#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 0.04 -0.27 1.61 1.04 -1.26 -5.08 113.70 109.78 2e9k s SER 2 Ca 0.00 -1.04 -0.09 0.00 0.48 0.00 0.00 55.95 55.30 2e9k s SER 2 Cb 0.00 0.78 -0.14 0.00 0.10 0.00 0.00 66.02 66.76 2e9k s SER 2 CO 0.00 -1.52 -0.29 -1.54 0.98 0.00 0.00 173.24 170.87 2e9k n SER 3 N -1.10 1.97 -0.01 7.02 3.41 -1.26 -5.12 113.62 118.53 2e9k n SER 3 Ca -0.06 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2e9k n SER 3 Cb 0.60 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2e9k n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9k n GLY 4 N 1.57 1.35 0.26 5.00 0.00 -1.26 -5.05 105.19 107.05 2e9k n GLY 4 Ca -0.51 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 2e9k n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e9k n SER 5 N -0.01 1.72 -4.44 1.61 3.41 -1.26 -4.96 113.62 109.68 2e9k n SER 5 Ca 0.00 0.25 -0.34 0.00 -0.26 0.00 0.00 58.87 58.53 2e9k n SER 5 Cb 0.00 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.16 2e9k n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e9k s SER 6 N -7.04 4.52 0.00 4.04 0.01 -1.26 -5.09 113.70 108.89 2e9k s SER 6 Ca -0.33 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2e9k s SER 6 Cb 0.12 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2e9k s SER 6 CO 0.42 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.83 2e9k n GLY 7 N 3.68 0.52 3.70 3.44 0.00 -1.26 -4.85 105.19 110.43 2e9k n GLY 7 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.34 6.98 0.27 1.61 1.01 -1.26 -5.02 116.67 118.93 2e9k s ASP 8 Ca 0.00 2.06 -0.15 0.00 0.71 0.00 0.00 52.55 55.17 2e9k s ASP 8 Cb 0.00 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 2e9k s ASP 8 CO 0.00 -0.57 0.69 -0.63 0.21 0.00 0.00 175.17 174.87 2e9k s ILE 9 N 1.53 4.70 0.11 0.77 1.01 -1.26 -4.91 121.20 123.15 2e9k s ILE 9 Ca 0.60 0.95 -0.21 0.00 0.00 0.00 0.00 60.65 62.00 2e9k s ILE 9 Cb -0.30 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2e9k s ILE 9 CO 0.28 -0.04 1.09 0.54 0.00 0.00 0.00 174.94 176.80 2e9k n ARG 10 N 0.01 -0.30 -0.02 2.79 1.74 -1.26 -0.99 116.66 118.63 2e9k n ARG 10 Ca 0.01 1.07 -0.13 0.00 -0.77 0.00 0.00 57.85 58.03 2e9k n ARG 10 Cb 0.52 -1.57 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 2e9k n ARG 10 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2e9k h PRO 11 N 0.00 0.07 -0.71 5.56 0.13 -2.02 -3.30 132.00 131.73 2e9k h PRO 11 Ca 0.11 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 65.30 2e9k h PRO 11 Cb 0.28 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.31 2e9k h PRO 11 CO -0.64 0.54 -0.32 0.43 -0.23 0.00 0.00 178.00 177.77 2e9k n SER 12 N -4.79 -0.56 -0.26 1.44 7.64 -0.16 0.07 113.62 117.00 2e9k n SER 12 Ca -0.08 1.25 -0.12 0.00 1.01 0.00 0.00 58.87 60.93 2e9k n SER 12 Cb 0.27 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 2e9k n SER 12 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2e9k h LYS 13 N 0.00 -0.20 -0.76 1.43 3.64 -1.46 0.80 116.57 120.02 2e9k h LYS 13 Ca 0.20 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.76 2e9k h LYS 13 Cb 0.38 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.10 2e9k h LYS 13 CO -0.69 -0.13 -0.12 1.25 -2.27 0.00 0.00 179.45 177.49 2e9k h LEU 14 N -0.20 -0.58 -0.21 5.20 5.85 -0.52 -0.14 115.31 124.71 2e9k h LEU 14 Ca 0.11 0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.11 2e9k h LEU 14 Cb 0.49 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2e9k h LEU 14 CO -0.72 -0.23 -0.26 0.25 -0.34 0.00 0.00 178.44 177.13 2e9k h LEU 15 N 0.03 -0.82 -0.80 2.25 5.85 -0.49 -2.27 115.31 119.06 2e9k h LEU 15 Ca 0.39 0.14 0.11 0.00 0.84 0.00 0.00 57.88 59.36 2e9k h LEU 15 Cb 0.64 0.38 -0.13 0.00 0.37 0.00 0.00 40.66 41.91 2e9k h LEU 15 CO -0.75 -0.30 -0.43 0.74 -0.34 0.00 0.00 178.44 177.36 2e9k h THR 16 N -0.28 0.05 0.08 1.05 2.02 -0.25 0.22 112.91 115.80 2e9k h THR 16 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 2e9k h THR 16 Cb 0.48 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2e9k h THR 16 CO -0.37 0.00 -0.36 -0.25 0.37 0.00 0.00 175.52 174.91 2e9k h TRP 17 N -0.10 -1.00 -0.68 3.16 7.01 -1.25 -1.51 115.95 121.58 2e9k h TRP 17 Ca 0.25 0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.40 2e9k h TRP 17 Cb 0.55 0.43 -0.09 0.00 -2.10 0.00 0.00 29.16 27.95 2e9k h TRP 17 CO -0.81 -0.46 0.21 0.00 -2.79 0.00 0.00 178.44 174.59 2e9k h GLN 19 N 0.35 -0.31 0.09 0.00 4.20 0.05 -0.16 115.11 119.33 2e9k h GLN 19 Ca 0.37 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.12 2e9k h GLN 19 Cb 0.55 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2e9k h GLN 19 CO -0.41 -0.21 -0.34 1.96 -0.67 0.00 0.00 178.83 179.16 2e9k h GLN 20 N -0.32 -0.53 -0.32 1.46 4.20 -0.46 0.76 115.11 119.90 2e9k h GLN 20 Ca 0.06 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.88 2e9k h GLN 20 Cb 0.41 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.23 2e9k h GLN 20 CO -0.20 -0.35 -0.17 1.96 -0.67 0.00 0.00 178.83 179.39 2e9k h GLN 21 N -0.55 -0.12 -1.44 1.46 1.08 -1.10 -2.13 115.11 112.31 2e9k h GLN 21 Ca 0.04 0.01 -0.69 0.00 -1.45 0.00 0.00 58.65 56.55 2e9k h GLN 21 Cb 0.60 0.03 -0.31 0.00 -0.05 0.00 0.00 27.48 27.74 2e9k h GLN 21 CO -0.22 -0.08 0.61 0.25 -0.95 0.00 0.00 178.83 178.44 2e9k n THR 22 N -5.34 3.38 0.20 -0.54 -2.24 -0.09 -4.50 114.28 105.14 2e9k n THR 22 Ca 0.01 -3.84 0.11 0.00 -2.27 0.00 0.00 64.05 58.07 2e9k n THR 22 Cb 0.26 -1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 67.27 2e9k n THR 22 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2e9k n GLU 23 N -0.70 0.54 -0.71 -0.78 2.13 0.26 -4.08 120.64 117.30 2e9k n GLU 23 Ca 0.55 0.04 -0.01 0.00 0.66 0.00 0.00 57.16 58.40 2e9k n GLU 23 Cb 0.52 -1.72 0.22 0.00 0.27 0.00 0.00 31.44 30.72 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e9k n GLY 24 N 1.24 4.55 3.87 8.31 0.00 -1.26 -5.00 105.19 116.90 2e9k n GLY 24 Ca -0.00 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2e9k n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2e9k s TYR 25 N -3.10 3.64 0.21 1.61 1.51 -1.26 -5.07 117.35 114.89 2e9k s TYR 25 Ca 0.45 0.67 -0.30 0.00 -1.01 0.00 0.00 57.07 56.88 2e9k s TYR 25 Cb 0.39 -2.05 -0.08 0.00 -0.11 0.00 0.00 41.96 40.11 2e9k s TYR 25 CO 0.04 0.71 1.04 -0.65 -1.11 0.00 0.00 175.55 175.58 2e9k s GLN 26 N -1.04 4.69 -1.76 -0.62 -0.21 -1.26 -3.26 119.66 116.19 2e9k s GLN 26 Ca 0.18 1.65 -0.00 0.00 0.02 0.00 0.00 55.36 57.21 2e9k s GLN 26 Cb -0.13 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.61 2e9k s GLN 26 CO 0.07 0.25 0.00 0.72 -2.12 0.00 0.00 175.29 174.21 2e9k n HIS 27 N 1.86 -0.98 -3.78 0.91 8.25 -1.26 -4.96 115.22 115.26 2e9k n HIS 27 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 2e9k n HIS 27 Cb 0.46 -3.94 -0.14 0.00 1.12 0.00 0.00 29.99 27.49 2e9k n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2e9k s VAL 28 N -3.03 1.35 -0.63 1.59 1.01 -1.20 -5.04 120.40 114.46 2e9k s VAL 28 Ca 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 59.93 2e9k s VAL 28 Cb -0.00 -1.99 0.16 0.00 0.00 0.00 0.00 36.38 34.55 2e9k s VAL 28 CO 0.00 -0.75 0.44 0.21 0.00 0.00 0.00 175.10 175.00 2e9k s ASN 29 N 0.97 5.08 -0.61 3.32 2.47 -1.26 -4.75 114.94 120.16 2e9k s ASN 29 Ca 0.13 -3.01 -0.27 0.00 0.42 0.00 0.00 52.86 50.13 2e9k s ASN 29 Cb -0.21 -1.81 -0.00 0.00 -1.45 0.00 0.00 41.25 37.78 2e9k s ASN 29 CO -0.12 -0.31 1.66 -0.69 -3.72 0.00 0.00 177.10 173.91 2e9k s VAL 30 N -0.29 3.52 -0.13 -5.21 1.01 -1.26 -4.74 120.40 113.29 2e9k s VAL 30 Ca 0.18 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2e9k s VAL 30 Cb -0.20 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 2e9k s VAL 30 CO -0.04 -1.12 -0.09 0.41 0.00 0.00 0.00 175.10 174.26 2e9k n THR 31 N 6.99 0.75 -4.38 3.92 -1.04 -1.26 -4.91 114.28 114.36 2e9k n THR 31 Ca 0.15 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.05 61.65 2e9k n THR 31 Cb 0.51 -0.93 -0.09 0.00 -1.82 0.00 0.00 70.33 67.99 2e9k n THR 31 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2e9k s ASP 32 N -5.13 1.81 -0.40 8.00 1.01 -1.26 -5.06 116.67 115.64 2e9k s ASP 32 Ca -0.16 -1.52 0.05 0.00 0.71 0.00 0.00 52.55 51.63 2e9k s ASP 32 Cb 0.04 0.30 0.54 0.00 1.01 0.00 0.00 42.92 44.81 2e9k s ASP 32 CO 0.33 -0.83 1.66 0.18 0.21 0.00 0.00 175.17 176.72 2e9k n LEU 33 N -0.63 5.55 0.08 1.23 4.77 -1.26 -3.96 117.00 122.77 2e9k n LEU 33 Ca -0.01 -3.92 0.00 0.00 -0.03 0.00 0.00 56.01 52.05 2e9k n LEU 33 Cb 0.65 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2e9k n LEU 33 CO 0.36 1.33 -0.06 0.35 -1.33 0.00 0.00 177.39 178.04 2e9k n THR 34 N -1.06 0.34 0.09 -5.08 -2.24 -1.26 -4.76 114.28 100.30 2e9k n THR 34 Ca 0.47 0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 62.15 2e9k n THR 34 Cb 1.16 -0.91 -0.15 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.10 -0.01 4.28 1.35 -1.92 -3.16 112.91 114.54 2e9k h THR 35 Ca 0.00 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2e9k h THR 35 Cb 0.11 2.83 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2e9k h THR 35 CO 0.00 0.84 0.01 0.28 -0.25 0.00 0.00 175.52 176.40 2e9k h SER 36 N 0.10 0.00 -0.41 5.36 0.02 -1.91 -0.92 113.55 115.79 2e9k h SER 36 Ca -0.29 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.49 2e9k h SER 36 Cb 2.09 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 64.52 2e9k h SER 36 CO 0.20 0.00 0.02 0.79 -1.14 0.00 0.00 176.83 176.70 2e9k n TRP 37 N -4.13 1.29 0.08 3.45 7.02 -1.25 -3.93 117.44 119.98 2e9k n TRP 37 Ca -0.03 -1.45 -0.20 0.00 -1.02 0.00 0.00 57.50 54.80 2e9k n TRP 37 Cb 0.10 -0.50 -0.15 0.00 -2.42 0.00 0.00 31.31 28.34 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 1.22 0.34 0.06 -0.99 0.11 -1.12 -3.38 114.38 110.61 2e9k h ARG 38 Ca 0.22 -0.58 -0.27 0.00 0.10 0.00 0.00 59.98 59.44 2e9k h ARG 38 Cb 1.75 0.22 -0.02 0.00 1.11 0.00 0.00 29.97 33.03 2e9k h ARG 38 CO 0.43 1.23 -1.47 1.03 0.10 0.00 0.00 179.97 181.30 2e9k h SER 39 N 0.09 0.21 0.00 0.08 0.87 -1.81 -3.25 113.55 109.75 2e9k h SER 39 Ca -0.28 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2e9k h SER 39 Cb 2.07 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2e9k h SER 39 CO 0.18 1.61 0.00 0.61 -0.53 0.00 0.00 176.83 178.71 2e9k n GLY 40 N 1.67 1.65 0.31 5.77 0.00 -1.26 -2.55 105.19 110.78 2e9k n GLY 40 Ca -0.30 -0.25 0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 0.29 0.09 0.99 4.77 -1.26 -0.73 117.00 121.15 2e9k n LEU 41 Ca 0.00 1.58 -0.08 0.00 -0.03 0.00 0.00 56.01 57.48 2e9k n LEU 41 Cb 0.00 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.29 2e9k n LEU 41 CO 0.00 -1.76 0.51 0.00 -1.33 0.00 0.00 177.39 174.81 2e9k h ALA 42 N 1.90 -0.84 0.45 -1.18 0.00 -1.94 -0.58 119.26 117.06 2e9k h ALA 42 Ca 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.61 2e9k h ALA 42 Cb 2.06 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.45 2e9k h ALA 42 CO -0.75 -0.89 -0.21 1.25 0.00 0.00 0.00 179.25 178.65 2e9k h LEU 43 N -0.42 -0.51 -0.99 0.00 5.85 -1.23 -2.74 115.31 115.26 2e9k h LEU 43 Ca -0.01 -0.01 0.37 0.00 0.84 0.00 0.00 57.88 59.07 2e9k h LEU 43 Cb 0.40 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 41.39 2e9k h LEU 43 CO -0.10 -0.32 0.47 0.00 -0.34 0.00 0.00 178.44 178.15 2e9k h ALA 45 N 1.96 -0.17 -0.09 0.00 0.00 -0.79 -0.50 119.26 119.68 2e9k h ALA 45 Ca 0.78 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.72 2e9k h ALA 45 Cb 1.95 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 2e9k h ALA 45 CO -0.75 -0.62 -0.25 0.82 0.00 0.00 0.00 179.25 178.46 2e9k h ILE 46 N -0.21 0.41 0.46 0.00 2.04 -0.17 -0.54 117.51 119.50 2e9k h ILE 46 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2e9k h ILE 46 Cb 0.23 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2e9k h ILE 46 CO -0.06 0.00 -0.43 0.40 0.00 0.00 0.00 178.15 178.06 2e9k h ILE 47 N -0.34 0.14 -0.81 -0.67 2.04 -1.29 -2.53 117.51 114.05 2e9k h ILE 47 Ca 0.09 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.15 2e9k h ILE 47 Cb 0.47 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 2e9k h ILE 47 CO -0.28 0.00 0.19 -0.74 0.00 0.00 0.00 178.15 177.32 2e9k h HIS 48 N -0.89 0.27 -0.42 1.37 2.76 -0.88 -0.24 115.15 117.12 2e9k h HIS 48 Ca -0.05 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2e9k h HIS 48 Cb 0.78 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.69 2e9k h HIS 48 CO -0.22 -0.16 -0.33 -0.09 -1.30 0.00 0.00 177.93 175.83 2e9k h ARG 49 N 0.22 -0.10 0.00 5.26 9.65 -0.65 0.81 114.38 129.58 2e9k h ARG 49 Ca 0.48 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.37 2e9k h ARG 49 Cb 0.91 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2e9k h ARG 49 CO -0.60 -0.06 -0.00 0.74 2.80 0.00 0.00 179.97 182.84 2e9k h PHE 50 N -0.10 -0.01 -2.90 2.20 -1.00 -1.34 -3.39 116.94 110.40 2e9k h PHE 50 Ca 0.07 -0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.25 2e9k h PHE 50 Cb 0.28 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 39.44 2e9k h PHE 50 CO -0.85 0.19 -0.76 1.03 -1.61 0.00 0.00 178.31 176.30 2e9k s ARG 51 N -5.43 1.09 0.00 1.51 1.81 -0.17 -4.96 118.95 112.81 2e9k s ARG 51 Ca -0.14 -1.81 0.14 0.00 -1.72 0.00 0.00 55.73 52.20 2e9k s ARG 51 Cb 0.04 -2.08 0.67 0.00 -0.45 0.00 0.00 34.95 33.13 2e9k s ARG 51 CO 0.66 -1.17 1.43 -0.35 -0.68 0.00 0.00 175.30 175.20 2e9k n PRO 52 N 3.71 0.10 0.07 3.54 -0.04 0.27 -2.64 135.00 140.01 2e9k n PRO 52 Ca 0.09 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2e9k n PRO 52 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.35 -0.06 0.54 4.11 -1.93 -3.31 114.58 114.29 2e9k h GLU 53 Ca 0.00 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.04 2e9k h GLU 53 Cb 0.20 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2e9k h GLU 53 CO 0.00 1.04 -0.09 -0.07 0.07 0.00 0.00 179.01 179.96 2e9k h LEU 54 N 0.21 0.18 -8.43 3.06 3.38 -1.88 -3.44 115.31 108.38 2e9k h LEU 54 Ca -0.06 -0.54 -0.61 0.00 0.09 0.00 0.00 57.88 56.77 2e9k h LEU 54 Cb 1.50 -0.05 -0.30 0.00 0.09 0.00 0.00 40.66 41.91 2e9k h LEU 54 CO 0.15 0.68 -0.86 -0.63 0.09 0.00 0.00 178.44 177.87 2e9k s ILE 55 N -4.07 1.64 -0.45 1.22 1.01 -1.25 -5.08 121.20 114.23 2e9k s ILE 55 Ca -0.15 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.64 2e9k s ILE 55 Cb 0.03 -1.37 0.12 0.00 0.01 0.00 0.00 42.46 41.25 2e9k s ILE 55 CO 0.71 0.46 0.19 0.21 0.00 0.00 0.00 174.94 176.52 2e9k s ASN 56 N -0.47 4.66 0.27 3.58 2.47 -1.26 -4.54 114.94 119.65 2e9k s ASN 56 Ca 0.08 -2.58 0.00 0.00 0.42 0.00 0.00 52.86 50.78 2e9k s ASN 56 Cb -0.08 -1.67 0.63 0.00 -1.45 0.00 0.00 41.25 38.67 2e9k s ASN 56 CO -0.01 -0.33 1.69 0.15 -3.72 0.00 0.00 177.10 174.88 2e9k h PHE 57 N 7.12 0.48 -1.02 0.43 3.04 -1.91 0.32 116.94 125.40 2e9k h PHE 57 Ca -0.06 0.04 0.25 0.00 3.98 0.00 0.00 57.97 62.18 2e9k h PHE 57 Cb 0.96 -0.08 -0.10 0.00 2.56 0.00 0.00 35.95 39.29 2e9k h PHE 57 CO 0.52 -0.07 0.65 -0.44 -2.02 0.00 0.00 178.31 176.94 2e9k h ASP 58 N 0.34 0.51 0.22 0.41 5.19 -2.00 -0.42 116.42 120.66 2e9k h ASP 58 Ca 0.51 0.09 -0.33 0.00 -0.62 0.00 0.00 57.03 56.67 2e9k h ASP 58 Cb 0.93 0.01 0.03 0.00 0.18 0.00 0.00 39.33 40.47 2e9k h ASP 58 CO -0.53 0.11 -1.54 -1.28 -3.12 0.00 0.00 179.24 172.88 2e9k h SER 59 N 0.45 0.73 -1.78 6.45 0.87 -0.84 -3.45 113.55 115.98 2e9k h SER 59 Ca 0.59 -0.93 -0.66 0.00 -1.23 0.00 0.00 61.79 59.57 2e9k h SER 59 Cb 1.40 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2e9k h SER 59 CO -0.32 1.72 1.08 0.18 -0.53 0.00 0.00 176.83 178.95 2e9k n LEU 60 N -3.71 2.99 -4.52 2.23 4.77 -0.17 -4.93 117.00 113.65 2e9k n LEU 60 Ca -0.20 0.94 -0.38 0.00 -0.03 0.00 0.00 56.01 56.34 2e9k n LEU 60 Cb 1.07 -1.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 2e9k n LEU 60 CO 0.56 -0.24 -0.19 0.21 -1.33 0.00 0.00 177.39 176.39 2e9k s ASN 61 N 4.31 5.75 0.28 -1.43 2.47 -1.26 -4.94 114.94 120.13 2e9k s ASN 61 Ca 0.96 -0.22 -0.06 0.00 0.42 0.00 0.00 52.86 53.97 2e9k s ASN 61 Cb -0.83 -2.06 0.53 0.00 -1.45 0.00 0.00 41.25 37.45 2e9k s ASN 61 CO 0.56 -0.10 1.57 -0.08 -3.72 0.00 0.00 177.10 175.32 2e9k h GLU 62 N 8.36 0.00 -0.45 0.43 4.81 -1.95 1.58 114.58 127.36 2e9k h GLU 62 Ca -0.35 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2e9k h GLU 62 Cb 1.17 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2e9k h GLU 62 CO 0.58 0.00 0.30 -0.44 -0.73 0.00 0.00 179.01 178.72 2e9k h ASP 63 N 0.00 0.50 -0.23 1.04 3.32 -2.01 -2.84 116.42 116.21 2e9k h ASP 63 Ca 0.51 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.29 2e9k h ASP 63 Cb 0.86 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.19 2e9k h ASP 63 CO -0.98 0.36 -0.22 0.47 -1.72 0.00 0.00 179.24 177.15 2e9k n ASP 64 N -4.47 5.51 0.29 6.45 8.00 0.54 -4.62 116.55 128.25 2e9k n ASP 64 Ca 0.04 -2.64 -0.15 0.00 0.71 0.00 0.00 54.79 52.75 2e9k n ASP 64 Cb 0.07 -1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 39.72 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9k h ALA 65 N 2.97 -1.14 -0.77 2.24 0.00 -1.57 0.17 119.26 121.15 2e9k h ALA 65 Ca 0.23 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.16 2e9k h ALA 65 Cb 1.34 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 19.57 2e9k h ALA 65 CO 0.37 -1.14 -0.04 0.28 0.00 0.00 0.00 179.25 178.71 2e9k n VAL 66 N -4.92 -0.33 -0.03 0.00 0.31 -1.26 0.92 118.33 113.03 2e9k n VAL 66 Ca -0.11 1.72 -0.15 0.00 -0.01 0.00 0.00 64.34 65.79 2e9k n VAL 66 Cb 0.39 -2.48 -0.10 0.00 -0.91 0.00 0.00 33.84 30.75 2e9k n VAL 66 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2e9k h GLU 67 N 0.00 0.33 -0.12 5.55 5.08 -1.84 -2.85 114.58 120.73 2e9k h GLU 67 Ca 0.44 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2e9k h GLU 67 Cb 0.85 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 2e9k h GLU 67 CO -0.75 0.93 -0.48 -0.91 -1.00 0.00 0.00 179.01 176.80 2e9k h ASN 68 N -0.18 -1.50 0.02 1.42 2.35 0.36 0.17 115.58 118.21 2e9k h ASN 68 Ca -0.03 0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2e9k h ASN 68 Cb 1.00 0.60 -0.00 0.00 0.05 0.00 0.00 38.32 39.97 2e9k h ASN 68 CO 0.07 -0.46 -0.01 0.78 -1.65 0.00 0.00 177.43 176.16 2e9k h ASN 69 N -0.55 -0.03 -0.82 5.81 2.35 -0.63 -2.09 115.58 119.62 2e9k h ASN 69 Ca 0.06 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 56.12 2e9k h ASN 69 Cb 0.66 0.01 -0.15 0.00 0.05 0.00 0.00 38.32 38.89 2e9k h ASN 69 CO -0.41 -0.02 0.31 0.00 -1.65 0.00 0.00 177.43 175.67 2e9k n GLN 70 N -2.23 -0.05 0.47 0.81 1.13 -1.07 0.34 117.38 116.77 2e9k n GLN 70 Ca -0.00 1.16 -0.20 0.00 -1.94 0.00 0.00 57.00 56.02 2e9k n GLN 70 Cb 0.01 -2.01 -0.10 0.00 0.11 0.00 0.00 30.24 28.25 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 -0.99 -0.74 1.08 5.85 -0.64 0.31 115.31 120.18 2e9k h LEU 71 Ca 0.64 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.51 2e9k h LEU 71 Cb 1.60 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.80 2e9k h LEU 71 CO -0.68 -0.70 0.34 0.00 -0.34 0.00 0.00 178.44 177.07 2e9k h ALA 72 N -1.04 1.04 0.14 1.25 0.00 0.58 0.16 119.26 121.39 2e9k h ALA 72 Ca -0.12 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2e9k h ALA 72 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2e9k h ALA 72 CO 0.20 -0.11 -0.07 0.74 0.00 0.00 0.00 179.25 180.01 2e9k h PHE 73 N 0.54 -0.17 -0.63 0.00 0.04 -0.96 -0.77 116.94 114.98 2e9k h PHE 73 Ca 0.39 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.16 2e9k h PHE 73 Cb 0.49 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2e9k h PHE 73 CO -0.13 -0.07 0.42 0.22 -0.60 0.00 0.00 178.31 178.15 2e9k h ASP 74 N -0.24 0.72 -0.48 2.17 3.58 -0.28 0.37 116.42 122.26 2e9k h ASP 74 Ca -0.02 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2e9k h ASP 74 Cb 0.19 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2e9k h ASP 74 CO 0.03 0.52 0.25 0.58 -2.88 0.00 0.00 179.24 177.74 2e9k h VAL 75 N 0.85 1.17 0.16 2.25 2.07 -0.52 0.34 116.25 122.56 2e9k h VAL 75 Ca 0.24 -0.46 -0.29 0.00 0.82 0.00 0.00 66.70 67.01 2e9k h VAL 75 Cb -0.08 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2e9k h VAL 75 CO -0.06 0.19 -1.30 0.00 0.02 0.00 0.00 177.57 176.42 2e9k h ALA 76 N 1.57 0.04 0.00 1.67 0.00 -0.47 -0.56 119.26 121.51 2e9k h ALA 76 Ca 0.18 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2e9k h ALA 76 Cb 0.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2e9k h ALA 76 CO -0.03 0.92 0.00 1.49 0.00 0.00 0.00 179.25 181.63 2e9k h GLU 77 N 0.09 0.00 0.02 0.00 4.81 0.09 1.14 114.58 120.73 2e9k h GLU 77 Ca -0.16 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.69 2e9k h GLU 77 Cb 2.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.34 2e9k h GLU 77 CO 0.22 0.00 -2.35 0.54 -0.73 0.00 0.00 179.01 176.69 2e9k n ARG 78 N -2.52 0.67 -0.10 1.92 5.12 0.12 -3.39 116.66 118.48 2e9k n ARG 78 Ca 0.04 0.14 -0.15 0.00 -1.93 0.00 0.00 57.85 55.96 2e9k n ARG 78 Cb 0.43 -1.56 -0.06 0.00 -1.16 0.00 0.00 32.46 30.10 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2e9k n GLU 79 N -3.16 0.52 0.14 5.56 -0.58 -0.22 -4.48 120.64 118.42 2e9k n GLU 79 Ca -0.40 0.45 0.06 0.00 -0.42 0.00 0.00 57.16 56.85 2e9k n GLU 79 Cb 1.04 -1.64 0.05 0.00 -0.57 0.00 0.00 31.44 30.32 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 -1.00 0.00 -2.06 -0.32 0.04 -0.77 -3.48 116.94 109.35 2e9k h PHE 80 Ca -0.22 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.37 2e9k h PHE 80 Cb 1.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.18 2e9k h PHE 80 CO -0.13 0.31 -0.27 0.41 -0.60 0.00 0.00 178.31 178.03 2e9k n GLY 81 N 1.21 0.10 3.45 -1.45 0.00 0.36 -4.93 105.19 103.93 2e9k n GLY 81 Ca 0.01 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.73 4.40 -0.03 -0.61 1.01 -0.96 -4.89 121.20 117.38 2e9k s ILE 82 Ca 0.10 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2e9k s ILE 82 Cb -0.05 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 2e9k s ILE 82 CO 0.13 0.26 1.47 -2.16 0.00 0.00 0.00 174.94 174.65 2e9k s PRO 83 N 1.62 4.24 0.25 2.79 0.04 -1.26 -3.69 135.00 138.98 2e9k s PRO 83 Ca 0.06 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 2e9k s PRO 83 Cb -0.16 -3.72 -0.09 0.00 0.04 0.00 0.00 34.50 30.57 2e9k s PRO 83 CO 0.04 -0.68 1.27 -1.25 0.04 0.00 0.00 177.00 176.42 2e9k s PRO 84 N 3.03 4.42 0.37 0.56 0.04 -1.26 -4.93 135.00 137.23 2e9k s PRO 84 Ca 0.66 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.90 2e9k s PRO 84 Cb -0.31 -3.16 0.72 0.00 0.04 0.00 0.00 34.50 31.78 2e9k s PRO 84 CO 0.26 -0.15 1.79 -0.39 0.04 0.00 0.00 177.00 178.55 2e9k h VAL 85 N 3.45 1.14 -3.82 -0.36 -1.51 -1.94 -3.45 116.25 109.77 2e9k h VAL 85 Ca -0.46 -1.41 -0.22 0.00 -1.23 0.00 0.00 66.70 63.37 2e9k h VAL 85 Cb 1.22 1.79 -0.15 0.00 -2.13 0.00 0.00 31.29 32.02 2e9k h VAL 85 CO 0.72 0.39 -0.70 0.28 -1.23 0.00 0.00 177.57 177.03 2e9k s THR 86 N -3.95 0.69 -0.13 7.19 -1.32 -1.26 -5.15 115.64 111.72 2e9k s THR 86 Ca -0.02 -1.94 -0.13 0.00 -1.21 0.00 0.00 61.69 58.40 2e9k s THR 86 Cb 0.13 -1.69 -0.05 0.00 -1.51 0.00 0.00 72.50 69.38 2e9k s THR 86 CO 0.71 -0.87 0.28 0.42 -2.21 0.00 0.00 174.62 172.95 2e9k s THR 87 N -3.63 5.30 0.24 5.08 -4.23 -1.26 -4.90 115.64 112.24 2e9k s THR 87 Ca 0.12 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.14 2e9k s THR 87 Cb 0.05 -3.60 0.35 0.00 1.34 0.00 0.00 72.50 70.65 2e9k s THR 87 CO -0.05 0.47 1.27 0.61 -0.54 0.00 0.00 174.62 176.38 2e9k n GLY 88 N 2.85 -1.19 0.32 3.99 0.00 -1.26 0.47 105.19 110.37 2e9k n GLY 88 Ca -0.14 0.82 -0.07 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.21 -0.10 1.61 1.57 -1.94 -1.52 116.57 115.99 2e9k h LYS 89 Ca 0.46 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.18 2e9k h LYS 89 Cb 0.87 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2e9k h LYS 89 CO -0.79 -0.14 -0.22 1.49 -0.57 0.00 0.00 179.45 179.23 2e9k h GLU 90 N -0.22 0.32 -0.98 3.15 4.81 -0.38 -1.34 114.58 119.94 2e9k h GLU 90 Ca 0.19 -0.21 0.33 0.00 -0.13 0.00 0.00 59.36 59.53 2e9k h GLU 90 Cb 0.52 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.76 2e9k h GLU 90 CO -0.54 0.81 0.29 1.98 -0.73 0.00 0.00 179.01 180.82 2e9k h MET 91 N -0.13 0.06 0.16 1.92 4.05 -0.10 0.36 114.93 121.24 2e9k h MET 91 Ca 0.00 -0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.08 2e9k h MET 91 Cb 0.81 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2e9k h MET 91 CO 0.05 0.04 -1.69 0.00 0.23 0.00 0.00 176.91 175.53 2e9k h ALA 92 N 1.95 0.22 0.60 0.39 0.00 -1.30 -3.38 119.26 117.74 2e9k h ALA 92 Ca 0.70 -1.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2e9k h ALA 92 Cb 1.63 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2e9k h ALA 92 CO -0.80 1.09 -0.47 1.03 0.00 0.00 0.00 179.25 180.10 2e9k h SER 93 N 0.09 -1.24 -1.56 0.00 0.87 0.65 -3.40 113.55 108.96 2e9k h SER 93 Ca -0.31 0.09 -0.64 0.00 -1.23 0.00 0.00 61.79 59.69 2e9k h SER 93 Cb 2.07 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 64.41 2e9k h SER 93 CO 0.17 -0.67 1.35 0.00 -0.53 0.00 0.00 176.83 177.15 2e9k n ALA 94 N -2.74 1.19 0.10 6.23 0.00 0.90 -4.86 120.51 121.33 2e9k n ALA 94 Ca -0.13 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2e9k n ALA 94 Cb 0.46 -2.63 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 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 12.25 -0.71 -4.08 0.00 1.08 -1.89 -3.36 115.11 118.41 2e9k h GLN 95 Ca -0.36 0.05 -0.64 0.00 -1.45 0.00 0.00 58.65 56.24 2e9k h GLN 95 Cb 1.29 0.16 -0.40 0.00 -0.05 0.00 0.00 27.48 28.47 2e9k h GLN 95 CO 0.99 -0.47 -0.70 -2.00 -0.95 0.00 0.00 178.83 175.70 2e9k s GLU 96 N -5.79 1.54 0.99 1.46 2.12 -1.26 -4.94 118.70 112.82 2e9k s GLU 96 Ca -0.16 -2.03 -0.12 0.00 0.36 0.00 0.00 54.97 53.01 2e9k s GLU 96 Cb 0.06 -3.06 0.18 0.00 0.26 0.00 0.00 34.13 31.57 2e9k s GLU 96 CO 0.61 -1.01 1.09 -1.25 -0.54 0.00 0.00 175.26 174.17 2e9k s PRO 97 N 0.58 0.53 0.07 4.30 0.04 -1.26 -5.00 135.00 134.26 2e9k s PRO 97 Ca 0.13 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 2e9k s PRO 97 Cb -0.21 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2e9k s PRO 97 CO -0.07 -2.67 0.98 0.16 0.04 0.00 0.00 177.00 175.44 2e9k s ASP 98 N -3.44 7.43 0.06 6.66 1.47 -1.26 -4.95 116.67 122.62 2e9k s ASP 98 Ca 0.65 1.75 -0.19 0.00 1.18 0.00 0.00 52.55 55.94 2e9k s ASP 98 Cb -0.19 -2.58 -0.12 0.00 -0.34 0.00 0.00 42.92 39.69 2e9k s ASP 98 CO 0.58 -0.16 1.39 0.07 0.68 0.00 0.00 175.17 177.72 2e9k h LYS 99 N 6.10 0.41 0.09 2.11 2.10 -1.94 -2.84 116.57 122.60 2e9k h LYS 99 Ca -0.42 -0.20 0.01 0.00 -2.00 0.00 0.00 60.65 58.04 2e9k h LYS 99 Cb 1.21 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 2e9k h LYS 99 CO 0.73 0.74 -0.41 -0.07 -2.00 0.00 0.00 179.45 178.44 2e9k h LEU 100 N 0.08 -1.24 -1.58 7.07 -0.00 -1.94 0.25 115.31 117.97 2e9k h LEU 100 Ca 0.04 0.13 0.23 0.00 -0.00 0.00 0.00 57.88 58.28 2e9k h LEU 100 Cb 0.63 0.46 -0.07 0.00 -0.00 0.00 0.00 40.66 41.68 2e9k h LEU 100 CO 0.03 -0.43 0.63 -1.28 -0.00 0.00 0.00 178.44 177.39 2e9k h SER 101 N -0.59 0.33 0.02 -0.43 0.87 -1.99 -0.49 113.55 111.27 2e9k h SER 101 Ca -0.01 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2e9k h SER 101 Cb 0.59 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2e9k h SER 101 CO -0.22 0.11 -0.01 0.24 -0.53 0.00 0.00 176.83 176.42 2e9k h MET 102 N 0.32 -0.02 0.64 2.24 2.86 -0.91 -3.11 114.93 116.95 2e9k h MET 102 Ca 0.49 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.10 2e9k h MET 102 Cb 1.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2e9k h MET 102 CO -0.17 0.42 -0.33 0.28 1.06 0.00 0.00 176.91 178.17 2e9k h VAL 103 N -0.47 0.00 -1.03 -2.22 2.07 0.89 0.22 116.25 115.70 2e9k h VAL 103 Ca -0.00 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.91 2e9k h VAL 103 Cb 0.45 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.08 2e9k h VAL 103 CO 0.00 0.00 0.61 1.15 0.02 0.00 0.00 177.57 179.36 2e9k n MET 104 N -4.48 -0.04 0.04 1.57 0.00 -0.34 -0.66 117.12 113.21 2e9k n MET 104 Ca -0.11 1.16 -0.03 0.00 0.00 0.00 0.00 57.70 58.72 2e9k n MET 104 Cb 0.36 -2.17 -0.01 0.00 0.00 0.00 0.00 33.22 31.39 2e9k n MET 104 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2e9k h TYR 105 N 0.00 -0.18 -0.95 3.17 3.20 -1.40 -3.34 116.97 117.47 2e9k h TYR 105 Ca 0.76 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.89 2e9k h TYR 105 Cb 2.21 0.06 -0.18 0.00 1.54 0.00 0.00 36.73 40.36 2e9k h TYR 105 CO -0.01 -0.11 0.04 1.28 -1.64 0.00 0.00 178.16 177.72 2e9k n LEU 106 N -4.62 -0.10 -0.30 2.82 4.77 0.17 0.68 117.00 120.42 2e9k n LEU 106 Ca -0.02 1.62 0.11 0.00 -0.03 0.00 0.00 56.01 57.68 2e9k n LEU 106 Cb 0.07 -0.60 0.24 0.00 -2.33 0.00 0.00 43.42 40.80 2e9k n LEU 106 CO 0.06 -1.65 0.83 -1.28 -1.33 0.00 0.00 177.39 174.02 2e9k h SER 107 N 0.00 -0.37 -0.92 -1.43 0.87 -1.26 0.11 113.55 110.55 2e9k h SER 107 Ca 0.59 0.24 0.18 0.00 -1.23 0.00 0.00 61.79 61.56 2e9k h SER 107 Cb 1.22 0.40 -0.17 0.00 -0.44 0.00 0.00 62.40 63.41 2e9k h SER 107 CO -0.89 -0.26 -0.25 0.29 -0.53 0.00 0.00 176.83 175.19 2e9k n LYS 108 N -5.40 -0.10 -0.04 2.24 4.76 0.22 -0.55 118.16 119.28 2e9k n LYS 108 Ca 0.19 1.44 -0.12 0.00 -2.87 0.00 0.00 58.31 56.95 2e9k n LYS 108 Cb 0.63 -2.15 -0.11 0.00 -1.84 0.00 0.00 35.03 31.57 2e9k n LYS 108 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2e9k h PHE 109 N 0.00 -0.03 -0.99 2.13 -1.00 -0.96 -2.70 116.94 113.40 2e9k h PHE 109 Ca 0.43 -0.00 0.27 0.00 2.81 0.00 0.00 57.97 61.48 2e9k h PHE 109 Cb 0.66 0.01 -0.18 0.00 3.61 0.00 0.00 35.95 40.04 2e9k h PHE 109 CO -0.72 0.71 0.04 -0.92 -1.61 0.00 0.00 178.31 175.81 2e9k h TYR 110 N -0.88 -0.03 -0.09 -0.55 3.20 -0.20 0.41 116.97 118.84 2e9k h TYR 110 Ca -0.00 0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 2e9k h TYR 110 Cb 0.75 0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.20 2e9k h TYR 110 CO 0.19 -0.43 -0.44 0.93 -1.64 0.00 0.00 178.16 176.77 2e9k h GLU 111 N 0.01 0.45 -0.15 1.82 5.08 -0.92 -0.94 114.58 119.93 2e9k h GLU 111 Ca 0.61 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 2e9k h GLU 111 Cb 1.26 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 2e9k h GLU 111 CO -0.92 1.00 -0.44 1.25 -1.00 0.00 0.00 179.01 178.91 2e9k h LEU 112 N 0.02 -1.38 -0.12 1.33 5.85 0.08 -2.72 115.31 118.37 2e9k h LEU 112 Ca -0.03 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2e9k h LEU 112 Cb 1.09 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 2e9k h LEU 112 CO 0.09 -0.43 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.44 2e9k h PHE 113 N -0.49 0.29 -1.70 1.25 0.04 -1.12 -3.41 116.94 111.80 2e9k h PHE 113 Ca 0.08 -0.07 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 2e9k h PHE 113 Cb 0.63 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.72 2e9k h PHE 113 CO -0.51 0.60 1.61 0.50 -0.60 0.00 0.00 178.31 179.91 2e9k s ARG 114 N -4.52 2.31 0.00 1.51 3.52 -0.36 -4.89 118.95 116.53 2e9k s ARG 114 Ca -0.15 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 2e9k s ARG 114 Cb 0.05 -4.54 0.00 0.00 -1.56 0.00 0.00 34.95 28.89 2e9k s ARG 114 CO 0.72 -3.04 0.00 0.41 -0.81 0.00 0.00 175.30 172.59 2e9k n GLY 115 N 5.96 1.33 3.76 8.12 0.00 -1.26 -4.77 105.19 118.32 2e9k n GLY 115 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 0.58 3.84 0.85 2.61 -1.32 -1.26 -5.04 115.64 115.90 2e9k s THR 116 Ca 0.00 1.79 -0.11 0.00 -1.21 0.00 0.00 61.69 62.16 2e9k s THR 116 Cb 0.00 -4.11 0.10 0.00 -1.51 0.00 0.00 72.50 66.98 2e9k s THR 116 CO 0.00 0.38 1.09 -2.16 -2.21 0.00 0.00 174.62 171.72 2e9k s PRO 117 N -1.46 1.63 1.13 7.08 0.04 -1.26 -5.02 135.00 137.13 2e9k s PRO 117 Ca 0.44 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2e9k s PRO 117 Cb -0.27 -1.84 0.26 0.00 0.04 0.00 0.00 34.50 32.69 2e9k s PRO 117 CO 0.34 -2.02 1.04 -0.51 0.04 0.00 0.00 177.00 175.89 2e9k s LEU 118 N -6.11 1.00 -0.18 -3.56 1.43 -1.26 -5.06 118.68 104.94 2e9k s LEU 118 Ca 0.63 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 55.12 2e9k s LEU 118 Cb -0.18 -3.41 0.09 0.00 0.03 0.00 0.00 46.19 42.73 2e9k s LEU 118 CO 0.57 -3.97 0.27 -0.13 0.23 0.00 0.00 176.35 173.32 2e9k s ARG 119 N -4.58 0.21 -0.89 1.70 0.52 -1.26 -5.09 118.95 109.56 2e9k s ARG 119 Ca 0.68 0.50 -0.25 0.00 -0.52 0.00 0.00 55.73 56.14 2e9k s ARG 119 Cb -0.23 -0.57 -0.05 0.00 0.52 0.00 0.00 34.95 34.62 2e9k s ARG 119 CO 0.63 -0.50 1.94 -1.25 0.02 0.00 0.00 175.30 176.14 2e9k s PRO 120 N 2.42 2.56 0.00 3.54 0.04 -1.26 -5.35 135.00 136.95 2e9k s PRO 120 Ca 0.06 -0.26 0.18 0.00 0.04 0.00 0.00 61.00 61.02 2e9k s PRO 120 Cb -0.14 -5.04 1.08 0.00 0.04 0.00 0.00 34.50 30.44 2e9k s PRO 120 CO -0.12 -3.34 1.48 0.28 0.04 0.00 0.00 177.00 175.34