEU 106 Cb 0.25 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.12 2e9k h LEU 106 CO 0.03 -0.13 -0.10 0.28 0.09 0.00 0.00 178.44 178.61 2e9k h SER 107 N 0.19 -0.60 -0.79 -0.43 0.02 -0.90 0.13 113.55 111.17 2e9k h SER 107 Ca 0.45 0.24 0.14 0.00 -0.84 0.00 0.00 61.79 61.79 2e9k h SER 107 Cb 0.83 0.47 -0.14 0.00 0.14 0.00 0.00 62.40 63.69 2e9k h SER 107 CO -0.61 -0.27 -0.28 0.11 -1.14 0.00 0.00 176.83 174.64 2e9k h LYS 108 N 0.03 -0.05 -0.13 3.45 1.57 -1.07 0.34 116.57 120.71 2e9k h LYS 108 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2e9k h LYS 108 Cb 0.78 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2e9k h LYS 108 CO -0.83 -0.03 0.04 0.74 -0.57 0.00 0.00 179.45 178.81 2e9k h PHE 109 N -0.05 0.21 -0.55 -1.35 0.04 -0.86 -1.69 116.94 112.69 2e9k h PHE 109 Ca 0.34 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.14 2e9k h PHE 109 Cb 0.59 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.60 2e9k h PHE 109 CO -0.69 0.32 -0.45 -0.92 -0.60 0.00 0.00 178.31 175.97 2e9k h TYR 110 N 0.04 -1.42 0.47 -0.55 5.03 -0.23 0.29 116.97 120.60 2e9k h TYR 110 Ca 0.04 0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 2e9k h TYR 110 Cb 0.21 0.69 0.00 0.00 1.55 0.00 0.00 36.73 39.18 2e9k h TYR 110 CO -0.00 -0.34 -0.23 0.93 -1.32 0.00 0.00 178.16 177.20 2e9k h GLU 111 N -0.16 -0.61 -0.37 1.82 5.08 -1.36 0.23 114.58 119.22 2e9k h GLU 111 Ca 0.09 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2e9k h GLU 111 Cb 0.40 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2e9k h GLU 111 CO -0.60 -0.40 -0.34 1.25 -1.00 0.00 0.00 179.01 177.92 2e9k h LEU 112 N -0.64 -1.19 0.14 1.33 5.85 -0.61 -2.15 115.31 118.04 2e9k h LEU 112 Ca -0.06 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2e9k h LEU 112 Cb 0.49 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2e9k h LEU 112 CO 0.11 -0.21 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.65 2e9k h PHE 113 N -0.16 -0.23 -1.52 1.25 0.04 -0.46 -3.38 116.94 112.48 2e9k h PHE 113 Ca 0.06 -0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.42 2e9k h PHE 113 Cb 0.32 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2e9k h PHE 113 CO -0.79 -0.14 1.35 0.50 -0.60 0.00 0.00 178.31 178.63 2e9k s ARG 114 N -6.16 2.18 -0.00 1.51 3.52 0.82 -4.81 118.95 116.01 2e9k s ARG 114 Ca -0.14 1.04 -0.22 0.00 -0.13 0.00 0.00 55.73 56.27 2e9k s ARG 114 Cb 0.06 -4.58 -0.19 0.00 -1.56 0.00 0.00 34.95 28.67 2e9k s ARG 114 CO 0.65 -3.29 1.20 0.78 -0.81 0.00 0.00 175.30 173.83 2e9k h GLY 115 N 19.13 0.28 -3.97 8.12 0.00 -1.76 -3.44 103.07 121.44 2e9k h GLY 115 Ca -0.20 -0.37 -0.60 0.00 0.00 0.00 0.00 47.33 46.16 2e9k h GLY 115 CO 1.16 0.33 -0.16 -1.30 0.00 0.00 0.00 176.54 176.58 2e9k n THR 116 N -4.54 2.07 -2.13 4.70 -2.24 -1.26 -4.85 114.28 106.04 2e9k n THR 116 Ca -0.08 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 2e9k n THR 116 Cb 0.43 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 2e9k n THR 116 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2e9k s PRO 117 N -1.72 3.95 0.64 -0.78 0.04 -1.26 -4.97 135.00 130.91 2e9k s PRO 117 Ca 0.63 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 2e9k s PRO 117 Cb -0.61 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 29.87 2e9k s PRO 117 CO 0.57 -1.10 0.45 1.47 0.04 0.00 0.00 177.00 178.44 2e9k n LEU 118 N 7.85 0.37 -4.67 -3.56 -0.00 -1.26 -4.87 117.00 110.87 2e9k n LEU 118 Ca 0.18 0.66 -0.43 0.00 -0.00 0.00 0.00 56.01 56.42 2e9k n LEU 118 Cb 0.45 -1.16 -0.02 0.00 -0.00 0.00 0.00 43.42 42.68 2e9k n LEU 118 CO 0.63 -3.26 1.02 -0.13 -0.00 0.00 0.00 177.39 175.66 2e9k s ARG 119 N -2.30 4.26 0.41 1.47 0.52 -1.26 -5.01 118.95 117.04 2e9k s ARG 119 Ca 0.66 1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 57.22 2e9k s ARG 119 Cb -0.40 -3.70 -0.08 0.00 0.52 0.00 0.00 34.95 31.28 2e9k s ARG 119 CO 0.57 -0.64 1.19 -1.25 0.02 0.00 0.00 175.30 175.19 2e9k s PRO 120 N 3.19 4.01 0.00 3.54 0.04 -1.26 -5.34 135.00 139.17 2e9k s PRO 120 Ca 0.53 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2e9k s PRO 120 Cb -0.21 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2e9k s PRO 120 CO 0.14 -0.37 0.35 1.55 0.04 0.00 0.00 177.00 178.72