#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i5n n HIS 3 N 0.00 2.90 0.00 -0.72 8.25 -1.26 -2.67 115.22 121.72 2i5n n HIS 3 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2i5n n HIS 3 Cb 0.00 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 28.54 2i5n n HIS 3 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i5n n GLY 4 N 1.55 2.27 3.74 -1.41 0.00 -1.26 -4.99 105.19 105.09 2i5n n GLY 4 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2i5n n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i5n s ALA 5 N -2.49 3.39 0.47 4.61 0.00 -1.09 -1.07 121.76 125.58 2i5n s ALA 5 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2i5n s ALA 5 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2i5n s ALA 5 CO 0.00 -0.24 0.04 -0.51 0.00 0.00 0.00 175.76 175.04 2i5n s LEU 6 N -0.44 2.26 0.95 0.00 1.43 0.27 -4.92 118.68 118.23 2i5n s LEU 6 Ca 0.50 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 2i5n s LEU 6 Cb -0.30 -0.57 0.16 0.00 0.03 0.00 0.00 46.19 45.51 2i5n s LEU 6 CO 0.36 -0.83 1.10 0.00 0.23 0.00 0.00 176.35 177.20 2i5n s ALA 7 N -2.96 1.13 -1.50 4.21 0.00 -1.26 -3.72 121.76 117.65 2i5n s ALA 7 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2i5n s ALA 7 Cb 0.03 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2i5n s ALA 7 CO 0.08 -2.77 0.00 1.04 0.00 0.00 0.00 175.76 174.10 2i5n n GLN 8 N -4.21 -1.04 -2.90 0.00 6.02 -1.26 -2.23 117.38 111.77 2i5n n GLN 8 Ca 0.08 0.97 -0.19 0.00 -0.01 0.00 0.00 57.00 57.85 2i5n n GLN 8 Cb 0.54 -5.11 0.00 0.00 1.02 0.00 0.00 30.24 26.69 2i5n n GLN 8 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2i5n n HIS 9 N -2.79 -1.64 -2.47 1.08 -0.00 -1.24 -5.01 115.22 103.14 2i5n n HIS 9 Ca -0.15 0.29 -0.28 0.00 0.46 0.00 0.00 57.72 58.04 2i5n n HIS 9 Cb 0.50 -3.30 0.00 0.00 -0.12 0.00 0.00 29.99 27.08 2i5n n HIS 9 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2i5n s LEU 10 N -6.20 3.52 0.13 0.27 1.43 -0.95 -4.96 118.68 111.93 2i5n s LEU 10 Ca 0.21 1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2i5n s LEU 10 Cb -0.11 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 2i5n s LEU 10 CO 0.26 -0.67 0.03 1.51 0.23 0.00 0.00 176.35 177.71 2i5n s ASP 11 N -4.14 0.61 0.10 2.29 1.47 -1.26 -0.57 116.67 115.17 2i5n s ASP 11 Ca 0.49 -1.17 -0.20 0.00 1.18 0.00 0.00 52.55 52.85 2i5n s ASP 11 Cb -0.10 0.23 -0.08 0.00 -0.34 0.00 0.00 42.92 42.63 2i5n s ASP 11 CO 0.47 -0.67 1.67 0.40 0.68 0.00 0.00 175.17 177.73 2i5n h ILE 12 N 2.85 1.13 -0.90 2.11 2.04 -1.45 -2.67 117.51 120.61 2i5n h ILE 12 Ca -0.35 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.14 2i5n h ILE 12 Cb 1.19 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2i5n h ILE 12 CO 0.61 0.13 0.60 0.00 0.00 0.00 0.00 178.15 179.49 2i5n h ALA 13 N 0.97 1.38 -0.68 1.87 0.00 -1.98 -1.17 119.26 119.64 2i5n h ALA 13 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2i5n h ALA 13 Cb 0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2i5n h ALA 13 CO -0.01 0.56 0.40 0.37 0.00 0.00 0.00 179.25 180.58 2i5n h GLN 14 N 1.20 0.75 -0.52 0.00 4.15 -1.89 -0.85 115.11 117.95 2i5n h GLN 14 Ca 0.34 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 2i5n h GLN 14 Cb -0.09 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 2i5n h GLN 14 CO -0.08 0.49 0.14 -0.07 -1.93 0.00 0.00 178.83 177.38 2i5n h LEU 15 N 0.77 0.77 -1.52 -2.39 3.38 -1.04 -3.01 115.31 112.27 2i5n h LEU 15 Ca 0.29 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2i5n h LEU 15 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2i5n h LEU 15 CO -0.14 0.79 -0.25 0.58 0.09 0.00 0.00 178.44 179.51 2i5n h VAL 16 N 0.71 1.11 0.13 1.22 2.07 -0.70 -1.52 116.25 119.27 2i5n h VAL 16 Ca 0.16 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2i5n h VAL 16 Cb 0.31 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2i5n h VAL 16 CO -0.00 0.24 -0.09 -0.25 0.02 0.00 0.00 177.57 177.49 2i5n h TRP 17 N 0.00 -0.24 -0.62 1.57 2.91 -1.04 0.13 115.95 118.66 2i5n h TRP 17 Ca -0.00 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 2i5n h TRP 17 Cb 0.46 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 2i5n h TRP 17 CO 0.00 -0.15 0.09 1.88 -1.03 0.00 0.00 178.44 179.23 2i5n h TYR 18 N -0.23 1.09 -0.55 2.65 0.05 -1.46 -2.78 116.97 115.74 2i5n h TYR 18 Ca -0.01 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.60 2i5n h TYR 18 Cb 0.20 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 2i5n h TYR 18 CO -0.10 0.92 0.22 0.00 -1.05 0.00 0.00 178.16 178.15 2i5n h ALA 19 N 1.13 0.72 -0.52 3.88 0.00 -1.04 -1.81 119.26 121.62 2i5n h ALA 19 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2i5n h ALA 19 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2i5n h ALA 19 CO 0.01 0.34 0.29 0.37 0.00 0.00 0.00 179.25 180.25 2i5n h GLN 20 N 0.76 0.73 -0.79 0.00 5.75 -0.62 -0.63 115.11 120.31 2i5n h GLN 20 Ca 0.18 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2i5n h GLN 20 Cb 0.20 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2i5n h GLN 20 CO -0.01 0.56 0.30 -1.49 -2.65 0.00 0.00 178.83 175.54 2i5n h TRP 21 N 0.69 1.22 -0.43 3.99 4.06 -1.35 -0.71 115.95 123.42 2i5n h TRP 21 Ca 0.18 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 61.05 2i5n h TRP 21 Cb 0.05 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 27.82 2i5n h TRP 21 CO -0.02 0.93 0.26 1.25 -3.56 0.00 0.00 178.44 177.31 2i5n h LEU 22 N 1.15 0.44 -0.19 -4.49 6.46 -0.90 -1.21 115.31 116.57 2i5n h LEU 22 Ca 0.26 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 2i5n h LEU 22 Cb 0.24 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2i5n h LEU 22 CO -0.02 0.31 0.09 0.58 -0.62 0.00 0.00 178.44 178.78 2i5n h VAL 23 N 0.53 1.14 0.06 1.05 2.07 -0.78 -1.50 116.25 118.82 2i5n h VAL 23 Ca 0.17 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2i5n h VAL 23 Cb -0.01 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2i5n h VAL 23 CO -0.07 0.14 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 2i5n h ILE 24 N 0.17 0.99 -0.14 4.57 2.04 -0.98 -1.43 117.51 122.74 2i5n h ILE 24 Ca 0.06 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 2i5n h ILE 24 Cb 0.14 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2i5n h ILE 24 CO -0.01 0.04 -0.41 -0.50 0.00 0.00 0.00 178.15 177.27 2i5n h TRP 25 N -0.14 0.37 -0.09 1.37 -0.00 -1.23 -0.43 115.95 115.79 2i5n h TRP 25 Ca -0.01 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.89 58.78 2i5n h TRP 25 Cb 0.12 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.20 2i5n h TRP 25 CO -0.05 0.68 0.04 1.15 -0.00 0.00 0.00 178.44 180.26 2i5n h THR 26 N 0.26 1.12 -0.22 1.49 2.02 -1.13 -0.10 112.91 116.34 2i5n h THR 26 Ca 0.02 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2i5n h THR 26 Cb 0.84 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2i5n h THR 26 CO 0.07 0.10 -0.01 0.58 0.37 0.00 0.00 175.52 176.63 2i5n h VAL 27 N 0.02 1.26 0.07 3.16 2.07 -1.08 -1.16 116.25 120.60 2i5n h VAL 27 Ca 0.03 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2i5n h VAL 27 Cb 0.12 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2i5n h VAL 27 CO -0.00 0.28 -0.04 0.58 0.02 0.00 0.00 177.57 178.41 2i5n h VAL 28 N 0.16 1.07 0.02 2.57 2.07 -1.07 -0.09 116.25 120.98 2i5n h VAL 28 Ca 0.06 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 2i5n h VAL 28 Cb 0.42 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2i5n h VAL 28 CO 0.01 0.12 -0.62 -0.07 0.02 0.00 0.00 177.57 177.04 2i5n h LEU 29 N -0.32 0.06 0.00 2.57 3.38 -1.08 -0.52 115.31 119.41 2i5n h LEU 29 Ca -0.01 -0.81 -0.14 0.00 0.09 0.00 0.00 57.88 57.00 2i5n h LEU 29 Cb 0.27 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2i5n h LEU 29 CO 0.02 1.25 -0.79 -0.07 0.09 0.00 0.00 178.44 178.94 2i5n h LEU 30 N -0.90 0.00 0.00 1.67 3.38 -1.35 -3.36 115.31 114.76 2i5n h LEU 30 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2i5n h LEU 30 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2i5n h LEU 30 CO -0.06 0.64 -0.06 0.00 0.09 0.00 0.00 178.44 179.05 2i5n n TYR 31 N -3.20 0.00 -0.12 1.13 9.36 -1.01 -4.51 117.16 118.81 2i5n n TYR 31 Ca -0.01 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 2i5n n TYR 31 Cb 0.81 -0.03 -0.01 0.00 -0.63 0.00 0.00 39.34 39.48 2i5n n TYR 31 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2i5n h LEU 32 N -0.06 0.46 -1.63 2.98 3.38 -0.99 -1.13 115.31 118.31 2i5n h LEU 32 Ca 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2i5n h LEU 32 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2i5n h LEU 32 CO 0.00 0.38 -0.19 0.03 0.09 0.00 0.00 178.44 178.75 2i5n h ARG 33 N 0.49 0.00 0.06 1.13 2.47 -1.22 -0.72 114.38 116.59 2i5n h ARG 33 Ca 0.14 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.58 2i5n h ARG 33 Cb 0.01 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.35 2i5n h ARG 33 CO -0.02 0.19 -1.13 0.00 0.56 0.00 0.00 179.97 179.56 2i5n h ARG 34 N 0.00 0.59 -0.70 0.04 3.08 -1.56 -3.20 114.38 112.64 2i5n h ARG 34 Ca -0.00 -0.72 0.04 0.00 0.07 0.00 0.00 59.98 59.37 2i5n h ARG 34 Cb 0.48 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 2i5n h ARG 34 CO 0.02 1.31 0.46 0.93 -1.07 0.00 0.00 179.97 181.63 2i5n h GLU 35 N 0.30 0.79 0.00 0.04 4.39 -0.57 -1.33 114.58 118.20 2i5n h GLU 35 Ca -0.15 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2i5n h GLU 35 Cb 1.80 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2i5n h GLU 35 CO 0.21 0.52 0.04 -0.25 -1.16 0.00 0.00 179.01 178.38 2i5n n ASP 36 N -4.46 0.55 -1.09 1.42 8.00 -0.34 -2.69 116.55 117.94 2i5n n ASP 36 Ca 0.09 0.75 0.04 0.00 0.71 0.00 0.00 54.79 56.38 2i5n n ASP 36 Cb 0.15 -0.80 0.25 0.00 -0.02 0.00 0.00 41.12 40.70 2i5n n ASP 36 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2i5n n ARG 37 N -2.26 2.81 0.00 -1.24 1.74 -0.50 -4.48 116.66 112.73 2i5n n ARG 37 Ca -0.01 -2.95 0.14 0.00 -0.77 0.00 0.00 57.85 54.26 2i5n n ARG 37 Cb 0.07 -1.89 0.64 0.00 -1.02 0.00 0.00 32.46 30.26 2i5n n ARG 37 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2i5n n ARG 38 N -0.59 0.15 -4.76 5.56 1.74 -1.10 -4.48 116.66 113.18 2i5n n ARG 38 Ca 0.26 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 57.09 2i5n n ARG 38 Cb 0.99 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.78 2i5n n ARG 38 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2i5n s GLU 39 N -2.86 1.36 0.00 5.56 0.41 -1.26 -4.03 118.70 117.88 2i5n s GLU 39 Ca 0.19 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 54.08 2i5n s GLU 39 Cb 0.19 -1.34 0.00 0.00 -1.78 0.00 0.00 34.13 31.21 2i5n s GLU 39 CO 0.52 0.36 0.00 0.41 -0.49 0.00 0.00 175.26 176.06 2i5n n GLY 40 N 2.49 1.59 3.64 -1.39 0.00 -1.26 -5.03 105.19 105.23 2i5n n GLY 40 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2i5n n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i5n s TYR 41 N -2.96 2.83 0.67 1.61 1.51 -1.26 -4.19 117.35 115.55 2i5n s TYR 41 Ca 0.00 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.79 2i5n s TYR 41 Cb 0.00 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 2i5n s TYR 41 CO 0.00 0.49 1.12 -2.14 -1.11 0.00 0.00 175.55 173.91 2i5n s PRO 42 N -2.62 2.68 0.95 -1.71 0.02 -1.26 -4.75 135.00 128.31 2i5n s PRO 42 Ca 0.25 1.43 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 2i5n s PRO 42 Cb -0.10 -1.93 0.16 0.00 0.02 0.00 0.00 34.50 32.65 2i5n s PRO 42 CO 0.17 -1.35 1.09 -0.51 -0.33 0.00 0.00 177.00 176.07 2i5n s LEU 43 N -4.96 2.18 -0.01 -5.54 1.43 -1.26 -5.06 118.68 105.46 2i5n s LEU 43 Ca 0.68 1.72 0.07 0.00 -1.03 0.00 0.00 54.13 55.56 2i5n s LEU 43 Cb -0.21 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 2i5n s LEU 43 CO 0.43 -3.05 -0.22 0.68 0.23 0.00 0.00 176.35 174.42 2i5n s VAL 44 N -2.75 2.45 0.00 -1.59 -7.23 -1.26 -5.22 120.40 104.80 2i5n s VAL 44 Ca 0.65 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2i5n s VAL 44 Cb -0.21 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.81 2i5n s VAL 44 CO 0.59 0.52 0.00 -0.62 -0.31 0.00 0.00 175.10 175.27 2i5n n GLU 45 N 2.17 0.00 -3.74 4.82 -0.58 -1.26 -5.26 120.64 116.79 2i5n n GLU 45 Ca -0.16 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.20 2i5n n GLU 45 Cb 0.52 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.27 2i5n n GLU 45 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2i5n s PRO 54 N -0.89 2.43 0.49 3.49 0.04 -1.26 -5.31 135.00 134.00 2i5n s PRO 54 Ca 0.00 -1.45 -0.21 0.00 0.04 0.00 0.00 61.00 59.38 2i5n s PRO 54 Cb 0.00 -3.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 2i5n s PRO 54 CO 0.00 -0.86 1.10 -1.21 0.04 0.00 0.00 177.00 176.07 2i5n s GLU 55 N 1.32 3.68 0.28 4.56 2.02 -1.26 -4.93 118.70 124.37 2i5n s GLU 55 Ca 0.02 1.55 0.02 0.00 0.02 0.00 0.00 54.97 56.58 2i5n s GLU 55 Cb -0.22 -2.18 0.60 0.00 0.10 0.00 0.00 34.13 32.44 2i5n s GLU 55 CO 0.00 -0.57 1.79 -0.44 0.02 0.00 0.00 175.26 176.06 2i5n h ASP 56 N 1.65 0.72 0.25 -0.19 3.32 -2.06 -2.13 116.42 117.97 2i5n h ASP 56 Ca -0.49 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 2i5n h ASP 56 Cb 1.24 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2i5n h ASP 56 CO 0.59 0.31 -0.19 1.23 -1.72 0.00 0.00 179.24 179.45 2i5n h GLY 57 N 0.76 0.00 1.91 2.75 0.00 -1.98 -0.51 103.07 105.99 2i5n h GLY 57 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 2i5n h GLY 57 CO -0.34 0.00 -0.33 1.46 0.00 0.00 0.00 176.54 177.33 2i5n h GLN 58 N 0.00 0.11 0.17 4.80 4.20 -1.75 -2.45 115.11 120.18 2i5n h GLN 58 Ca -0.00 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.44 2i5n h GLN 58 Cb 0.37 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.16 2i5n h GLN 58 CO 0.03 0.43 -1.04 0.28 -0.67 0.00 0.00 178.83 177.86 2i5n h VAL 59 N 0.10 1.41 -0.12 -0.54 2.07 -1.24 -3.37 116.25 114.56 2i5n h VAL 59 Ca 0.01 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 64.93 2i5n h VAL 59 Cb 0.63 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2i5n h VAL 59 CO 0.05 0.74 -0.13 1.88 0.02 0.00 0.00 177.57 180.13 2i5n h TYR 60 N -0.24 0.19 0.00 1.57 0.05 -1.08 -2.97 116.97 114.49 2i5n h TYR 60 Ca -0.19 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2i5n h TYR 60 Cb 1.78 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.47 2i5n h TYR 60 CO 0.17 0.31 -0.06 -0.85 -1.05 0.00 0.00 178.16 176.68 2i5n n GLU 61 N -4.30 0.15 -3.51 4.88 0.28 -0.93 -4.86 120.64 112.36 2i5n n GLU 61 Ca -0.01 0.12 -0.33 0.00 -0.16 0.00 0.00 57.16 56.77 2i5n n GLU 61 Cb 0.25 -1.67 -0.05 0.00 1.43 0.00 0.00 31.44 31.40 2i5n n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2i5n s LEU 62 N -3.87 4.27 0.73 -1.84 1.43 -1.12 -4.52 118.68 113.77 2i5n s LEU 62 Ca 0.12 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 53.95 2i5n s LEU 62 Cb 0.15 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 43.11 2i5n s LEU 62 CO 0.58 0.06 1.08 -2.16 0.23 0.00 0.00 176.35 176.15 2i5n s PRO 63 N -2.35 2.33 0.41 1.29 0.04 -1.26 -5.04 135.00 130.42 2i5n s PRO 63 Ca 0.40 0.07 -0.26 0.00 0.04 0.00 0.00 61.00 61.25 2i5n s PRO 63 Cb -0.13 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2i5n s PRO 63 CO 0.21 -1.27 1.27 0.71 0.04 0.00 0.00 177.00 177.95 2i5n s TYR 64 N -3.37 2.86 0.49 0.56 2.02 -1.26 -4.81 117.35 113.84 2i5n s TYR 64 Ca 0.60 1.45 -0.23 0.00 -0.37 0.00 0.00 57.07 58.52 2i5n s TYR 64 Cb -0.11 -3.60 -0.08 0.00 -0.40 0.00 0.00 41.96 37.77 2i5n s TYR 64 CO 0.48 -1.91 1.12 -2.30 -1.57 0.00 0.00 175.55 171.37 2i5n n PRO 65 N 0.06 1.45 -4.35 -1.71 -0.02 -1.26 -4.79 135.00 124.38 2i5n n PRO 65 Ca 0.04 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 61.78 2i5n n PRO 65 Cb 0.44 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 2i5n n PRO 65 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2i5n s LYS 66 N -2.39 1.81 -0.13 -0.52 -2.85 -0.07 -4.95 119.74 110.63 2i5n s LYS 66 Ca 0.67 -1.38 0.02 0.00 -1.00 0.00 0.00 55.97 54.28 2i5n s LYS 66 Cb -0.48 -2.02 0.01 0.00 -2.06 0.00 0.00 37.83 33.28 2i5n s LYS 66 CO 0.53 0.42 -0.20 0.99 0.10 0.00 0.00 175.35 177.20 2i5n s THR 67 N -1.68 1.88 -0.13 3.79 2.01 -1.26 -1.82 115.64 118.42 2i5n s THR 67 Ca 0.23 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 2i5n s THR 67 Cb -0.08 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 2i5n s THR 67 CO 0.13 0.51 0.71 -0.36 -0.69 0.00 0.00 174.62 174.92 2i5n s PHE 68 N 0.94 3.48 -0.33 4.92 0.08 0.76 -4.92 117.98 122.90 2i5n s PHE 68 Ca -0.05 1.15 -0.23 0.00 0.12 0.00 0.00 56.93 57.91 2i5n s PHE 68 Cb -0.15 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2i5n s PHE 68 CO -0.03 -0.06 0.79 0.08 -0.10 0.00 0.00 175.22 175.90 2i5n s VAL 69 N 1.42 4.76 0.35 -0.44 1.01 -1.26 -1.67 120.40 124.57 2i5n s VAL 69 Ca 0.35 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 63.14 2i5n s VAL 69 Cb -0.17 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 2i5n s VAL 69 CO 0.14 -0.33 0.98 -0.76 0.00 0.00 0.00 175.10 175.13 2i5n s LEU 70 N 3.03 4.28 0.51 3.92 1.43 -0.70 -4.96 118.68 126.20 2i5n s LEU 70 Ca 0.32 1.91 0.17 0.00 -1.03 0.00 0.00 54.13 55.50 2i5n s LEU 70 Cb -0.14 -4.07 1.25 0.00 0.03 0.00 0.00 46.19 43.27 2i5n s LEU 70 CO 0.14 -0.20 2.12 1.55 0.23 0.00 0.00 176.35 180.20 2i5n h PRO 71 N 2.96 0.00 -0.23 1.29 0.13 -1.96 -2.76 132.00 131.43 2i5n h PRO 71 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2i5n h PRO 71 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2i5n h PRO 71 CO 0.64 0.04 -0.06 0.72 -0.23 0.00 0.00 178.00 179.11 2i5n n HIS 72 N -4.45 0.77 0.00 1.56 8.25 -1.26 -5.06 115.22 115.03 2i5n n HIS 72 Ca -0.03 -1.19 0.00 0.00 -0.26 0.00 0.00 57.72 56.24 2i5n n HIS 72 Cb 0.12 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2i5n n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i5n n GLY 73 N -0.93 2.98 0.00 -1.41 0.00 -1.04 -5.14 105.19 99.64 2i5n n GLY 73 Ca 0.24 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2i5n n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i5n n GLY 74 N 0.36 -0.42 3.13 -0.02 0.00 -1.26 -4.61 105.19 102.37 2i5n n GLY 74 Ca 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 2i5n n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i5n s THR 75 N -1.38 0.17 -0.05 2.61 -4.23 -1.26 -1.72 115.64 109.79 2i5n s THR 75 Ca 0.00 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2i5n s THR 75 Cb 0.00 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.99 2i5n s THR 75 CO 0.00 -0.65 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.67 2i5n s VAL 76 N -3.99 0.69 -0.13 2.29 1.01 -0.67 -4.96 120.40 114.64 2i5n s VAL 76 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2i5n s VAL 76 Cb 0.08 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 2i5n s VAL 76 CO -0.02 0.25 -0.14 -0.89 0.00 0.00 0.00 175.10 174.30 2i5n s THR 77 N 0.76 2.91 0.02 3.92 2.01 -1.26 -0.17 115.64 123.83 2i5n s THR 77 Ca -0.12 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2i5n s THR 77 Cb -0.14 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2i5n s THR 77 CO 0.01 0.52 -0.08 0.68 -0.69 0.00 0.00 174.62 175.07 2i5n s VAL 78 N 0.43 0.57 0.61 3.82 -7.23 -0.76 -3.94 120.40 113.90 2i5n s VAL 78 Ca -0.11 -0.61 -0.16 0.00 -1.81 0.00 0.00 61.98 59.29 2i5n s VAL 78 Cb -0.16 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.21 2i5n s VAL 78 CO 0.05 -0.05 1.08 -2.16 -0.31 0.00 0.00 175.10 173.72 2i5n s PRO 79 N -0.72 3.14 0.09 4.82 0.04 -1.26 -0.89 135.00 140.23 2i5n s PRO 79 Ca -0.02 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 2i5n s PRO 79 Cb -0.05 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2i5n s PRO 79 CO 0.00 -0.97 0.10 -0.98 0.04 0.00 0.00 177.00 175.20 2i5n s ARG 80 N -4.01 0.82 0.05 4.56 1.70 -1.25 -4.81 118.95 116.00 2i5n s ARG 80 Ca 0.65 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 54.44 2i5n s ARG 80 Cb -0.18 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.41 2i5n s ARG 80 CO 0.38 -0.23 1.47 0.50 -1.08 0.00 0.00 175.30 176.33 2i5n s ARG 81 N -3.93 4.27 -0.43 3.89 3.52 -1.26 -4.91 118.95 120.10 2i5n s ARG 81 Ca 0.11 2.09 0.06 0.00 -0.13 0.00 0.00 55.73 57.86 2i5n s ARG 81 Cb 0.06 -3.49 0.22 0.00 -1.56 0.00 0.00 34.95 30.18 2i5n s ARG 81 CO -0.07 -0.58 0.48 0.54 -0.81 0.00 0.00 175.30 174.85 2i5n n ARG 82 N 5.07 0.73 -2.02 5.12 1.74 -1.26 -5.12 116.66 120.92 2i5n n ARG 82 Ca 0.13 -3.38 -0.41 0.00 -0.77 0.00 0.00 57.85 53.43 2i5n n ARG 82 Cb 0.42 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 2i5n n ARG 82 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2i5n s PRO 83 N -0.88 4.23 -0.93 5.56 0.02 -1.26 -4.96 135.00 136.78 2i5n s PRO 83 Ca 0.34 2.31 -0.10 0.00 0.02 0.00 0.00 61.00 63.56 2i5n s PRO 83 Cb 0.11 -2.99 0.24 0.00 0.02 0.00 0.00 34.50 31.88 2i5n s PRO 83 CO -0.14 -0.33 0.88 -1.21 -0.33 0.00 0.00 177.00 175.87 2i5n s GLU 84 N -1.94 3.74 0.00 5.54 2.02 -1.26 -4.86 118.70 121.93 2i5n s GLU 84 Ca 0.51 -2.82 0.23 0.00 0.02 0.00 0.00 54.97 52.91 2i5n s GLU 84 Cb -0.41 -4.39 1.07 0.00 0.10 0.00 0.00 34.13 30.50 2i5n s GLU 84 CO 0.55 -1.26 1.73 2.41 0.02 0.00 0.00 175.26 178.71 2i5n n THR 85 N 3.32 0.08 -1.70 3.63 -1.04 -1.26 -4.87 114.28 112.44 2i5n n THR 85 Ca 0.18 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 2i5n n THR 85 Cb 0.43 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.00 2i5n n THR 85 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2i5n n ARG 86 N -0.20 2.53 -2.01 -2.82 0.63 -1.26 -4.91 116.66 108.62 2i5n n ARG 86 Ca 0.17 0.91 -0.42 0.00 -0.92 0.00 0.00 57.85 57.59 2i5n n ARG 86 Cb 0.23 -2.72 -0.03 0.00 0.45 0.00 0.00 32.46 30.40 2i5n n ARG 86 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2i5n s GLU 87 N 0.86 4.11 -0.26 -0.14 0.41 -1.26 -4.98 118.70 117.44 2i5n s GLU 87 Ca 0.75 2.13 -0.16 0.00 -0.41 0.00 0.00 54.97 57.28 2i5n s GLU 87 Cb -0.57 -4.00 -0.03 0.00 -1.78 0.00 0.00 34.13 27.75 2i5n s GLU 87 CO 0.36 -0.92 0.44 -0.51 -0.49 0.00 0.00 175.26 174.14 2i5n s LEU 88 N 4.26 4.05 -1.37 1.80 1.43 -1.26 -4.98 118.68 122.61 2i5n s LEU 88 Ca 0.74 0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.10 2i5n s LEU 88 Cb -0.32 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.37 2i5n s LEU 88 CO 0.30 -0.23 2.18 0.29 0.23 0.00 0.00 176.35 179.12 2i5n n LYS 89 N 5.41 2.70 -4.02 1.70 4.76 -1.26 -4.86 118.16 122.59 2i5n n LYS 89 Ca -0.06 -2.53 -0.11 0.00 -2.87 0.00 0.00 58.31 52.74 2i5n n LYS 89 Cb 0.50 -3.25 -0.12 0.00 -1.84 0.00 0.00 35.03 30.32 2i5n n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2i5n s LEU 90 N 2.16 2.20 0.09 -0.35 1.43 -1.26 -1.99 118.68 120.96 2i5n s LEU 90 Ca 0.48 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2i5n s LEU 90 Cb 0.14 -0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.28 2i5n s LEU 90 CO -0.06 -0.20 -0.15 0.00 0.23 0.00 0.00 176.35 176.16 2i5n s ALA 91 N -1.17 1.39 0.32 4.21 0.00 0.20 -4.86 121.76 121.84 2i5n s ALA 91 Ca -0.11 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2i5n s ALA 91 Cb -0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 2i5n s ALA 91 CO -0.00 0.18 1.36 -0.65 0.00 0.00 0.00 175.76 176.65 2i5n s GLN 92 N -2.05 4.30 0.26 0.00 -0.21 -1.26 -0.57 119.66 120.13 2i5n s GLN 92 Ca 0.03 2.28 0.24 0.00 0.02 0.00 0.00 55.36 57.93 2i5n s GLN 92 Cb -0.08 -3.07 0.42 0.00 1.00 0.00 0.00 33.01 31.28 2i5n s GLN 92 CO 0.03 -0.28 1.50 1.79 -2.12 0.00 0.00 175.29 176.21 2i5n h THR 93 N 3.14 0.00 -2.78 -0.19 1.35 -1.79 -3.45 112.91 109.19 2i5n h THR 93 Ca -0.48 -0.73 0.02 0.00 -0.55 0.00 0.00 66.41 64.66 2i5n h THR 93 Cb 1.23 1.56 -0.13 0.00 -1.73 0.00 0.00 68.15 69.07 2i5n h THR 93 CO 0.68 0.00 0.30 -0.62 -0.25 0.00 0.00 175.52 175.63 2i5n s ASP 94 N -5.14 -0.51 0.42 5.36 2.15 -1.26 -5.06 116.67 112.64 2i5n s ASP 94 Ca 0.07 -0.00 0.22 0.00 0.43 0.00 0.00 52.55 53.27 2i5n s ASP 94 Cb 0.10 0.53 0.86 0.00 -0.30 0.00 0.00 42.92 44.11 2i5n s ASP 94 CO 0.68 -0.86 1.81 1.23 -0.17 0.00 0.00 175.17 177.85 2i5n h GLY 95 N 2.00 0.00 -4.85 2.66 0.00 -1.99 -3.45 103.07 97.44 2i5n h GLY 95 Ca -0.30 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.42 2i5n h GLY 95 CO 0.36 0.00 0.50 0.33 0.00 0.00 0.00 176.54 177.73 2i5n n PHE 96 N -3.47 1.84 -0.24 5.60 7.35 -1.26 -4.88 117.46 122.39 2i5n n PHE 96 Ca -0.00 0.51 0.11 0.00 -0.76 0.00 0.00 57.45 57.31 2i5n n PHE 96 Cb 0.45 -2.40 0.38 0.00 0.35 0.00 0.00 39.48 38.26 2i5n n PHE 96 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2i5n h GLU 97 N 4.08 0.68 -0.51 -4.13 4.81 -2.04 -1.45 114.58 116.02 2i5n h GLU 97 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2i5n h GLU 97 Cb 1.30 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2i5n h GLU 97 CO 0.75 0.45 0.00 0.41 -0.73 0.00 0.00 179.01 179.89 2i5n n GLY 98 N -1.44 1.36 3.77 1.92 0.00 -1.26 -4.95 105.19 104.59 2i5n n GLY 98 Ca 0.16 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2i5n n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i5n s ALA 99 N -1.56 3.13 0.74 4.61 0.00 -0.55 -5.02 121.76 123.11 2i5n s ALA 99 Ca 0.30 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 2i5n s ALA 99 Cb 0.17 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.94 2i5n s ALA 99 CO 0.17 -0.58 1.07 -1.25 0.00 0.00 0.00 175.76 175.18 2i5n s PRO 100 N -2.36 2.55 0.16 0.00 0.04 -1.26 -4.84 135.00 129.29 2i5n s PRO 100 Ca 0.58 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2i5n s PRO 100 Cb -0.31 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2i5n s PRO 100 CO 0.39 -1.37 0.29 -0.51 0.04 0.00 0.00 177.00 175.83 2i5n s LEU 101 N -5.71 4.33 -0.01 -3.56 1.43 -1.26 -2.32 118.68 111.58 2i5n s LEU 101 Ca 0.59 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.91 2i5n s LEU 101 Cb -0.15 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 2i5n s LEU 101 CO 0.55 0.04 -0.19 0.00 0.23 0.00 0.00 176.35 176.98 2i5n s GLN 102 N -3.32 1.48 0.31 1.70 -2.07 0.26 -4.90 119.66 113.12 2i5n s GLN 102 Ca 0.34 -0.69 -0.29 0.00 -1.82 0.00 0.00 55.36 52.90 2i5n s GLN 102 Cb -0.11 -1.45 -0.13 0.00 -1.09 0.00 0.00 33.01 30.24 2i5n s GLN 102 CO 0.28 0.39 1.31 -2.30 -1.32 0.00 0.00 175.29 173.66 2i5n n PRO 103 N 2.53 2.06 0.01 9.60 -0.02 -1.26 -0.63 135.00 147.29 2i5n n PRO 103 Ca -0.15 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 2i5n n PRO 103 Cb 0.54 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2i5n n PRO 103 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2i5n n THR 104 N 0.84 0.09 -0.36 3.45 -2.24 -0.84 -4.81 114.28 110.41 2i5n n THR 104 Ca 0.07 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2i5n n THR 104 Cb 0.34 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2i5n n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i5n n GLY 105 N 1.41 5.59 3.57 3.38 0.00 -1.26 -5.07 105.19 112.80 2i5n n GLY 105 Ca 0.02 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2i5n n GLY 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i5n s ASN 106 N 1.00 6.48 0.49 1.61 3.84 -1.26 -4.92 114.94 122.17 2i5n s ASN 106 Ca 0.00 0.08 0.26 0.00 0.21 0.00 0.00 52.86 53.41 2i5n s ASN 106 Cb 0.00 -2.50 1.22 0.00 -0.55 0.00 0.00 41.25 39.43 2i5n s ASN 106 CO 0.00 -1.26 1.97 1.55 -2.79 0.00 0.00 177.10 176.57 2i5n h PRO 107 N 9.30 0.00 -0.06 0.43 0.13 -1.94 0.63 132.00 140.48 2i5n h PRO 107 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 2i5n h PRO 107 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2i5n h PRO 107 CO 1.11 0.17 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.90 2i5n h LEU 108 N 0.00 0.18 -0.26 1.56 3.38 -1.91 -0.47 115.31 117.79 2i5n h LEU 108 Ca -0.00 -0.52 -0.19 0.00 0.09 0.00 0.00 57.88 57.26 2i5n h LEU 108 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2i5n h LEU 108 CO 0.02 0.66 -0.59 0.58 0.09 0.00 0.00 178.44 179.20 2i5n h VAL 109 N -0.29 1.27 0.00 1.22 2.07 -1.85 -3.02 116.25 115.64 2i5n h VAL 109 Ca 0.01 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2i5n h VAL 109 Cb 0.62 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2i5n h VAL 109 CO 0.02 0.58 0.00 0.44 0.02 0.00 0.00 177.57 178.63 2i5n h ASP 110 N 0.64 0.00 -5.39 0.57 3.32 -0.93 -3.48 116.42 111.16 2i5n h ASP 110 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 2i5n h ASP 110 Cb 1.21 0.00 0.19 0.00 0.22 0.00 0.00 39.33 40.96 2i5n h ASP 110 CO 0.13 0.00 -0.84 0.00 -1.72 0.00 0.00 179.24 176.81 2i5n n ALA 111 N -1.80 -2.44 -2.50 3.45 0.00 -0.21 -4.80 120.51 112.22 2i5n n ALA 111 Ca 0.03 0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 2i5n n ALA 111 Cb 0.30 -5.67 -0.11 0.00 0.00 0.00 0.00 19.45 13.97 2i5n n ALA 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2i5n s VAL 112 N -3.38 1.54 0.00 0.00 -7.23 -1.05 -3.92 120.40 106.36 2i5n s VAL 112 Ca 0.45 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2i5n s VAL 112 Cb -0.06 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2i5n s VAL 112 CO 0.72 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 176.06 2i5n n GLY 113 N -0.76 2.85 0.00 2.32 0.00 -1.26 -1.51 105.19 106.83 2i5n n GLY 113 Ca -0.04 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.72 2i5n n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i5n n PRO 114 N 14.00 0.14 -0.16 1.61 -0.04 -1.26 -1.60 135.00 147.69 2i5n n PRO 114 Ca 0.00 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2i5n n PRO 114 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 2i5n n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i5n n ALA 115 N -1.30 2.47 -1.76 0.55 0.00 -0.57 -2.83 120.51 117.07 2i5n n ALA 115 Ca 0.05 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 2i5n n ALA 115 Cb 0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2i5n n ALA 115 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2i5n s SER 116 N -1.27 7.09 0.26 0.00 0.01 -0.63 -4.07 113.70 115.09 2i5n s SER 116 Ca 0.30 2.38 0.09 0.00 1.31 0.00 0.00 55.95 60.03 2i5n s SER 116 Cb 0.16 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2i5n s SER 116 CO 0.23 -0.28 0.06 -0.72 0.41 0.00 0.00 173.24 172.94 2i5n s TYR 117 N -1.18 2.83 0.27 2.43 1.13 -1.26 -4.74 117.35 116.83 2i5n s TYR 117 Ca 0.46 -0.18 -0.09 0.00 -1.41 0.00 0.00 57.07 55.85 2i5n s TYR 117 Cb -0.34 -1.26 -0.07 0.00 -1.10 0.00 0.00 41.96 39.19 2i5n s TYR 117 CO 0.44 0.59 0.59 0.00 -2.51 0.00 0.00 175.55 174.66 2i5n s ALA 118 N -2.24 3.53 -1.32 9.51 0.00 -1.26 -4.98 121.76 125.00 2i5n s ALA 118 Ca 0.32 -0.29 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 2i5n s ALA 118 Cb -0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2i5n s ALA 118 CO 0.21 0.39 2.37 0.39 0.00 0.00 0.00 175.76 179.12 2i5n n GLU 119 N -0.43 2.76 -1.34 0.00 -0.58 -1.26 -4.89 120.64 114.90 2i5n n GLU 119 Ca 0.01 -2.23 -0.29 0.00 -0.42 0.00 0.00 57.16 54.23 2i5n n GLU 119 Cb 0.53 -2.99 0.14 0.00 -0.57 0.00 0.00 31.44 28.54 2i5n n GLU 119 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2i5n s ARG 120 N 3.25 1.21 0.37 3.49 0.52 -1.26 -4.99 118.95 121.54 2i5n s ARG 120 Ca 0.54 0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 56.08 2i5n s ARG 120 Cb 0.15 -1.82 -0.10 0.00 0.52 0.00 0.00 34.95 33.70 2i5n s ARG 120 CO -0.04 -2.22 1.34 0.00 0.02 0.00 0.00 175.30 174.40 2i5n s ALA 121 N -3.06 3.42 -1.51 2.13 0.00 -1.26 -4.42 121.76 117.06 2i5n s ALA 121 Ca 0.63 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.81 2i5n s ALA 121 Cb -0.17 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 2i5n s ALA 121 CO 0.56 -0.79 2.96 0.39 0.00 0.00 0.00 175.76 178.88 2i5n n GLU 122 N 0.47 3.67 -4.96 0.00 -0.58 -1.26 -2.72 120.64 115.27 2i5n n GLU 122 Ca 0.02 -2.23 -0.26 0.00 -0.42 0.00 0.00 57.16 54.27 2i5n n GLU 122 Cb 0.42 -2.74 -0.16 0.00 -0.57 0.00 0.00 31.44 28.39 2i5n n GLU 122 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2i5n s VAL 123 N 1.84 1.56 -0.06 2.62 1.01 -1.26 -4.93 120.40 121.17 2i5n s VAL 123 Ca 0.69 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2i5n s VAL 123 Cb 0.19 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2i5n s VAL 123 CO -0.06 0.44 1.25 -0.69 0.00 0.00 0.00 175.10 176.04 2i5n s VAL 124 N -0.44 4.15 0.31 2.92 1.01 -1.26 -1.08 120.40 126.00 2i5n s VAL 124 Ca 0.07 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.24 2i5n s VAL 124 Cb -0.08 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 2i5n s VAL 124 CO -0.01 -0.02 1.48 -0.62 0.00 0.00 0.00 175.10 175.94 2i5n s ASP 125 N 1.63 6.50 0.12 3.32 2.15 -1.26 -4.90 116.67 124.24 2i5n s ASP 125 Ca 0.57 2.86 0.07 0.00 0.43 0.00 0.00 52.55 56.48 2i5n s ASP 125 Cb -0.26 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.68 2i5n s ASP 125 CO 0.22 -0.79 -0.05 0.00 -0.17 0.00 0.00 175.17 174.38 2i5n s ALA 126 N -0.45 3.09 0.89 3.66 0.00 -1.26 -0.67 121.76 127.02 2i5n s ALA 126 Ca 0.57 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2i5n s ALA 126 Cb -0.45 -0.97 0.12 0.00 0.00 0.00 0.00 23.12 21.82 2i5n s ALA 126 CO 0.51 0.61 1.12 0.95 0.00 0.00 0.00 175.76 178.94 2i5n s THR 127 N -1.39 2.37 0.49 0.00 -4.23 0.44 -4.68 115.64 108.63 2i5n s THR 127 Ca 0.24 0.12 0.18 0.00 -1.18 0.00 0.00 61.69 61.05 2i5n s THR 127 Cb -0.11 -2.82 0.34 0.00 1.34 0.00 0.00 72.50 71.25 2i5n s THR 127 CO 0.16 -0.16 2.02 1.62 -0.54 0.00 0.00 174.62 177.73 2i5n h VAL 128 N -1.43 0.87 -0.36 2.29 3.04 -1.99 -0.00 116.25 118.67 2i5n h VAL 128 Ca -0.50 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2i5n h VAL 128 Cb 1.31 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2i5n h VAL 128 CO 0.60 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.66 2i5n n ASP 129 N -4.45 2.13 0.00 3.17 8.00 -1.26 -4.94 116.55 119.20 2i5n n ASP 129 Ca 0.07 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.63 2i5n n ASP 129 Cb 0.39 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2i5n n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i5n n GLY 130 N 1.16 0.74 3.95 0.44 0.00 -0.02 -5.07 105.19 106.39 2i5n n GLY 130 Ca 0.14 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2i5n n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i5n s LYS 131 N -0.60 3.04 0.15 1.61 -0.14 -1.26 -4.76 119.74 117.79 2i5n s LYS 131 Ca 0.00 -0.40 -0.31 0.00 -1.36 0.00 0.00 55.97 53.89 2i5n s LYS 131 Cb 0.00 -2.51 -0.11 0.00 -1.68 0.00 0.00 37.83 33.53 2i5n s LYS 131 CO 0.00 -0.35 1.81 0.00 -0.76 0.00 0.00 175.35 176.05 2i5n s ALA 132 N -2.63 3.83 -0.10 5.17 0.00 -1.26 -0.42 121.76 126.34 2i5n s ALA 132 Ca 0.49 1.51 -0.28 0.00 0.00 0.00 0.00 51.96 53.69 2i5n s ALA 132 Cb -0.10 -3.75 -0.24 0.00 0.00 0.00 0.00 23.12 19.03 2i5n s ALA 132 CO 0.39 -1.14 0.93 -0.22 0.00 0.00 0.00 175.76 175.73 2i5n h LYS 133 N 8.04 0.02 -4.44 0.00 3.64 -1.17 -3.43 116.57 119.22 2i5n h LYS 133 Ca -0.45 -0.02 -0.73 0.00 -1.27 0.00 0.00 60.65 58.18 2i5n h LYS 133 Cb 1.21 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.82 2i5n h LYS 133 CO 0.95 0.85 -0.41 0.42 -2.27 0.00 0.00 179.45 179.00 2i5n s ILE 134 N -2.88 5.15 0.03 2.00 -1.09 -1.26 -1.36 121.20 121.79 2i5n s ILE 134 Ca -0.18 -0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 57.34 2i5n s ILE 134 Cb -0.01 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 2i5n s ILE 134 CO 0.69 -0.40 0.12 0.68 -1.23 0.00 0.00 174.94 174.80 2i5n s VAL 135 N 1.65 0.12 0.63 2.92 -7.23 -0.85 -4.36 120.40 113.27 2i5n s VAL 135 Ca 0.04 -0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 59.08 2i5n s VAL 135 Cb -0.21 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 2i5n s VAL 135 CO 0.08 -0.54 1.10 -2.16 -0.31 0.00 0.00 175.10 173.27 2i5n s PRO 136 N -2.31 3.02 0.54 4.82 0.04 -1.26 -0.52 135.00 139.33 2i5n s PRO 136 Ca -0.07 1.36 0.28 0.00 0.04 0.00 0.00 61.00 62.60 2i5n s PRO 136 Cb -0.03 -1.98 1.55 0.00 0.04 0.00 0.00 34.50 34.08 2i5n s PRO 136 CO -0.03 -1.07 2.12 -0.07 0.04 0.00 0.00 177.00 177.99 2i5n h LEU 137 N 0.29 0.00 -2.41 -3.56 3.38 -1.55 -0.21 115.31 111.25 2i5n h LEU 137 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2i5n h LEU 137 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2i5n h LEU 137 CO 0.55 0.09 -0.03 0.08 0.09 0.00 0.00 178.44 179.22 2i5n h ARG 138 N 0.00 0.00 0.00 1.13 0.11 -1.92 -2.98 114.38 110.72 2i5n h ARG 138 Ca -0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.74 2i5n h ARG 138 Cb 0.25 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.28 2i5n h ARG 138 CO 0.01 0.03 -1.87 0.28 0.10 0.00 0.00 179.97 178.53 2i5n n VAL 139 N -3.44 1.53 -1.83 0.08 0.31 -0.34 -4.69 118.33 109.96 2i5n n VAL 139 Ca -0.02 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.69 2i5n n VAL 139 Cb 0.14 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 2i5n n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i5n n ALA 140 N -3.79 5.39 0.23 3.52 0.00 -0.24 -4.77 120.51 120.84 2i5n n ALA 140 Ca -0.43 -3.90 0.12 0.00 0.00 0.00 0.00 53.44 49.23 2i5n n ALA 140 Cb 0.78 -3.52 0.35 0.00 0.00 0.00 0.00 19.45 17.07 2i5n n ALA 140 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2i5n h THR 141 N 4.10 0.19 -0.00 0.00 1.35 -1.83 -1.94 112.91 114.78 2i5n h THR 141 Ca 0.55 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2i5n h THR 141 Cb 0.66 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2i5n h THR 141 CO 1.84 0.09 -0.00 -0.90 -0.25 0.00 0.00 175.52 176.30 2i5n n ASP 142 N -3.16 0.12 -4.92 5.36 5.75 -1.26 -4.83 116.55 113.61 2i5n n ASP 142 Ca 0.02 -0.96 -0.29 0.00 -0.01 0.00 0.00 54.79 53.55 2i5n n ASP 142 Cb 0.47 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.50 2i5n n ASP 142 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2i5n s PHE 143 N -2.06 3.50 0.24 2.11 0.40 -0.73 -5.12 117.98 116.33 2i5n s PHE 143 Ca 0.45 0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.95 2i5n s PHE 143 Cb 0.22 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 2i5n s PHE 143 CO 0.38 0.53 0.39 -1.54 0.70 0.00 0.00 175.22 175.69 2i5n s SER 144 N -2.74 0.05 0.07 1.36 1.04 -1.26 -5.02 113.70 107.19 2i5n s SER 144 Ca 0.36 -1.09 -0.25 0.00 0.48 0.00 0.00 55.95 55.45 2i5n s SER 144 Cb -0.12 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 2i5n s SER 144 CO 0.28 -1.08 0.76 -0.63 0.98 0.00 0.00 173.24 173.54 2i5n s ILE 145 N -3.97 4.65 0.37 -1.02 1.01 -1.26 -5.04 121.20 115.94 2i5n s ILE 145 Ca 0.27 1.62 -0.28 0.00 0.00 0.00 0.00 60.65 62.26 2i5n s ILE 145 Cb 0.01 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 2i5n s ILE 145 CO 0.11 0.41 1.45 0.00 0.00 0.00 0.00 174.94 176.91 2i5n s ALA 146 N -0.35 3.55 0.21 9.38 0.00 -1.26 -4.94 121.76 128.35 2i5n s ALA 146 Ca 0.37 1.51 -0.32 0.00 0.00 0.00 0.00 51.96 53.52 2i5n s ALA 146 Cb -0.21 -3.58 -0.13 0.00 0.00 0.00 0.00 23.12 19.20 2i5n s ALA 146 CO 0.23 -0.98 1.60 -1.91 0.00 0.00 0.00 175.76 174.70 2i5n n GLU 147 N 0.50 2.42 0.00 0.00 2.13 -1.26 -2.49 120.64 121.93 2i5n n GLU 147 Ca 0.01 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.70 2i5n n GLU 147 Cb 0.40 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.46 2i5n n GLU 147 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i5n n GLY 148 N 3.15 2.80 3.92 8.31 0.00 -1.26 -5.09 105.19 117.01 2i5n n GLY 148 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2i5n n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i5n s ASP 149 N -1.27 6.14 0.20 1.61 1.01 -1.04 -5.06 116.67 118.26 2i5n s ASP 149 Ca 0.00 0.07 -0.31 0.00 0.71 0.00 0.00 52.55 53.02 2i5n s ASP 149 Cb 0.00 -1.78 -0.10 0.00 1.01 0.00 0.00 42.92 42.04 2i5n s ASP 149 CO 0.00 0.02 1.55 -0.69 0.21 0.00 0.00 175.17 176.26 2i5n s VAL 150 N -1.83 2.53 -0.49 -1.27 1.01 -1.26 -4.94 120.40 114.14 2i5n s VAL 150 Ca 0.34 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.49 2i5n s VAL 150 Cb -0.10 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2i5n s VAL 150 CO 0.28 0.04 0.79 -0.62 0.00 0.00 0.00 175.10 175.59 2i5n s ASP 151 N 0.87 6.34 0.00 3.32 -1.08 -1.26 -4.96 116.67 119.90 2i5n s ASP 151 Ca 0.67 -0.38 0.29 0.00 -0.52 0.00 0.00 52.55 52.60 2i5n s ASP 151 Cb -0.44 -2.38 1.27 0.00 -1.46 0.00 0.00 42.92 39.92 2i5n s ASP 151 CO 0.36 -1.00 1.93 -0.81 0.52 0.00 0.00 175.17 176.18 2i5n n PRO 152 N 6.80 0.10 -1.76 4.34 -0.04 -1.26 -4.84 135.00 138.34 2i5n n PRO 152 Ca -0.00 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 2i5n n PRO 152 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2i5n n PRO 152 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2i5n s ARG 153 N -2.90 4.15 0.00 0.54 0.52 -1.26 -1.14 118.95 118.86 2i5n s ARG 153 Ca 0.17 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 2i5n s ARG 153 Cb 0.19 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2i5n s ARG 153 CO 0.50 -0.83 0.00 0.41 0.02 0.00 0.00 175.30 175.40 2i5n n GLY 154 N 4.21 1.59 3.81 -3.53 0.00 0.65 -5.00 105.19 106.93 2i5n n GLY 154 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2i5n n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i5n s LEU 155 N 0.00 3.79 0.30 0.99 1.43 -0.29 -4.73 118.68 120.17 2i5n s LEU 155 Ca 0.00 1.78 -0.28 0.00 -1.03 0.00 0.00 54.13 54.59 2i5n s LEU 155 Cb 0.00 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 2i5n s LEU 155 CO 0.00 -0.66 1.05 -2.16 0.23 0.00 0.00 176.35 174.81 2i5n s PRO 156 N -3.46 4.58 -0.29 1.29 0.04 -1.26 -1.24 135.00 134.65 2i5n s PRO 156 Ca 0.64 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 2i5n s PRO 156 Cb -0.13 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2i5n s PRO 156 CO 0.22 0.20 0.53 0.08 0.04 0.00 0.00 177.00 178.07 2i5n s VAL 157 N -1.29 5.03 -0.24 -0.36 1.01 -0.16 -1.46 120.40 122.94 2i5n s VAL 157 Ca 0.47 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 2i5n s VAL 157 Cb -0.28 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2i5n s VAL 157 CO 0.36 -0.03 0.09 -0.69 0.00 0.00 0.00 175.10 174.82 2i5n s VAL 158 N 2.38 4.56 0.57 2.92 1.01 0.19 -0.38 120.40 131.65 2i5n s VAL 158 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2i5n s VAL 158 Cb -0.15 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.23 2i5n s VAL 158 CO 0.11 0.35 0.78 0.00 0.00 0.00 0.00 175.10 176.34 2i5n n ALA 159 N 4.63 -0.50 0.24 5.51 0.00 -0.64 -1.01 120.51 128.74 2i5n n ALA 159 Ca -0.16 -1.20 0.10 0.00 0.00 0.00 0.00 53.44 52.18 2i5n n ALA 159 Cb 0.52 0.06 0.63 0.00 0.00 0.00 0.00 19.45 20.66 2i5n n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i5n h ALA 160 N -1.28 1.37 -0.12 0.00 0.00 -0.11 -0.45 119.26 118.67 2i5n h ALA 160 Ca -0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2i5n h ALA 160 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2i5n h ALA 160 CO 0.21 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 2i5n n ASP 161 N -3.82 0.79 0.00 0.00 5.75 -1.26 -4.91 116.55 113.10 2i5n n ASP 161 Ca -0.02 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 2i5n n ASP 161 Cb 0.27 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2i5n n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i5n n GLY 162 N 0.84 0.45 3.85 6.12 0.00 -0.18 -5.02 105.19 111.26 2i5n n GLY 162 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2i5n n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i5n s VAL 163 N -1.97 5.36 0.01 1.61 1.01 -1.26 -4.80 120.40 120.36 2i5n s VAL 163 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 2i5n s VAL 163 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2i5n s VAL 163 CO 0.00 0.58 1.63 -0.70 0.00 0.00 0.00 175.10 176.62 2i5n s GLU 164 N -0.88 4.20 0.01 2.72 2.12 -1.26 -1.63 118.70 123.98 2i5n s GLU 164 Ca 0.17 2.24 0.22 0.00 0.36 0.00 0.00 54.97 57.96 2i5n s GLU 164 Cb -0.13 -3.77 -0.17 0.00 0.26 0.00 0.00 34.13 30.31 2i5n s GLU 164 CO 0.06 -0.77 0.81 0.00 -0.54 0.00 0.00 175.26 174.83 2i5n n ALA 165 N 6.26 3.73 0.00 6.30 0.00 0.49 -4.89 120.51 132.40 2i5n n ALA 165 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2i5n n ALA 165 Cb 0.42 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2i5n n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i5n n GLY 166 N 1.38 -1.39 3.07 0.00 0.00 -1.24 -0.89 105.19 106.12 2i5n n GLY 166 Ca 0.01 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 2i5n n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i5n s THR 167 N -2.98 1.31 0.14 2.61 2.01 -0.65 -0.98 115.64 117.10 2i5n s THR 167 Ca 0.00 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.09 2i5n s THR 167 Cb 0.00 -1.17 -0.09 0.00 0.01 0.00 0.00 72.50 71.25 2i5n s THR 167 CO 0.00 0.39 1.43 -0.69 -0.69 0.00 0.00 174.62 175.07 2i5n s VAL 168 N 0.51 3.09 -0.01 3.82 1.01 -0.38 -0.84 120.40 127.60 2i5n s VAL 168 Ca -0.13 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.68 2i5n s VAL 168 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2i5n s VAL 168 CO 0.04 0.07 0.06 0.35 0.00 0.00 0.00 175.10 175.62 2i5n n THR 169 N 3.81 0.08 -3.86 3.92 -2.24 0.38 -0.25 114.28 116.12 2i5n n THR 169 Ca 0.12 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 2i5n n THR 169 Cb 0.41 -0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 2i5n n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i5n s ASP 170 N -2.75 -0.21 -0.01 3.42 -1.08 -1.10 -4.88 116.67 110.07 2i5n s ASP 170 Ca -0.01 -0.71 0.07 0.00 -0.52 0.00 0.00 52.55 51.38 2i5n s ASP 170 Cb 0.02 0.75 -0.02 0.00 -1.46 0.00 0.00 42.92 42.20 2i5n s ASP 170 CO 0.15 -1.40 -0.24 -0.76 0.52 0.00 0.00 175.17 173.45 2i5n s LEU 171 N -2.95 2.22 -0.24 -1.34 1.02 -1.26 -1.01 118.68 115.12 2i5n s LEU 171 Ca 0.12 -0.44 -0.09 0.00 0.02 0.00 0.00 54.13 53.74 2i5n s LEU 171 Cb -0.06 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.73 2i5n s LEU 171 CO 0.08 0.31 0.12 0.26 0.02 0.00 0.00 176.35 177.14 2i5n s TRP 172 N -0.68 3.23 0.02 0.29 0.52 0.44 -1.49 118.94 121.27 2i5n s TRP 172 Ca 0.11 0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.28 2i5n s TRP 172 Cb -0.10 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2i5n s TRP 172 CO 0.00 -0.05 0.02 0.54 0.02 0.00 0.00 176.95 177.48 2i5n s VAL 173 N 1.16 4.25 -0.52 4.03 0.11 0.32 -1.41 120.40 128.34 2i5n s VAL 173 Ca 0.06 -0.65 -0.23 0.00 -2.93 0.00 0.00 61.98 58.22 2i5n s VAL 173 Cb -0.14 -2.94 0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2i5n s VAL 173 CO 0.05 0.31 0.88 -0.62 -3.33 0.00 0.00 175.10 172.38 2i5n s ASP 174 N -1.78 6.35 0.51 3.54 -1.08 0.55 -2.00 116.67 122.77 2i5n s ASP 174 Ca 0.22 -0.33 0.30 0.00 -0.52 0.00 0.00 52.55 52.22 2i5n s ASP 174 Cb -0.12 -2.41 1.17 0.00 -1.46 0.00 0.00 42.92 40.10 2i5n s ASP 174 CO 0.13 -1.12 1.92 0.03 0.52 0.00 0.00 175.17 176.65 2i5n h ARG 175 N 9.20 0.00 0.06 4.34 3.08 -1.53 -0.11 114.38 129.42 2i5n h ARG 175 Ca -0.26 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.54 2i5n h ARG 175 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2i5n h ARG 175 CO 1.05 0.07 -1.19 0.77 -1.07 0.00 0.00 179.97 179.60 2i5n h SER 176 N 0.00 0.21 -0.01 7.04 0.02 -1.92 -3.37 113.55 115.52 2i5n h SER 176 Ca -0.00 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2i5n h SER 176 Cb 0.61 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2i5n h SER 176 CO 0.01 1.19 -0.04 -0.62 -1.14 0.00 0.00 176.83 176.23 2i5n n GLU 177 N -3.42 0.66 -3.37 3.45 1.02 -1.16 -5.04 120.64 112.79 2i5n n GLU 177 Ca -0.06 -0.84 -0.18 0.00 -0.02 0.00 0.00 57.16 56.06 2i5n n GLU 177 Cb 0.99 -1.11 0.07 0.00 -0.02 0.00 0.00 31.44 31.37 2i5n n GLU 177 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2i5n n HIS 178 N 0.24 -2.31 -3.66 -0.32 8.25 -0.07 -5.01 115.22 112.33 2i5n n HIS 178 Ca 0.04 0.80 -0.07 0.00 -0.26 0.00 0.00 57.72 58.23 2i5n n HIS 178 Cb 0.18 -4.12 -0.08 0.00 1.12 0.00 0.00 29.99 27.09 2i5n n HIS 178 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2i5n s TYR 179 N -3.41 -0.93 0.17 4.41 5.04 -1.17 -4.99 117.35 116.46 2i5n s TYR 179 Ca 0.39 1.78 -0.30 0.00 -2.44 0.00 0.00 57.07 56.51 2i5n s TYR 179 Cb -0.07 0.48 -0.08 0.00 0.35 0.00 0.00 41.96 42.65 2i5n s TYR 179 CO 0.76 -0.49 1.14 -0.06 -1.34 0.00 0.00 175.55 175.56 2i5n s PHE 180 N 2.08 3.53 0.00 4.97 0.08 -1.26 -0.33 117.98 127.05 2i5n s PHE 180 Ca -0.07 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2i5n s PHE 180 Cb -0.09 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2i5n s PHE 180 CO -0.16 -0.83 0.00 0.54 -0.10 0.00 0.00 175.22 174.67 2i5n n ARG 181 N 2.54 2.57 -4.07 0.44 1.74 -0.50 -4.88 116.66 114.51 2i5n n ARG 181 Ca 0.04 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2i5n n ARG 181 Cb 0.46 -0.98 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 2i5n n ARG 181 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2i5n s TYR 182 N -1.95 0.62 0.09 -1.55 1.51 -1.16 -1.40 117.35 113.51 2i5n s TYR 182 Ca 0.00 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 2i5n s TYR 182 Cb 0.00 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 2i5n s TYR 182 CO 0.00 -0.13 0.21 -0.51 -1.11 0.00 0.00 175.55 174.01 2i5n s LEU 183 N -1.89 4.29 -0.08 -1.29 1.43 -0.20 -0.42 118.68 120.52 2i5n s LEU 183 Ca -0.06 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2i5n s LEU 183 Cb -0.06 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 2i5n s LEU 183 CO -0.01 0.14 -0.14 -0.70 0.23 0.00 0.00 176.35 175.87 2i5n s GLU 184 N -2.69 2.86 0.09 1.70 2.12 -0.18 -1.33 118.70 121.27 2i5n s GLU 184 Ca 0.34 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 55.02 2i5n s GLU 184 Cb -0.12 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 2i5n s GLU 184 CO 0.27 0.47 -0.10 -0.48 -0.54 0.00 0.00 175.26 174.88 2i5n s LEU 185 N -0.31 2.37 -0.09 2.70 2.34 -0.16 -0.47 118.68 125.07 2i5n s LEU 185 Ca 0.03 -0.76 -0.23 0.00 0.06 0.00 0.00 54.13 53.22 2i5n s LEU 185 Cb -0.13 -0.29 -0.03 0.00 -0.56 0.00 0.00 46.19 45.18 2i5n s LEU 185 CO 0.03 -0.24 0.71 -0.44 -1.06 0.00 0.00 176.35 175.34 2i5n s SER 186 N -2.27 6.97 -0.17 1.48 0.01 -0.02 -0.97 113.70 118.73 2i5n s SER 186 Ca 0.03 1.17 -0.26 0.00 1.31 0.00 0.00 55.95 58.20 2i5n s SER 186 Cb -0.04 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 2i5n s SER 186 CO 0.00 -0.16 0.85 -0.69 0.41 0.00 0.00 173.24 173.65 2i5n s VAL 187 N 1.02 4.87 0.12 3.43 1.01 -0.35 -1.64 120.40 128.85 2i5n s VAL 187 Ca 0.37 1.66 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 2i5n s VAL 187 Cb -0.17 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 2i5n s VAL 187 CO 0.17 0.01 1.82 0.00 0.00 0.00 0.00 175.10 177.10 2i5n s ALA 188 N 2.22 3.77 0.00 5.51 0.00 -0.07 -2.47 121.76 130.72 2i5n s ALA 188 Ca 0.39 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2i5n s ALA 188 Cb -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2i5n s ALA 188 CO 0.12 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.08 2i5n n GLY 189 N 4.21 0.68 0.15 0.00 0.00 -1.26 -4.85 105.19 104.13 2i5n n GLY 189 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2i5n n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i5n n SER 190 N -0.05 1.55 -3.91 1.61 7.64 -1.03 -5.02 113.62 114.41 2i5n n SER 190 Ca 0.00 -1.37 -0.26 0.00 1.01 0.00 0.00 58.87 58.25 2i5n n SER 190 Cb 0.03 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2i5n n SER 190 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i5n n ALA 191 N 0.09 -1.84 -3.24 -0.43 0.00 -1.25 -4.95 120.51 108.88 2i5n n ALA 191 Ca 0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2i5n n ALA 191 Cb 0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 2i5n n ALA 191 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2i5n s ARG 192 N -6.45 1.13 0.15 0.00 1.70 -1.26 -5.06 118.95 109.15 2i5n s ARG 192 Ca 0.16 -0.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.97 2i5n s ARG 192 Cb -0.08 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 2i5n s ARG 192 CO 0.87 -0.45 0.29 -0.08 -1.08 0.00 0.00 175.30 174.84 2i5n s THR 193 N -3.36 5.32 -0.01 4.99 -1.32 -1.26 -1.22 115.64 118.79 2i5n s THR 193 Ca -0.00 -0.63 -0.05 0.00 -1.21 0.00 0.00 61.69 59.80 2i5n s THR 193 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 2i5n s THR 193 CO -0.09 -0.08 0.10 0.00 -2.21 0.00 0.00 174.62 172.34 2i5n s ALA 194 N -1.73 -0.22 0.12 11.08 0.00 -0.15 -4.89 121.76 125.96 2i5n s ALA 194 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 2i5n s ALA 194 Cb -0.11 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2i5n s ALA 194 CO 0.28 -0.15 0.28 -0.51 0.00 0.00 0.00 175.76 175.67 2i5n s LEU 195 N -0.96 4.32 -0.02 0.00 1.02 -1.26 -0.99 118.68 120.79 2i5n s LEU 195 Ca -0.10 0.31 0.01 0.00 0.02 0.00 0.00 54.13 54.36 2i5n s LEU 195 Cb -0.06 -3.03 0.02 0.00 0.02 0.00 0.00 46.19 43.14 2i5n s LEU 195 CO 0.01 0.09 -0.01 -0.51 0.02 0.00 0.00 176.35 175.95 2i5n s ILE 196 N -1.65 0.17 0.41 -0.59 2.07 -0.44 -4.99 121.20 116.18 2i5n s ILE 196 Ca 0.36 0.04 -0.26 0.00 -1.41 0.00 0.00 60.65 59.38 2i5n s ILE 196 Cb -0.12 -0.24 -0.09 0.00 0.13 0.00 0.00 42.46 42.14 2i5n s ILE 196 CO 0.28 0.12 1.40 -2.84 -1.91 0.00 0.00 174.94 171.99 2i5n s PRO 197 N 0.73 3.91 0.57 3.50 0.02 -1.26 -1.03 135.00 141.43 2i5n s PRO 197 Ca -0.07 2.38 0.34 0.00 0.02 0.00 0.00 61.00 63.67 2i5n s PRO 197 Cb -0.10 -2.79 1.68 0.00 0.02 0.00 0.00 34.50 33.31 2i5n s PRO 197 CO -0.01 -0.62 2.12 -0.07 -0.33 0.00 0.00 177.00 178.08 2i5n h LEU 198 N 2.66 0.00 -2.28 -5.54 3.38 -1.56 -1.75 115.31 110.21 2i5n h LEU 198 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2i5n h LEU 198 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2i5n h LEU 198 CO 0.62 0.05 -0.01 1.23 0.09 0.00 0.00 178.44 180.43 2i5n h GLY 199 N 1.01 0.00 -1.40 0.83 0.00 -1.91 -1.48 103.07 100.12 2i5n h GLY 199 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2i5n h GLY 199 CO 0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 2i5n n PHE 200 N -3.12 0.28 -4.13 5.60 3.72 -0.66 -4.90 117.46 114.24 2i5n n PHE 200 Ca -0.01 -0.14 -0.35 0.00 -0.05 0.00 0.00 57.45 56.90 2i5n n PHE 200 Cb 0.18 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.60 2i5n n PHE 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2i5n s ASP 202 N 0.83 6.20 -0.52 0.00 -1.08 -0.05 -4.95 116.67 117.10 2i5n s ASP 202 Ca 0.01 -1.21 -0.26 0.00 -0.52 0.00 0.00 52.55 50.56 2i5n s ASP 202 Cb -0.14 -2.30 0.03 0.00 -1.46 0.00 0.00 42.92 39.05 2i5n s ASP 202 CO 0.02 -1.03 1.04 -0.69 0.52 0.00 0.00 175.17 175.02 2i5n s VAL 203 N 2.70 4.29 0.44 1.11 1.01 -1.26 -1.33 120.40 127.36 2i5n s VAL 203 Ca 0.13 0.77 0.07 0.00 0.00 0.00 0.00 61.98 62.95 2i5n s VAL 203 Cb -0.22 -4.57 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 2i5n s VAL 203 CO 0.09 -1.06 0.36 -0.54 0.00 0.00 0.00 175.10 173.95 2i5n s LYS 204 N 4.23 2.44 0.37 2.72 1.02 -0.36 -5.03 119.74 125.13 2i5n s LYS 204 Ca 0.39 -1.65 0.16 0.00 0.02 0.00 0.00 55.97 54.88 2i5n s LYS 204 Cb -0.09 -2.29 0.70 0.00 -0.52 0.00 0.00 37.83 35.63 2i5n s LYS 204 CO 0.26 -0.26 1.78 0.87 -0.92 0.00 0.00 175.35 177.07 2i5n h LYS 205 N 1.02 0.00 -0.01 1.68 1.57 -2.01 -3.29 116.57 115.55 2i5n h LYS 205 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2i5n h LYS 205 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2i5n h LYS 205 CO 0.59 0.40 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.42 2i5n n ASP 206 N -3.81 1.20 -3.53 0.86 5.75 -1.26 -5.03 116.55 110.73 2i5n n ASP 206 Ca -0.01 -1.10 -0.07 0.00 -0.01 0.00 0.00 54.79 53.60 2i5n n ASP 206 Cb 0.47 0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.74 2i5n n ASP 206 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2i5n s LYS 207 N -0.66 0.77 -0.25 0.11 -2.85 -1.24 -4.44 119.74 111.19 2i5n s LYS 207 Ca 0.05 -0.30 -0.05 0.00 -1.00 0.00 0.00 55.97 54.67 2i5n s LYS 207 Cb 0.04 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 2i5n s LYS 207 CO 0.09 -0.34 0.02 0.42 0.10 0.00 0.00 175.35 175.64 2i5n s ILE 208 N -3.03 3.76 -0.14 3.79 -1.09 -0.53 -1.23 121.20 122.74 2i5n s ILE 208 Ca 0.06 -0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 57.86 2i5n s ILE 208 Cb -0.01 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 2i5n s ILE 208 CO -0.08 0.30 0.33 -0.69 -1.23 0.00 0.00 174.94 173.57 2i5n s VAL 209 N 1.51 5.27 -0.27 2.92 1.01 -0.44 -0.63 120.40 129.77 2i5n s VAL 209 Ca 0.05 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2i5n s VAL 209 Cb -0.15 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2i5n s VAL 209 CO 0.00 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 2i5n s VAL 210 N 0.26 1.49 -2.06 2.92 1.01 -0.18 -0.87 120.40 122.97 2i5n s VAL 210 Ca 0.19 -1.46 0.26 0.00 0.00 0.00 0.00 61.98 60.97 2i5n s VAL 210 Cb -0.14 -1.91 0.28 0.00 0.00 0.00 0.00 36.38 34.62 2i5n s VAL 210 CO 0.06 -0.34 1.51 0.35 0.00 0.00 0.00 175.10 176.68 2i5n n THR 211 N 4.64 0.00 0.05 3.92 -2.24 -1.26 -1.30 114.28 118.09 2i5n n THR 211 Ca -0.06 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2i5n n THR 211 Cb 0.43 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2i5n n THR 211 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2i5n h SER 212 N 1.91 0.53 -4.29 3.42 4.64 -1.88 -3.43 113.55 114.44 2i5n h SER 212 Ca 0.00 -0.38 -0.29 0.00 -0.47 0.00 0.00 61.79 60.65 2i5n h SER 212 Cb 0.58 -0.16 -0.15 0.00 -0.31 0.00 0.00 62.40 62.36 2i5n h SER 212 CO 0.00 1.15 -0.69 0.27 -0.87 0.00 0.00 176.83 176.69 2i5n s ILE 213 N -3.46 0.89 0.64 0.95 -4.36 -1.26 -3.45 121.20 111.15 2i5n s ILE 213 Ca -0.06 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.23 2i5n s ILE 213 Cb 0.10 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 2i5n s ILE 213 CO 0.86 -0.69 1.03 -0.76 0.24 0.00 0.00 174.94 175.62 2i5n s LEU 214 N -3.14 3.11 0.18 0.37 1.43 -1.26 -1.52 118.68 117.85 2i5n s LEU 214 Ca 0.18 1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 2i5n s LEU 214 Cb 0.05 -4.09 0.15 0.00 0.03 0.00 0.00 46.19 42.33 2i5n s LEU 214 CO 0.00 -1.08 1.76 0.77 0.23 0.00 0.00 176.35 178.04 2i5n h SER 215 N -0.41 0.25 -0.20 2.29 4.64 -1.90 -1.56 113.55 116.65 2i5n h SER 215 Ca -0.45 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.96 2i5n h SER 215 Cb 1.23 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2i5n h SER 215 CO 0.63 0.17 0.14 1.05 -0.87 0.00 0.00 176.83 177.95 2i5n h GLU 216 N 0.40 0.07 0.00 4.77 4.11 -1.96 -2.51 114.58 119.46 2i5n h GLU 216 Ca 0.23 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2i5n h GLU 216 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2i5n h GLU 216 CO -0.21 0.04 0.00 1.04 0.07 0.00 0.00 179.01 179.96 2i5n n GLN 217 N -4.49 0.11 0.29 1.06 6.02 -0.59 -2.67 117.38 117.11 2i5n n GLN 217 Ca 0.01 0.17 0.16 0.00 -0.01 0.00 0.00 57.00 57.33 2i5n n GLN 217 Cb 0.23 -1.65 0.84 0.00 1.02 0.00 0.00 30.24 30.68 2i5n n GLN 217 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2i5n h PHE 218 N 0.00 0.00 0.00 1.08 -1.00 -1.51 -3.04 116.94 112.47 2i5n h PHE 218 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2i5n h PHE 218 Cb 0.51 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 2i5n h PHE 218 CO 0.00 0.06 -0.08 0.00 -1.61 0.00 0.00 178.31 176.68 2i5n h ALA 219 N 1.94 1.78 -0.33 2.45 0.00 -1.72 -3.01 119.26 120.36 2i5n h ALA 219 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i5n h ALA 219 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i5n h ALA 219 CO 0.01 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.45 2i5n n ASN 220 N -4.31 3.63 -4.68 0.00 5.03 -1.15 -5.00 115.26 108.78 2i5n n ASN 220 Ca -0.03 -2.58 -0.45 0.00 0.87 0.00 0.00 54.58 52.40 2i5n n ASN 220 Cb 0.16 -0.43 -0.03 0.00 -1.02 0.00 0.00 39.78 38.46 2i5n n ASN 220 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2i5n n VAL 221 N 0.04 0.71 -1.57 2.41 0.31 -1.14 -4.89 118.33 114.21 2i5n n VAL 221 Ca 0.18 -0.18 -0.47 0.00 -0.01 0.00 0.00 64.34 63.86 2i5n n VAL 221 Cb 0.72 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 2i5n n VAL 221 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2i5n n PRO 222 N 2.40 1.13 -3.75 5.55 -0.02 -1.26 -4.97 135.00 134.07 2i5n n PRO 222 Ca 0.13 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.65 2i5n n PRO 222 Cb 0.31 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 2i5n n PRO 222 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2i5n s ARG 223 N -0.96 3.59 0.50 -0.52 0.52 -1.26 -4.78 118.95 116.04 2i5n s ARG 223 Ca 0.66 -0.02 -0.18 0.00 -0.52 0.00 0.00 55.73 55.66 2i5n s ARG 223 Cb -0.79 -3.12 -0.08 0.00 0.52 0.00 0.00 34.95 31.47 2i5n s ARG 223 CO 0.56 0.68 1.00 -0.51 0.02 0.00 0.00 175.30 177.06 2i5n s LEU 224 N -1.50 3.73 0.22 2.53 1.43 -1.26 -4.98 118.68 118.85 2i5n s LEU 224 Ca 0.24 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 2i5n s LEU 224 Cb -0.13 -4.53 0.20 0.00 0.03 0.00 0.00 46.19 41.75 2i5n s LEU 224 CO 0.13 -0.70 1.57 -0.61 0.23 0.00 0.00 176.35 176.98 2i5n h GLN 225 N 1.23 0.54 -5.78 1.70 5.75 -1.99 -3.46 115.11 113.11 2i5n h GLN 225 Ca -0.48 -0.29 -0.58 0.00 -0.15 0.00 0.00 58.65 57.15 2i5n h GLN 225 Cb 1.20 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.63 2i5n h GLN 225 CO 0.60 0.88 -0.67 -1.12 -2.65 0.00 0.00 178.83 175.87 2i5n s SER 226 N -6.87 3.43 -0.06 -0.69 0.01 -1.26 -5.07 113.70 103.18 2i5n s SER 226 Ca -0.07 -1.21 0.05 0.00 1.31 0.00 0.00 55.95 56.02 2i5n s SER 226 Cb 0.12 -0.29 -0.24 0.00 0.21 0.00 0.00 66.02 65.81 2i5n s SER 226 CO 0.83 -0.27 0.60 0.03 0.41 0.00 0.00 173.24 174.83 2i5n h ARG 227 N 2.08 0.11 0.00 12.44 -0.00 -2.04 -3.39 114.38 123.58 2i5n h ARG 227 Ca -0.41 -0.19 0.00 0.00 -0.50 0.00 0.00 59.98 58.87 2i5n h ARG 227 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.29 2i5n h ARG 227 CO 0.70 0.80 -0.00 -0.25 0.00 0.00 0.00 179.97 181.22 2i5n n ASP 228 N -3.24 2.03 -3.91 7.04 8.00 -1.26 -4.98 116.55 120.23 2i5n n ASP 228 Ca -0.21 -2.26 -0.09 0.00 0.71 0.00 0.00 54.79 52.93 2i5n n ASP 228 Cb 1.05 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.96 2i5n n ASP 228 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i5n s GLN 229 N -1.46 0.93 -0.03 -1.24 -2.07 -1.26 -4.55 119.66 109.97 2i5n s GLN 229 Ca 0.08 -1.06 -0.03 0.00 -1.82 0.00 0.00 55.36 52.54 2i5n s GLN 229 Cb 0.07 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.34 2i5n s GLN 229 CO 0.01 -0.30 0.09 -1.50 -1.32 0.00 0.00 175.29 172.26 2i5n s ILE 230 N -3.90 -0.00 0.47 3.63 2.07 -1.26 -4.49 121.20 117.72 2i5n s ILE 230 Ca 0.10 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2i5n s ILE 230 Cb 0.05 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.48 2i5n s ILE 230 CO -0.07 0.00 0.73 0.42 -1.91 0.00 0.00 174.94 174.11 2i5n s THR 231 N 0.07 4.44 0.23 4.00 -4.23 -1.26 -4.15 115.64 114.74 2i5n s THR 231 Ca -0.00 -0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.28 2i5n s THR 231 Cb -0.01 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.36 2i5n s THR 231 CO 0.00 -0.57 1.87 -0.07 -0.54 0.00 0.00 174.62 175.30 2i5n h LEU 232 N 0.29 0.88 -0.66 4.79 3.38 -1.20 -0.79 115.31 122.00 2i5n h LEU 232 Ca -0.47 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 2i5n h LEU 232 Cb 1.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2i5n h LEU 232 CO 0.60 0.59 -0.30 -0.09 0.09 0.00 0.00 178.44 179.34 2i5n h ARG 233 N 1.03 0.72 -0.70 1.13 2.43 -1.72 -2.53 114.38 114.73 2i5n h ARG 233 Ca 0.35 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2i5n h ARG 233 Cb 0.06 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2i5n h ARG 233 CO -0.13 0.93 0.24 0.93 -1.51 0.00 0.00 179.97 180.43 2i5n h GLU 234 N 0.61 1.07 -0.75 0.20 5.08 -1.71 -0.70 114.58 118.38 2i5n h GLU 234 Ca 0.07 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2i5n h GLU 234 Cb 0.81 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 2i5n h GLU 234 CO 0.07 0.91 0.46 0.93 -1.00 0.00 0.00 179.01 180.37 2i5n h GLU 235 N 1.02 0.83 -0.35 2.33 5.08 -0.98 -0.64 114.58 121.87 2i5n h GLU 235 Ca 0.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2i5n h GLU 235 Cb 0.27 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2i5n h GLU 235 CO -0.01 0.55 0.15 -0.44 -1.00 0.00 0.00 179.01 178.26 2i5n h ASP 236 N 0.86 0.47 -0.61 1.42 5.19 -1.07 -2.13 116.42 120.55 2i5n h ASP 236 Ca 0.32 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2i5n h ASP 236 Cb 0.11 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 2i5n h ASP 236 CO -0.15 0.50 0.32 0.11 -3.12 0.00 0.00 179.24 176.90 2i5n h LYS 237 N 0.42 0.86 0.08 3.56 1.57 -0.65 -1.12 116.57 121.28 2i5n h LYS 237 Ca 0.12 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i5n h LYS 237 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2i5n h LYS 237 CO -0.01 0.67 -0.04 0.28 -0.57 0.00 0.00 179.45 179.78 2i5n h VAL 238 N 0.83 1.15 -0.50 0.50 2.07 -1.10 -2.78 116.25 116.41 2i5n h VAL 238 Ca 0.21 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.93 2i5n h VAL 238 Cb 0.07 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2i5n h VAL 238 CO -0.03 0.20 0.31 0.28 0.02 0.00 0.00 177.57 178.35 2i5n h SER 239 N -0.48 0.52 -0.29 0.57 0.02 -1.35 -2.96 113.55 109.58 2i5n h SER 239 Ca -0.01 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2i5n h SER 239 Cb 0.41 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2i5n h SER 239 CO 0.02 0.37 0.05 0.00 -1.14 0.00 0.00 176.83 176.12 2i5n h ALA 240 N 1.21 1.37 -0.28 3.77 0.00 -1.23 -2.57 119.26 121.53 2i5n h ALA 240 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i5n h ALA 240 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2i5n h ALA 240 CO -0.07 0.44 0.17 -0.92 0.00 0.00 0.00 179.25 178.87 2i5n h TYR 241 N 0.56 0.36 -0.45 0.00 3.20 -1.32 0.58 116.97 119.91 2i5n h TYR 241 Ca 0.12 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 2i5n h TYR 241 Cb 0.29 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2i5n h TYR 241 CO 0.01 0.25 -0.24 1.88 -1.64 0.00 0.00 178.16 178.42 2i5n h TYR 242 N 0.36 1.10 -0.98 -3.82 0.05 -1.58 -2.94 116.97 109.17 2i5n h TYR 242 Ca 0.10 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 58.62 2i5n h TYR 242 Cb -0.01 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.43 2i5n h TYR 242 CO -0.05 1.10 0.65 0.00 -1.05 0.00 0.00 178.16 178.81 2i5n h ALA 243 N 0.84 1.33 -0.77 3.88 0.00 -1.19 -1.50 119.26 121.85 2i5n h ALA 243 Ca 0.10 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2i5n h ALA 243 Cb 0.82 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2i5n h ALA 243 CO 0.07 0.60 0.51 0.78 0.00 0.00 0.00 179.25 181.21 2i5n h GLY 244 N 1.29 0.93 2.00 0.00 0.00 -0.71 -2.12 103.07 104.46 2i5n h GLY 244 Ca 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 2i5n h GLY 244 CO -0.10 0.13 -0.20 -1.33 0.00 0.00 0.00 176.54 175.03 2i5n h GLY 245 N 0.61 0.00 1.24 4.60 0.00 -1.16 -0.29 103.07 108.07 2i5n h GLY 245 Ca 0.37 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.76 2i5n h GLY 245 CO -0.14 0.00 0.36 1.41 0.00 0.00 0.00 176.54 178.17 2i5n h LEU 246 N 0.00 0.42 0.00 3.11 3.38 -1.38 -0.85 115.31 120.00 2i5n h LEU 246 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2i5n h LEU 246 Cb 0.52 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2i5n h LEU 246 CO 0.03 0.28 -2.03 -0.11 0.09 0.00 0.00 178.44 176.70 2i5n n LEU 247 N -4.47 0.00 0.00 1.67 7.94 -0.92 -4.77 117.00 116.44 2i5n n LEU 247 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2i5n n LEU 247 Cb 0.25 0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.40 2i5n n LEU 247 CO 0.34 0.20 0.18 -1.22 -1.11 0.00 0.00 177.39 175.79 2i5n n TYR 248 N -2.39 0.00 0.06 1.96 4.01 -0.17 -2.41 117.16 118.22 2i5n n TYR 248 Ca -0.15 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.63 2i5n n TYR 248 Cb 0.76 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 40.25 2i5n n TYR 248 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2i5n h ALA 249 N 0.00 1.73 -2.74 -0.72 0.00 -1.34 -3.41 119.26 112.78 2i5n h ALA 249 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2i5n h ALA 249 Cb 0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 17.58 2i5n h ALA 249 CO 0.00 0.23 -0.73 0.95 0.00 0.00 0.00 179.25 179.70 2i5n s THR 250 N -5.33 0.92 0.46 0.00 -4.23 -1.26 -4.79 115.64 101.41 2i5n s THR 250 Ca -0.07 -1.63 0.17 0.00 -1.18 0.00 0.00 61.69 58.98 2i5n s THR 250 Cb 0.17 -1.34 0.34 0.00 1.34 0.00 0.00 72.50 73.01 2i5n s THR 250 CO 0.72 -0.56 1.98 -0.65 -0.54 0.00 0.00 174.62 175.58 2i5n h PRO 251 N 3.58 0.29 -0.27 3.99 0.11 -1.91 -2.38 132.00 135.41 2i5n h PRO 251 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2i5n h PRO 251 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2i5n h PRO 251 CO 0.53 0.19 0.10 1.49 -0.21 0.00 0.00 178.00 180.10 2i5n h GLU 252 N 0.30 0.37 0.00 1.05 4.81 -1.96 -3.24 114.58 115.92 2i5n h GLU 252 Ca 0.27 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2i5n h GLU 252 Cb 0.66 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2i5n h GLU 252 CO -0.06 0.31 -0.21 0.00 -0.73 0.00 0.00 179.01 178.32 2i5n h ARG 253 N 0.37 0.00 0.00 1.92 3.08 -1.63 -1.97 114.38 116.15 2i5n h ARG 253 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2i5n h ARG 253 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2i5n h ARG 253 CO -0.01 0.21 -0.12 0.00 -1.07 0.00 0.00 179.97 178.98 2i5n h ALA 254 N 1.79 0.94 -2.36 0.04 0.00 -1.49 -3.45 119.26 114.72 2i5n h ALA 254 Ca -0.00 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 54.33 2i5n h ALA 254 Cb 0.46 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.30 2i5n h ALA 254 CO 0.03 0.15 0.27 -1.21 0.00 0.00 0.00 179.25 178.48 2i5n s GLU 255 N -3.30 2.58 -0.01 0.00 0.41 -0.74 -4.96 118.70 112.68 2i5n s GLU 255 Ca 0.05 0.03 -0.39 0.00 -0.41 0.00 0.00 54.97 54.24 2i5n s GLU 255 Cb 0.07 -2.15 -0.18 0.00 -1.78 0.00 0.00 34.13 30.08 2i5n s GLU 255 CO 0.66 -1.03 1.27 -1.13 -0.49 0.00 0.00 175.26 174.54 2i5n n SER 256 N -2.85 0.96 0.13 -0.19 3.41 -1.26 -4.89 113.62 108.93 2i5n n SER 256 Ca 0.06 1.14 -0.02 0.00 -0.26 0.00 0.00 58.87 59.79 2i5n n SER 256 Cb 0.59 -1.05 0.14 0.00 -0.26 0.00 0.00 64.21 63.63 2i5n n SER 256 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2i5n h LEU 257 N 4.10 0.00 -1.10 1.04 3.38 -1.93 -3.51 115.31 117.29 2i5n h LEU 257 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2i5n h LEU 257 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2i5n h LEU 257 CO 0.75 0.65 0.00 0.18 0.09 0.00 0.00 178.44 180.11