#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s ARG 2 N 0.00 3.41 0.56 0.00 0.52 -1.26 -5.05 118.95 117.14 3g6e s ARG 2 Ca 0.00 1.75 -0.04 0.00 -0.52 0.00 0.00 55.73 56.91 3g6e s ARG 2 Cb 0.00 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.33 3g6e s ARG 2 CO 0.00 -0.83 0.85 -1.54 0.02 0.00 0.00 175.30 173.80 3g6e s SER 3 N -1.54 5.61 0.35 0.23 1.04 -1.26 -4.97 113.70 113.15 3g6e s SER 3 Ca 0.70 0.60 0.16 0.00 0.48 0.00 0.00 55.95 57.89 3g6e s SER 3 Cb -0.28 -1.63 0.60 0.00 0.10 0.00 0.00 66.02 64.81 3g6e s SER 3 CO 0.32 -1.01 1.71 0.00 0.98 0.00 0.00 173.24 175.25 3g6e h ALA 4 N -0.06 1.04 -0.64 5.32 0.00 -2.02 -3.03 119.26 119.86 3g6e h ALA 4 Ca -0.45 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 3g6e h ALA 4 Cb 1.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3g6e h ALA 4 CO 0.60 0.56 0.27 1.88 0.00 0.00 0.00 179.25 182.56 3g6e h TYR 5 N 0.00 0.92 0.00 0.00 0.99 -2.01 -2.45 116.97 114.43 3g6e h TYR 5 Ca -0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3g6e h TYR 5 Cb 0.92 -0.28 0.00 0.00 1.00 0.00 0.00 36.73 38.36 3g6e h TYR 5 CO 0.00 0.69 0.00 0.66 -0.00 0.00 0.00 178.16 179.51 3g6e h SER 6 N 0.91 0.00 0.94 3.88 4.64 -1.92 -1.54 113.55 120.45 3g6e h SER 6 Ca 0.22 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.34 3g6e h SER 6 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3g6e h SER 6 CO -0.02 0.00 -1.14 1.88 -0.87 0.00 0.00 176.83 176.68 3g6e h TYR 7 N 0.00 0.00 0.00 4.77 -1.99 -1.58 -1.78 116.97 116.39 3g6e h TYR 7 Ca 0.00 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.50 3g6e h TYR 7 Cb 0.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 3g6e h TYR 7 CO 0.00 0.78 -0.95 0.82 -0.00 0.00 0.00 178.16 178.81 3g6e h ILE 8 N 0.00 1.40 -0.22 -2.88 2.04 -1.35 -2.72 117.51 113.78 3g6e h ILE 8 Ca -0.11 -2.45 -0.05 0.00 1.00 0.00 0.00 64.86 63.25 3g6e h ILE 8 Cb 1.69 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 40.19 3g6e h ILE 8 CO 0.08 0.73 -0.06 -0.09 0.00 0.00 0.00 178.15 178.81 3g6e h ARG 9 N 0.23 0.44 0.00 2.37 2.43 -1.46 -2.52 114.38 115.86 3g6e h ARG 9 Ca -0.08 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 3g6e h ARG 9 Cb 1.59 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.11 3g6e h ARG 9 CO 0.16 0.68 -0.14 0.22 -1.51 0.00 0.00 179.97 179.39 3g6e h ASP 10 N 0.16 0.00 0.23 -3.80 1.82 -1.36 -2.59 116.42 110.88 3g6e h ASP 10 Ca 0.06 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.41 3g6e h ASP 10 Cb 0.52 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.55 3g6e h ASP 10 CO 0.02 0.14 -1.19 0.00 -1.61 0.00 0.00 179.24 176.60 3g6e h ALA 11 N 1.86 0.08 0.00 -0.78 0.00 -1.35 -3.27 119.26 115.80 3g6e h ALA 11 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3g6e h ALA 11 Cb 0.60 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3g6e h ALA 11 CO 0.02 0.75 0.00 0.91 0.00 0.00 0.00 179.25 180.93 3g6e n TRP 12 N -3.75 0.00 0.14 0.00 7.02 -0.96 -2.82 117.44 117.07 3g6e n TRP 12 Ca -0.12 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.37 3g6e n TRP 12 Cb 0.96 -0.07 0.15 0.00 -2.42 0.00 0.00 31.31 29.93 3g6e n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3g6e h LYS 13 N 0.00 0.00 -2.54 -0.99 1.57 -1.57 -3.36 116.57 109.68 3g6e h LYS 13 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3g6e h LYS 13 Cb 0.06 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.98 3g6e h LYS 13 CO 0.00 0.57 -0.88 -0.80 -0.57 0.00 0.00 179.45 177.77 3g6e s ASN 14 N -6.58 2.25 0.00 0.86 0.01 -1.13 -5.00 114.94 105.36 3g6e s ASN 14 Ca 0.01 -3.15 0.08 0.00 -0.71 0.00 0.00 52.86 49.08 3g6e s ASN 14 Cb 0.10 -0.69 0.46 0.00 0.41 0.00 0.00 41.25 41.54 3g6e s ASN 14 CO 0.74 -0.17 0.94 -0.81 -1.51 0.00 0.00 177.10 176.29 3g6e n PRO 15 N 2.77 0.54 -0.02 -0.60 -0.04 -1.25 -2.35 135.00 134.04 3g6e n PRO 15 Ca 0.26 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 3g6e n PRO 15 Cb 0.44 -1.22 0.04 0.00 -0.04 0.00 0.00 33.50 32.71 3g6e n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g6e n GLY 16 N 0.06 -0.04 3.50 0.55 0.00 -1.26 -4.10 105.19 103.90 3g6e n GLY 16 Ca 0.06 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3g6e n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 17 N -0.59 3.78 0.71 1.61 1.01 -0.99 -4.72 116.67 117.47 3g6e s ASP 17 Ca 0.08 -0.85 0.00 0.00 0.71 0.00 0.00 52.55 52.49 3g6e s ASP 17 Cb 0.05 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.55 3g6e s ASP 17 CO 0.07 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.13 3g6e n GLY 18 N -0.27 0.61 0.20 0.21 0.00 -1.26 -3.21 105.19 101.47 3g6e n GLY 18 Ca -0.09 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.22 3g6e n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g6e h GLN 19 N 0.00 0.00 -0.04 1.61 4.20 -1.98 -2.95 115.11 115.95 3g6e h GLN 19 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3g6e h GLN 19 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3g6e h GLN 19 CO 0.00 0.33 -0.40 1.25 -0.67 0.00 0.00 178.83 179.35 3g6e h LEU 20 N 0.00 0.08 -0.52 1.46 5.85 -1.92 -1.53 115.31 118.73 3g6e h LEU 20 Ca -0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3g6e h LEU 20 Cb 0.62 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3g6e h LEU 20 CO 0.04 0.47 0.30 0.00 -0.34 0.00 0.00 178.44 178.92 3g6e h ALA 21 N 1.53 0.67 -0.33 1.25 0.00 -1.48 0.33 119.26 121.22 3g6e h ALA 21 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3g6e h ALA 21 Cb 0.74 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3g6e h ALA 21 CO 0.05 0.17 -0.48 1.49 0.00 0.00 0.00 179.25 180.48 3g6e h GLU 22 N 0.70 0.91 -0.26 0.00 4.81 -1.61 -2.43 114.58 116.69 3g6e h GLU 22 Ca 0.19 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3g6e h GLU 22 Cb 0.02 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3g6e h GLU 22 CO -0.03 1.18 0.13 -0.07 -0.73 0.00 0.00 179.01 179.49 3g6e h LEU 23 N 0.71 0.33 -1.00 1.64 3.38 -0.93 -2.56 115.31 116.88 3g6e h LEU 23 Ca 0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3g6e h LEU 23 Cb 1.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3g6e h LEU 23 CO 0.11 0.34 -0.42 1.56 0.09 0.00 0.00 178.44 180.13 3g6e h GLN 24 N 0.30 0.16 -0.24 1.13 1.08 -0.95 0.00 115.11 116.59 3g6e h GLN 24 Ca 0.09 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 3g6e h GLN 24 Cb 0.09 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3g6e h GLN 24 CO -0.01 0.56 -0.18 2.35 -0.95 0.00 0.00 178.83 180.59 3g6e h TRP 25 N 0.14 0.46 0.06 2.96 7.01 -1.22 -1.74 115.95 123.62 3g6e h TRP 25 Ca 0.01 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 60.82 3g6e h TRP 25 Cb 0.80 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 3g6e h TRP 25 CO 0.01 0.59 -0.55 1.96 -2.79 0.00 0.00 178.44 177.66 3g6e h GLN 26 N 0.39 0.12 -0.85 2.65 4.20 -1.18 -3.37 115.11 117.08 3g6e h GLN 26 Ca 0.07 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3g6e h GLN 26 Cb 0.55 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3g6e h GLN 26 CO 0.04 1.10 0.44 0.00 -0.67 0.00 0.00 178.83 179.74 3g6e h ARG 27 N -0.73 1.19 0.00 1.46 3.08 -0.98 -2.91 114.38 115.49 3g6e h ARG 27 Ca -0.12 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3g6e h ARG 27 Cb 1.32 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3g6e h ARG 27 CO 0.03 0.89 -0.09 1.96 -1.07 0.00 0.00 179.97 181.69 3g6e h GLN 28 N 1.19 0.00 -0.15 0.04 4.20 -1.49 -0.35 115.11 118.55 3g6e h GLN 28 Ca 0.30 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.87 3g6e h GLN 28 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3g6e h GLN 28 CO -0.04 0.09 -0.47 1.96 -0.67 0.00 0.00 178.83 179.70 3g6e h GLN 29 N 0.00 0.39 0.06 1.46 4.20 -1.66 0.50 115.11 120.06 3g6e h GLN 29 Ca -0.00 -0.22 -0.26 0.00 0.06 0.00 0.00 58.65 58.24 3g6e h GLN 29 Cb 0.28 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3g6e h GLN 29 CO 0.01 0.78 -1.27 0.93 -0.67 0.00 0.00 178.83 178.61 3g6e h GLU 30 N 0.32 0.13 -0.22 1.46 5.08 -1.41 -3.32 114.58 116.61 3g6e h GLU 30 Ca 0.02 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 3g6e h GLU 30 Cb 0.95 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3g6e h GLU 30 CO 0.08 1.02 -0.50 -1.49 -1.00 0.00 0.00 179.01 177.12 3g6e h TRP 31 N 0.03 0.76 0.00 4.33 6.55 -0.79 -2.76 115.95 124.07 3g6e h TRP 31 Ca -0.13 -0.25 -0.00 0.00 0.95 0.00 0.00 58.89 59.46 3g6e h TRP 31 Cb 1.91 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 30.06 3g6e h TRP 31 CO 0.03 0.99 -0.01 0.00 -1.05 0.00 0.00 178.44 178.40 3g6e h ARG 32 N 0.48 0.00 -0.02 0.49 3.08 -1.00 -1.75 114.38 115.66 3g6e h ARG 32 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3g6e h ARG 32 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3g6e h ARG 32 CO 0.10 0.01 -0.21 0.09 -1.07 0.00 0.00 179.97 178.90 3g6e n ASN 33 N -3.14 2.57 -4.66 7.04 3.02 -1.11 -4.95 115.26 114.04 3g6e n ASN 33 Ca -0.01 -1.79 -0.24 0.00 -0.03 0.00 0.00 54.58 52.51 3g6e n ASN 33 Cb 0.22 0.21 0.11 0.00 -0.61 0.00 0.00 39.78 39.70 3g6e n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3g6e s GLU 34 N -2.19 1.68 0.00 3.52 2.02 -0.66 -5.10 118.70 117.96 3g6e s GLU 34 Ca 0.24 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3g6e s GLU 34 Cb 0.19 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3g6e s GLU 34 CO 0.42 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.62 3g6e n GLY 35 N -2.92 -0.87 0.12 -1.39 0.00 -1.26 -5.01 105.19 93.86 3g6e n GLY 35 Ca 0.14 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 3g6e n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e h ALA 36 N -2.00 0.14 -3.34 4.61 0.00 -1.90 -3.43 119.26 113.34 3g6e h ALA 36 Ca 0.00 -1.04 -0.54 0.00 0.00 0.00 0.00 54.91 53.33 3g6e h ALA 36 Cb 0.00 0.43 -0.38 0.00 0.00 0.00 0.00 17.79 17.84 3g6e h ALA 36 CO 0.00 0.78 -0.79 0.08 0.00 0.00 0.00 179.25 179.32 3g6e s VAL 37 N -2.48 1.00 -0.24 0.00 1.01 -1.26 -1.93 120.40 116.50 3g6e s VAL 37 Ca -0.19 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3g6e s VAL 37 Cb 0.04 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.23 3g6e s VAL 37 CO 0.78 0.07 -0.11 -1.61 0.00 0.00 0.00 175.10 174.23 3g6e s GLU 38 N 1.68 2.66 0.15 2.72 0.41 0.07 -4.95 118.70 121.43 3g6e s GLU 38 Ca 0.00 -1.08 -0.31 0.00 -0.41 0.00 0.00 54.97 53.18 3g6e s GLU 38 Cb -0.16 -2.85 -0.08 0.00 -1.78 0.00 0.00 34.13 29.26 3g6e s GLU 38 CO -0.07 -0.42 1.35 0.50 -0.49 0.00 0.00 175.26 176.13 3g6e s ARG 39 N 1.24 4.35 -0.01 1.61 3.52 -1.26 -0.77 118.95 127.63 3g6e s ARG 39 Ca -0.02 2.06 0.07 0.00 -0.13 0.00 0.00 55.73 57.71 3g6e s ARG 39 Cb -0.17 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3g6e s ARG 39 CO -0.07 -0.35 -0.21 0.96 -0.81 0.00 0.00 175.30 174.82 3g6e s ILE 40 N 0.62 1.69 0.15 4.11 -4.36 -0.90 -4.92 121.20 117.60 3g6e s ILE 40 Ca 0.61 -0.93 -0.15 0.00 -0.26 0.00 0.00 60.65 59.92 3g6e s ILE 40 Cb -0.37 -1.41 0.03 0.00 1.25 0.00 0.00 42.46 41.97 3g6e s ILE 40 CO 0.34 0.47 1.73 -0.33 0.24 0.00 0.00 174.94 177.39 3g6e h GLU 41 N 5.58 0.69 -5.72 0.37 5.08 -1.95 -3.37 114.58 115.25 3g6e h GLU 41 Ca -0.40 -0.10 -0.54 0.00 -1.00 0.00 0.00 59.36 57.32 3g6e h GLU 41 Cb 1.14 -0.12 -0.27 0.00 0.50 0.00 0.00 28.75 29.99 3g6e h GLU 41 CO 0.48 0.59 -0.83 1.03 -1.00 0.00 0.00 179.01 179.27 3g6e s ARG 42 N -5.69 1.31 0.52 2.33 1.81 -1.26 -4.91 118.95 113.07 3g6e s ARG 42 Ca -0.13 -0.74 -0.21 0.00 -1.72 0.00 0.00 55.73 52.93 3g6e s ARG 42 Cb 0.11 -1.32 -0.06 0.00 -0.45 0.00 0.00 34.95 33.23 3g6e s ARG 42 CO 0.76 0.35 1.18 -2.14 -0.68 0.00 0.00 175.30 174.77 3g6e s PRO 43 N -0.77 3.43 0.25 3.54 0.02 -1.26 -4.96 135.00 135.25 3g6e s PRO 43 Ca 0.06 1.78 0.12 0.00 0.02 0.00 0.00 61.00 62.98 3g6e s PRO 43 Cb -0.07 -2.18 0.22 0.00 0.02 0.00 0.00 34.50 32.49 3g6e s PRO 43 CO 0.00 -0.83 1.52 1.15 -0.33 0.00 0.00 177.00 178.52 3g6e h THR 44 N 1.44 1.35 -3.22 0.99 2.02 -2.01 -3.37 112.91 110.12 3g6e h THR 44 Ca -0.50 -2.39 -0.63 0.00 0.77 0.00 0.00 66.41 63.66 3g6e h THR 44 Cb 1.27 2.34 -0.41 0.00 -1.74 0.00 0.00 68.15 69.60 3g6e h THR 44 CO 0.58 0.66 -0.64 -0.13 0.37 0.00 0.00 175.52 176.35 3g6e s ARG 45 N -3.28 1.97 0.24 6.66 0.52 -1.26 -4.98 118.95 118.81 3g6e s ARG 45 Ca 0.00 -2.70 -0.07 0.00 -0.52 0.00 0.00 55.73 52.45 3g6e s ARG 45 Cb 0.11 -3.14 0.27 0.00 0.52 0.00 0.00 34.95 32.71 3g6e s ARG 45 CO 0.76 -1.17 1.88 1.25 0.02 0.00 0.00 175.30 178.04 3g6e h LEU 46 N 6.23 0.92 0.09 2.53 6.46 -1.97 -1.22 115.31 128.36 3g6e h LEU 46 Ca -0.00 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3g6e h LEU 46 Cb 0.86 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 3g6e h LEU 46 CO 0.66 0.63 -0.06 -2.24 -0.62 0.00 0.00 178.44 176.81 3g6e h ASP 47 N 1.08 -0.14 -0.48 1.25 2.03 -1.94 -0.86 116.42 117.36 3g6e h ASP 47 Ca 0.35 0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 56.58 3g6e h ASP 47 Cb 0.02 0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 38.54 3g6e h ASP 47 CO -0.12 -0.09 0.01 0.50 -1.03 0.00 0.00 179.24 178.51 3g6e h LYS 48 N -0.15 0.90 0.14 4.15 1.63 -1.90 0.78 116.57 122.12 3g6e h LYS 48 Ca -0.01 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 3g6e h LYS 48 Cb 0.12 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3g6e h LYS 48 CO 0.01 0.89 -0.07 0.00 -3.45 0.00 0.00 179.45 176.83 3g6e h ALA 49 N 1.17 -0.19 -0.45 5.00 0.00 -1.08 -0.42 119.26 123.29 3g6e h ALA 49 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3g6e h ALA 49 Cb 0.48 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3g6e h ALA 49 CO 0.02 -0.50 0.06 0.00 0.00 0.00 0.00 179.25 178.83 3g6e h ARG 50 N -0.42 0.70 -0.26 0.00 3.08 -0.98 -0.35 114.38 116.15 3g6e h ARG 50 Ca -0.02 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 3g6e h ARG 50 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3g6e h ARG 50 CO 0.03 0.67 -0.17 1.03 -1.07 0.00 0.00 179.97 180.46 3g6e h SER 51 N 0.67 0.45 1.17 7.04 0.87 -0.72 -2.55 113.55 120.49 3g6e h SER 51 Ca 0.14 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3g6e h SER 51 Cb 0.33 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3g6e h SER 51 CO 0.01 0.65 -0.22 0.00 -0.53 0.00 0.00 176.83 176.73 3g6e n GLN 52 N -4.18 0.22 0.00 2.24 6.02 -0.18 -4.93 117.38 116.58 3g6e n GLN 52 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3g6e n GLN 52 Cb 0.35 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3g6e n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g6e n GLY 53 N 1.35 0.47 3.76 1.08 0.00 -0.70 -4.81 105.19 106.35 3g6e n GLY 53 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3g6e n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g6e s TYR 54 N -1.00 2.59 0.01 1.61 5.04 -0.23 -4.96 117.35 120.41 3g6e s TYR 54 Ca 0.00 1.47 -0.01 0.00 -2.44 0.00 0.00 57.07 56.09 3g6e s TYR 54 Cb 0.00 -3.56 -0.01 0.00 0.35 0.00 0.00 41.96 38.74 3g6e s TYR 54 CO 0.00 -2.13 0.00 0.15 -1.34 0.00 0.00 175.55 172.23 3g6e s LYS 55 N -2.84 0.15 -1.32 4.97 1.02 -1.26 -4.40 119.74 116.06 3g6e s LYS 55 Ca 0.68 -0.25 -0.16 0.00 0.02 0.00 0.00 55.97 56.26 3g6e s LYS 55 Cb -0.33 0.06 0.09 0.00 -0.52 0.00 0.00 37.83 37.12 3g6e s LYS 55 CO 0.40 -0.03 1.81 0.00 -0.92 0.00 0.00 175.35 176.61 3g6e n ALA 56 N 2.41 4.22 -2.27 5.17 0.00 -1.26 -4.83 120.51 123.95 3g6e n ALA 56 Ca -0.17 -3.97 -0.15 0.00 0.00 0.00 0.00 53.44 49.15 3g6e n ALA 56 Cb 0.58 -3.44 -0.10 0.00 0.00 0.00 0.00 19.45 16.49 3g6e n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3g6e s LYS 57 N 3.18 1.37 0.10 0.00 2.20 -1.26 -5.13 119.74 120.19 3g6e s LYS 57 Ca 0.49 -1.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.06 3g6e s LYS 57 Cb 0.05 0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.34 3g6e s LYS 57 CO 0.02 -0.38 1.03 -0.65 -0.36 0.00 0.00 175.35 175.01 3g6e s GLN 58 N -4.02 4.61 0.00 4.03 -0.21 -1.26 -3.35 119.66 119.45 3g6e s GLN 58 Ca 0.38 1.55 0.00 0.00 0.02 0.00 0.00 55.36 57.31 3g6e s GLN 58 Cb 0.07 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.71 3g6e s GLN 58 CO 0.14 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.78 3g6e n GLY 59 N 2.47 0.69 3.43 3.09 0.00 -1.26 -4.52 105.19 109.10 3g6e n GLY 59 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3g6e n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 60 N -2.57 4.61 0.04 1.61 1.01 -1.21 -0.57 120.40 123.32 3g6e s VAL 60 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3g6e s VAL 60 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3g6e s VAL 60 CO 0.00 0.02 -0.20 -0.63 0.00 0.00 0.00 175.10 174.29 3g6e s ILE 61 N 1.61 2.64 0.02 2.22 1.09 0.39 -4.87 121.20 124.30 3g6e s ILE 61 Ca 0.04 -1.22 0.07 0.00 -1.10 0.00 0.00 60.65 58.44 3g6e s ILE 61 Cb -0.17 -2.09 -0.02 0.00 -1.06 0.00 0.00 42.46 39.11 3g6e s ILE 61 CO 0.06 0.35 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.35 3g6e s VAL 62 N -0.89 1.68 -0.13 2.92 1.01 -1.26 0.51 120.40 124.24 3g6e s VAL 62 Ca 0.14 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 3g6e s VAL 62 Cb -0.10 -1.44 0.05 0.00 0.00 0.00 0.00 36.38 34.89 3g6e s VAL 62 CO 0.04 0.32 0.33 0.00 0.00 0.00 0.00 175.10 175.79 3g6e s ALA 63 N -0.68 -0.81 -0.15 5.51 0.00 -0.62 -2.12 121.76 122.90 3g6e s ALA 63 Ca 0.08 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 3g6e s ALA 63 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3g6e s ALA 63 CO 0.01 -0.20 0.44 0.50 0.00 0.00 0.00 175.76 176.50 3g6e s ARG 64 N 0.91 4.29 -0.07 0.00 3.52 0.05 -0.46 118.95 127.20 3g6e s ARG 64 Ca -0.06 0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 3g6e s ARG 64 Cb -0.07 -3.46 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 3g6e s ARG 64 CO -0.07 0.11 -0.22 0.08 -0.81 0.00 0.00 175.30 174.39 3g6e s VAL 65 N 0.80 1.85 -0.21 7.11 1.01 0.08 -0.75 120.40 130.28 3g6e s VAL 65 Ca 0.23 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3g6e s VAL 65 Cb -0.15 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3g6e s VAL 65 CO 0.09 0.52 0.01 -0.94 0.00 0.00 0.00 175.10 174.77 3g6e s SER 66 N 0.06 4.86 0.05 3.32 1.04 -0.81 -1.84 113.70 120.38 3g6e s SER 66 Ca -0.08 -0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.22 3g6e s SER 66 Cb -0.14 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 3g6e s SER 66 CO 0.05 0.04 -0.25 -0.69 0.98 0.00 0.00 173.24 173.37 3g6e s VAL 67 N 1.15 2.01 0.53 5.02 1.01 -0.66 -4.90 120.40 124.56 3g6e s VAL 67 Ca 0.03 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.43 3g6e s VAL 67 Cb -0.14 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3g6e s VAL 67 CO 0.02 0.30 1.29 0.00 0.00 0.00 0.00 175.10 176.70 3g6e s ARG 68 N -1.28 3.25 0.47 2.72 3.03 -1.26 -0.45 118.95 125.43 3g6e s ARG 68 Ca 0.11 2.06 -0.12 0.00 2.03 0.00 0.00 55.73 59.81 3g6e s ARG 68 Cb -0.10 -2.24 -0.06 0.00 -1.03 0.00 0.00 34.95 31.52 3g6e s ARG 68 CO 0.02 -1.05 0.87 0.15 -1.13 0.00 0.00 175.30 174.16 3g6e s LYS 69 N -2.93 3.78 0.00 3.89 1.02 -0.28 -4.72 119.74 120.50 3g6e s LYS 69 Ca 0.71 0.62 0.00 0.00 0.02 0.00 0.00 55.97 57.32 3g6e s LYS 69 Cb -0.36 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3g6e s LYS 69 CO 0.42 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 3g6e n GLY 70 N -1.68 -1.94 0.00 -3.33 0.00 -1.26 -4.94 105.19 92.03 3g6e n GLY 70 Ca 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3g6e n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g6e n SER 71 N 0.00 -0.22 -4.77 1.61 3.41 -1.26 -4.97 113.62 107.42 3g6e n SER 71 Ca 0.00 -0.28 -0.39 0.00 -0.26 0.00 0.00 58.87 57.94 3g6e n SER 71 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3g6e n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6e s ALA 72 N -3.43 3.31 -1.18 7.33 0.00 -1.00 -4.87 121.76 121.91 3g6e s ALA 72 Ca 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 3g6e s ALA 72 Cb 0.00 -3.38 0.21 0.00 0.00 0.00 0.00 23.12 19.95 3g6e s ALA 72 CO 0.00 -0.43 1.35 0.54 0.00 0.00 0.00 175.76 177.22 3g6e n ARG 73 N 0.58 3.45 -3.63 0.00 3.00 -1.26 -4.96 116.66 113.83 3g6e n ARG 73 Ca 0.02 -4.06 -0.37 0.00 -0.01 0.00 0.00 57.85 53.43 3g6e n ARG 73 Cb 0.45 -2.87 -0.06 0.00 0.00 0.00 0.00 32.46 29.98 3g6e n ARG 73 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3g6e s LYS 74 N 0.52 3.86 0.01 5.56 -0.14 -1.26 -5.10 119.74 123.19 3g6e s LYS 74 Ca 0.39 0.15 -0.17 0.00 -1.36 0.00 0.00 55.97 54.98 3g6e s LYS 74 Cb -0.05 -3.27 -0.06 0.00 -1.68 0.00 0.00 37.83 32.78 3g6e s LYS 74 CO -0.02 0.59 0.48 1.03 -0.76 0.00 0.00 175.35 176.67 3g6e s ARG 75 N -0.63 4.09 0.49 1.68 0.52 -1.26 -4.96 118.95 118.88 3g6e s ARG 75 Ca 0.19 0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 55.74 3g6e s ARG 75 Cb -0.14 -3.26 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 3g6e s ARG 75 CO 0.08 0.59 1.11 0.50 0.02 0.00 0.00 175.30 177.60 3g6e s ARG 76 N -0.84 3.69 0.26 3.54 3.52 -1.26 -4.97 118.95 122.88 3g6e s ARG 76 Ca 0.26 1.59 -0.31 0.00 -0.13 0.00 0.00 55.73 57.14 3g6e s ARG 76 Cb -0.18 -2.22 -0.13 0.00 -1.56 0.00 0.00 34.95 30.87 3g6e s ARG 76 CO 0.15 -0.57 1.46 -2.39 -0.81 0.00 0.00 175.30 173.14 3g6e n HIS 77 N -0.81 2.37 -0.26 5.12 1.44 -1.26 -4.93 115.22 116.89 3g6e n HIS 77 Ca 0.09 0.39 0.09 0.00 -2.01 0.00 0.00 57.72 56.27 3g6e n HIS 77 Cb 0.50 -2.50 0.23 0.00 0.12 0.00 0.00 29.99 28.35 3g6e n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3g6e n LYS 78 N 2.01 2.79 -3.94 -1.40 5.02 -1.26 -4.98 118.16 116.39 3g6e n LYS 78 Ca 0.10 -2.34 -0.16 0.00 -2.02 0.00 0.00 58.31 53.89 3g6e n LYS 78 Cb 0.33 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 3g6e n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g6e n ALA 79 N 1.06 0.35 -1.91 7.82 0.00 -1.26 -5.13 120.51 121.44 3g6e n ALA 79 Ca 0.18 -1.68 -0.42 0.00 0.00 0.00 0.00 53.44 51.52 3g6e n ALA 79 Cb 0.52 1.36 -0.03 0.00 0.00 0.00 0.00 19.45 21.30 3g6e n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g6e s GLY 80 N -3.07 1.53 -0.00 0.00 0.00 -1.26 -5.02 107.32 99.50 3g6e s GLY 80 Ca 0.33 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.27 3g6e s GLY 80 CO 0.24 2.95 -0.00 0.50 0.00 0.00 0.00 173.10 176.78 3g6e s ARG 81 N 2.83 0.06 0.58 2.90 3.00 -1.26 -5.15 118.95 121.90 3g6e s ARG 81 Ca 0.75 -0.01 -0.18 0.00 0.00 0.00 0.00 55.73 56.30 3g6e s ARG 81 Cb -0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 34.95 34.43 3g6e s ARG 81 CO 0.33 -0.00 1.09 -0.98 0.00 0.00 0.00 175.30 175.74 3g6e s ARG 82 N 0.10 3.27 0.43 3.54 1.70 -1.26 -4.79 118.95 121.94 3g6e s ARG 82 Ca -0.01 1.42 0.29 0.00 -0.47 0.00 0.00 55.73 56.96 3g6e s ARG 82 Cb -0.02 -2.01 1.42 0.00 -0.57 0.00 0.00 34.95 33.77 3g6e s ARG 82 CO -0.00 -0.88 1.61 0.66 -1.08 0.00 0.00 175.30 175.61 3g6e h SER 83 N 0.77 0.25 0.43 -2.89 4.64 -2.01 0.19 113.55 114.94 3g6e h SER 83 Ca -0.48 0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 3g6e h SER 83 Cb 1.24 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3g6e h SER 83 CO 0.57 -0.23 -0.26 0.50 -0.87 0.00 0.00 176.83 176.54 3g6e h LYS 84 N 0.07 0.00 -0.40 4.77 3.11 -2.04 -2.87 116.57 119.21 3g6e h LYS 84 Ca 0.84 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.68 3g6e h LYS 84 Cb 2.57 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.80 3g6e h LYS 84 CO -0.48 0.26 0.00 0.54 -2.81 0.00 0.00 179.45 176.96 3g6e n ARG 85 N -3.87 3.22 -0.06 1.90 5.12 0.66 -4.54 116.66 119.09 3g6e n ARG 85 Ca -0.02 -2.64 0.12 0.00 -1.93 0.00 0.00 57.85 53.39 3g6e n ARG 85 Cb 0.35 -1.71 0.34 0.00 -1.16 0.00 0.00 32.46 30.27 3g6e n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3g6e n GLN 86 N 0.25 1.97 -2.21 5.56 6.02 -1.08 -4.87 117.38 123.01 3g6e n GLN 86 Ca 0.20 -1.43 -0.33 0.00 -0.01 0.00 0.00 57.00 55.42 3g6e n GLN 86 Cb 0.77 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.57 3g6e n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3g6e s GLY 87 N -1.75 2.21 0.18 1.08 0.00 -1.26 -4.86 107.32 102.92 3g6e s GLY 87 Ca 0.34 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3g6e s GLY 87 CO 0.30 0.73 0.00 -0.62 0.00 0.00 0.00 173.10 173.51 3g6e n VAL 88 N -1.72 0.33 0.04 1.40 0.31 -1.26 -4.89 118.33 112.54 3g6e n VAL 88 Ca 0.09 0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.41 3g6e n VAL 88 Cb 0.53 -0.87 -0.07 0.00 -0.91 0.00 0.00 33.84 32.53 3g6e n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3g6e h THR 89 N 0.00 0.95 -0.01 2.52 2.02 -1.93 -3.28 112.91 113.19 3g6e h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3g6e h THR 89 Cb 0.07 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3g6e h THR 89 CO 0.00 0.00 -0.02 0.54 0.37 0.00 0.00 175.52 176.41 3g6e n ARG 90 N -5.12 1.21 -2.60 6.66 1.74 -1.26 -4.84 116.66 112.46 3g6e n ARG 90 Ca -0.07 -0.43 -0.42 0.00 -0.77 0.00 0.00 57.85 56.17 3g6e n ARG 90 Cb 0.05 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 3g6e n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g6e s ILE 91 N -2.08 4.36 0.17 0.55 1.01 -1.24 -5.01 121.20 118.96 3g6e s ILE 91 Ca 0.41 1.81 0.10 0.00 0.00 0.00 0.00 60.65 62.97 3g6e s ILE 91 Cb 0.21 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3g6e s ILE 91 CO 0.37 0.20 -0.22 0.42 0.00 0.00 0.00 174.94 175.72 3g6e s THR 92 N 0.56 2.09 0.53 2.92 -4.23 -1.26 -2.37 115.64 113.87 3g6e s THR 92 Ca 0.52 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 3g6e s THR 92 Cb -0.25 -1.95 -0.07 0.00 1.34 0.00 0.00 72.50 71.56 3g6e s THR 92 CO 0.30 -0.17 1.00 -0.13 -0.54 0.00 0.00 174.62 175.08 3g6e s ARG 93 N -2.59 3.84 0.42 3.99 1.81 -1.26 -4.84 118.95 120.32 3g6e s ARG 93 Ca 0.17 1.00 0.25 0.00 -1.72 0.00 0.00 55.73 55.42 3g6e s ARG 93 Cb -0.07 -2.12 0.51 0.00 -0.45 0.00 0.00 34.95 32.82 3g6e s ARG 93 CO 0.08 -0.36 1.67 0.00 -0.68 0.00 0.00 175.30 176.01 3g6e h ARG 94 N 0.83 0.00 -5.72 3.54 3.08 -2.01 -3.44 114.38 110.67 3g6e h ARG 94 Ca -0.47 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.97 3g6e h ARG 94 Cb 1.19 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.16 3g6e h ARG 94 CO 0.61 0.00 -0.31 0.15 -1.07 0.00 0.00 179.97 179.35 3g6e s LYS 95 N -3.25 3.97 0.65 0.04 1.02 -1.26 -5.00 119.74 115.91 3g6e s LYS 95 Ca 0.07 0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.11 3g6e s LYS 95 Cb 0.06 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3g6e s LYS 95 CO 0.64 0.51 1.05 0.16 -0.92 0.00 0.00 175.35 176.79 3g6e s ASP 96 N -0.39 5.70 0.55 2.83 -4.77 -1.26 -4.91 116.67 114.42 3g6e s ASP 96 Ca 0.19 1.60 0.26 0.00 -3.30 0.00 0.00 52.55 51.30 3g6e s ASP 96 Cb -0.14 -2.50 1.44 0.00 -1.09 0.00 0.00 42.92 40.63 3g6e s ASP 96 CO 0.07 -1.23 1.99 0.40 0.70 0.00 0.00 175.17 177.10 3g6e h ILE 97 N -0.37 0.65 -0.33 2.11 2.04 -1.97 -0.84 117.51 118.80 3g6e h ILE 97 Ca -0.44 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 3g6e h ILE 97 Cb 1.21 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3g6e h ILE 97 CO 0.58 0.00 -0.30 -0.61 0.00 0.00 0.00 178.15 177.83 3g6e h GLN 98 N 0.00 0.68 0.00 2.37 4.15 -1.99 -1.75 115.11 118.57 3g6e h GLN 98 Ca 0.24 -0.30 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 3g6e h GLN 98 Cb 1.02 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 3g6e h GLN 98 CO -0.00 0.90 -0.60 -0.09 -1.93 0.00 0.00 178.83 177.10 3g6e h ARG 99 N 0.59 0.00 -0.17 1.69 2.43 -1.53 -2.04 114.38 115.34 3g6e h ARG 99 Ca 0.07 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 3g6e h ARG 99 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3g6e h ARG 99 CO 0.07 0.60 -0.66 0.28 -1.51 0.00 0.00 179.97 178.75 3g6e h VAL 100 N 0.00 1.31 -0.58 0.20 2.07 -1.19 -2.60 116.25 115.46 3g6e h VAL 100 Ca -0.01 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.53 3g6e h VAL 100 Cb 1.21 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 3g6e h VAL 100 CO 0.08 0.60 0.11 0.00 0.02 0.00 0.00 177.57 178.38 3g6e h ALA 101 N 0.77 0.76 -0.48 1.67 0.00 -1.14 -1.76 119.26 119.09 3g6e h ALA 101 Ca -0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3g6e h ALA 101 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3g6e h ALA 101 CO 0.13 0.50 -0.07 0.93 0.00 0.00 0.00 179.25 180.73 3g6e h GLU 102 N 0.84 0.85 -0.28 0.00 5.08 -1.34 -2.38 114.58 117.36 3g6e h GLU 102 Ca 0.18 -0.27 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3g6e h GLU 102 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3g6e h GLU 102 CO 0.01 0.90 -0.49 0.93 -1.00 0.00 0.00 179.01 179.35 3g6e h GLU 103 N 0.77 0.83 -0.34 2.33 5.08 -1.26 -2.03 114.58 119.96 3g6e h GLU 103 Ca 0.13 -0.52 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 3g6e h GLU 103 Cb 0.57 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3g6e h GLU 103 CO 0.03 1.15 -0.03 0.00 -1.00 0.00 0.00 179.01 179.17 3g6e h ARG 104 N 0.60 0.53 -0.14 2.33 3.08 -1.22 -2.12 114.38 117.43 3g6e h ARG 104 Ca 0.02 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3g6e h ARG 104 Cb 1.10 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3g6e h ARG 104 CO 0.11 0.58 -0.33 0.00 -1.07 0.00 0.00 179.97 179.26 3g6e h ALA 105 N 1.47 0.22 0.00 0.04 0.00 -1.39 -2.80 119.26 116.80 3g6e h ALA 105 Ca 0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3g6e h ALA 105 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3g6e h ALA 105 CO 0.01 0.27 -0.14 1.03 0.00 0.00 0.00 179.25 180.43 3g6e h SER 106 N 0.06 0.00 1.00 0.00 0.87 -1.05 -1.99 113.55 112.44 3g6e h SER 106 Ca -0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 3g6e h SER 106 Cb 0.93 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 3g6e h SER 106 CO 0.07 0.14 -0.97 0.03 -0.53 0.00 0.00 176.83 175.56 3g6e h ARG 107 N 0.00 0.00 0.00 2.24 3.08 -1.35 -3.15 114.38 115.20 3g6e h ARG 107 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3g6e h ARG 107 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3g6e h ARG 107 CO 0.02 0.97 -0.40 1.15 -1.07 0.00 0.00 179.97 180.64 3g6e h THR 108 N 0.00 0.96 -2.46 2.04 2.02 -1.10 -3.32 112.91 111.05 3g6e h THR 108 Ca -0.01 -1.56 -0.60 0.00 0.77 0.00 0.00 66.41 65.01 3g6e h THR 108 Cb 1.73 1.93 -0.41 0.00 -1.74 0.00 0.00 68.15 69.66 3g6e h THR 108 CO 0.13 0.39 -0.67 0.49 0.37 0.00 0.00 175.52 176.23 3g6e n PHE 109 N -3.60 2.78 -0.16 3.16 3.01 -0.95 -4.98 117.46 116.72 3g6e n PHE 109 Ca -0.00 -4.09 0.26 0.00 1.01 0.00 0.00 57.45 54.63 3g6e n PHE 109 Cb 0.51 -0.50 0.68 0.00 -0.01 0.00 0.00 39.48 40.16 3g6e n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3g6e h PRO 110 N 4.64 0.06 0.00 -1.08 0.13 -1.66 -2.27 132.00 131.82 3g6e h PRO 110 Ca 0.17 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.18 3g6e h PRO 110 Cb 0.73 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 3g6e h PRO 110 CO 0.73 0.04 -0.65 -2.95 -0.23 0.00 0.00 178.00 174.94 3g6e h ASN 111 N 0.07 0.00 -3.86 1.44 -1.07 -1.94 -3.47 115.58 106.75 3g6e h ASN 111 Ca 0.40 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 56.29 3g6e h ASN 111 Cb 1.50 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 37.81 3g6e h ASN 111 CO -0.03 0.55 0.23 -0.76 0.07 0.00 0.00 177.43 177.49 3g6e s LEU 112 N -6.40 3.15 -0.03 6.14 1.43 -0.86 -4.51 118.68 117.60 3g6e s LEU 112 Ca 0.03 0.81 0.05 0.00 -1.03 0.00 0.00 54.13 53.99 3g6e s LEU 112 Cb 0.08 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 3g6e s LEU 112 CO 0.76 -1.14 -0.18 -0.13 0.23 0.00 0.00 176.35 175.90 3g6e s ARG 113 N -5.08 1.70 -0.01 1.70 0.52 -0.10 -4.91 118.95 112.77 3g6e s ARG 113 Ca 0.55 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 3g6e s ARG 113 Cb -0.11 -1.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.79 3g6e s ARG 113 CO 0.47 0.29 1.39 0.08 0.02 0.00 0.00 175.30 177.55 3g6e s VAL 114 N -0.11 3.75 -0.23 3.52 1.01 -1.26 -0.44 120.40 126.64 3g6e s VAL 114 Ca -0.00 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.93 3g6e s VAL 114 Cb -0.10 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.41 3g6e s VAL 114 CO 0.01 -0.00 -0.07 -0.11 0.00 0.00 0.00 175.10 174.93 3g6e n LEU 115 N 5.38 1.90 0.00 3.92 -0.00 0.22 -4.83 117.00 123.59 3g6e n LEU 115 Ca 0.13 0.40 -0.02 0.00 -0.00 0.00 0.00 56.01 56.53 3g6e n LEU 115 Cb 0.44 -0.89 0.02 0.00 -0.00 0.00 0.00 43.42 42.98 3g6e n LEU 115 CO 0.58 0.30 0.74 -3.20 -0.00 0.00 0.00 177.39 175.81 3g6e n ASN 116 N -4.38 -1.41 -3.68 1.96 2.85 -1.15 -4.72 115.26 104.74 3g6e n ASN 116 Ca -0.38 -1.68 -0.09 0.00 -0.11 0.00 0.00 54.58 52.32 3g6e n ASN 116 Cb 0.72 2.28 -0.02 0.00 1.24 0.00 0.00 39.78 44.00 3g6e n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3g6e s SER 117 N -3.15 -0.38 0.11 1.20 1.04 -1.26 -0.74 113.70 110.52 3g6e s SER 117 Ca 0.21 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 3g6e s SER 117 Cb -0.02 0.67 0.05 0.00 0.10 0.00 0.00 66.02 66.81 3g6e s SER 117 CO 0.04 -1.18 0.46 -0.72 0.98 0.00 0.00 173.24 172.82 3g6e s TYR 118 N -3.85 -0.31 0.27 5.02 -0.85 -0.87 -4.99 117.35 111.76 3g6e s TYR 118 Ca 0.07 0.09 -0.28 0.00 -0.52 0.00 0.00 57.07 56.43 3g6e s TYR 118 Cb -0.04 0.33 -0.09 0.00 0.38 0.00 0.00 41.96 42.54 3g6e s TYR 118 CO -0.02 -0.71 0.94 0.45 -1.52 0.00 0.00 175.55 174.68 3g6e s SER 119 N -2.61 7.53 -0.12 -0.18 0.15 -1.26 -1.02 113.70 116.19 3g6e s SER 119 Ca 0.01 1.90 0.15 0.00 0.70 0.00 0.00 55.95 58.71 3g6e s SER 119 Cb 0.01 -2.60 0.36 0.00 -1.71 0.00 0.00 66.02 62.08 3g6e s SER 119 CO -0.10 0.08 1.17 1.33 1.20 0.00 0.00 173.24 176.93 3g6e n VAL 120 N 1.17 1.37 0.00 4.45 0.24 -0.16 -4.87 118.33 120.53 3g6e n VAL 120 Ca -0.01 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.10 3g6e n VAL 120 Cb 0.48 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 3g6e n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g6e n GLY 121 N -0.65 -3.36 3.57 7.63 0.00 -1.24 -4.84 105.19 106.30 3g6e n GLY 121 Ca 0.13 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 3g6e n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g6e s GLN 122 N -0.75 1.44 0.00 1.61 -2.07 -1.26 -0.62 119.66 118.01 3g6e s GLN 122 Ca 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 3g6e s GLN 122 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 3g6e s GLN 122 CO 0.00 -0.64 0.00 -0.40 -1.32 0.00 0.00 175.29 172.93 3g6e n ASP 123 N -0.39 0.00 0.06 12.60 5.68 -0.95 -5.03 116.55 128.53 3g6e n ASP 123 Ca -0.12 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.11 3g6e n ASP 123 Cb 0.63 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.50 3g6e n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3g6e h GLY 124 N 0.00 0.00 0.00 6.12 0.00 -2.05 -3.39 103.07 103.75 3g6e h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g6e h GLY 124 CO 0.00 0.00 -0.92 -0.96 0.00 0.00 0.00 176.54 174.66 3g6e n ARG 125 N -3.36 2.13 -3.98 4.80 1.85 -1.26 -4.91 116.66 111.93 3g6e n ARG 125 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 57.85 56.71 3g6e n ARG 125 Cb 0.92 -1.13 -0.07 0.00 -1.05 0.00 0.00 32.46 31.13 3g6e n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 3g6e s GLN 126 N -2.36 1.24 0.06 2.89 -2.07 -1.26 -1.13 119.66 117.02 3g6e s GLN 126 Ca 0.01 -1.22 0.08 0.00 -1.82 0.00 0.00 55.36 52.41 3g6e s GLN 126 Cb 0.08 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.36 3g6e s GLN 126 CO 0.48 -0.47 -0.22 0.15 -1.32 0.00 0.00 175.29 173.92 3g6e s LYS 127 N -3.99 1.40 -0.07 9.60 1.02 0.40 -2.24 119.74 125.86 3g6e s LYS 127 Ca 0.20 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.22 3g6e s LYS 127 Cb 0.03 -1.56 -0.01 0.00 -0.52 0.00 0.00 37.83 35.76 3g6e s LYS 127 CO 0.03 0.39 -0.22 -1.58 -0.92 0.00 0.00 175.35 173.05 3g6e s TRP 128 N -0.87 2.53 -0.01 3.18 0.51 0.21 -1.66 118.94 122.84 3g6e s TRP 128 Ca 0.08 -0.70 0.02 0.00 -2.12 0.00 0.00 56.10 53.38 3g6e s TRP 128 Cb -0.09 -1.65 -0.00 0.00 -0.81 0.00 0.00 33.47 30.91 3g6e s TRP 128 CO 0.02 -0.20 -0.07 -1.01 -0.51 0.00 0.00 176.95 175.18 3g6e s HIS 129 N -0.08 0.64 -0.23 -1.98 3.76 -0.76 -0.99 115.29 115.64 3g6e s HIS 129 Ca -0.05 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 54.66 3g6e s HIS 129 Cb -0.14 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.09 3g6e s HIS 129 CO 0.04 -0.02 0.08 -1.21 -0.85 0.00 0.00 174.74 172.79 3g6e s GLU 130 N -0.11 3.81 -0.20 1.40 2.02 -0.19 -0.75 118.70 124.68 3g6e s GLU 130 Ca 0.02 -0.41 -0.08 0.00 0.02 0.00 0.00 54.97 54.52 3g6e s GLU 130 Cb -0.03 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 3g6e s GLU 130 CO -0.00 -0.01 0.09 0.08 0.02 0.00 0.00 175.26 175.43 3g6e s VAL 131 N 1.16 4.92 -0.35 2.63 1.01 0.39 -2.06 120.40 128.10 3g6e s VAL 131 Ca 0.05 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 3g6e s VAL 131 Cb -0.14 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 3g6e s VAL 131 CO 0.04 0.43 0.55 -0.63 0.00 0.00 0.00 175.10 175.49 3g6e s ILE 132 N 0.61 4.98 0.12 2.22 1.01 0.08 -1.58 121.20 128.64 3g6e s ILE 132 Ca 0.05 0.43 0.07 0.00 0.00 0.00 0.00 60.65 61.20 3g6e s ILE 132 Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3g6e s ILE 132 CO 0.01 -0.24 -0.09 -0.76 0.00 0.00 0.00 174.94 173.86 3g6e s LEU 133 N 2.49 3.05 -0.01 2.97 1.02 0.18 -0.61 118.68 127.77 3g6e s LEU 133 Ca 0.21 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.98 3g6e s LEU 133 Cb -0.15 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 3g6e s LEU 133 CO 0.14 0.16 -0.17 -0.63 0.02 0.00 0.00 176.35 175.87 3g6e s ILE 134 N -1.35 1.32 -0.55 -0.59 -1.09 0.41 -0.46 121.20 118.89 3g6e s ILE 134 Ca 0.23 -0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 3g6e s ILE 134 Cb -0.10 -1.10 0.05 0.00 -1.58 0.00 0.00 42.46 39.73 3g6e s ILE 134 CO 0.14 0.37 0.86 -0.62 -1.23 0.00 0.00 174.94 174.47 3g6e s ASP 135 N -0.38 6.30 0.30 3.58 -1.08 0.27 -0.93 116.67 124.73 3g6e s ASP 135 Ca 0.06 -0.55 0.25 0.00 -0.52 0.00 0.00 52.55 51.79 3g6e s ASP 135 Cb -0.07 -2.40 1.07 0.00 -1.46 0.00 0.00 42.92 40.06 3g6e s ASP 135 CO -0.01 -1.16 1.75 1.55 0.52 0.00 0.00 175.17 177.82 3g6e h PRO 136 N 9.25 0.00 -0.00 4.34 0.13 -1.88 -3.05 132.00 140.79 3g6e h PRO 136 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3g6e h PRO 136 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3g6e h PRO 136 CO 1.06 0.00 -0.77 0.09 -0.23 0.00 0.00 178.00 178.15 3g6e n ASN 137 N -2.35 0.91 -4.71 1.44 3.02 -1.26 -4.72 115.26 107.58 3g6e n ASN 137 Ca 0.01 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 3g6e n ASN 137 Cb 0.22 0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 40.04 3g6e n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3g6e s HIS 138 N -2.94 3.62 0.12 3.10 2.46 -1.15 -4.94 115.29 115.55 3g6e s HIS 138 Ca 0.10 1.58 0.32 0.00 0.47 0.00 0.00 55.06 57.53 3g6e s HIS 138 Cb 0.17 -3.06 1.65 0.00 -0.13 0.00 0.00 32.58 31.21 3g6e s HIS 138 CO 0.78 -0.02 1.97 -1.00 -2.47 0.00 0.00 174.74 174.00 3g6e h PRO 139 N 6.85 0.00 0.00 2.88 0.13 -1.91 -1.31 132.00 138.64 3g6e h PRO 139 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3g6e h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3g6e h PRO 139 CO 0.77 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 3g6e h ALA 140 N 2.03 1.00 0.00 -0.56 0.00 -1.92 -2.75 119.26 117.06 3g6e h ALA 140 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3g6e h ALA 140 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3g6e h ALA 140 CO 0.00 0.00 -1.92 -0.89 0.00 0.00 0.00 179.25 176.44 3g6e n ILE 141 N -2.80 0.92 0.36 0.00 5.41 -0.56 -4.11 119.36 118.58 3g6e n ILE 141 Ca 0.01 -0.54 0.13 0.00 1.00 0.00 0.00 62.75 63.35 3g6e n ILE 141 Cb 0.29 -0.70 0.55 0.00 -0.71 0.00 0.00 39.64 39.07 3g6e n ILE 141 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3g6e h GLN 142 N 0.00 0.00 -0.04 0.38 4.20 -1.28 -2.44 115.11 115.93 3g6e h GLN 142 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3g6e h GLN 142 Cb 1.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.57 3g6e h GLN 142 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 3g6e n ASN 143 N -2.41 2.05 -4.62 1.46 3.02 -1.05 -4.88 115.26 108.84 3g6e n ASN 143 Ca 0.01 -1.53 -0.42 0.00 -0.03 0.00 0.00 54.58 52.62 3g6e n ASN 143 Cb 0.22 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 3g6e n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g6e s ASP 144 N -0.98 6.72 0.28 6.41 -1.08 -0.92 -4.93 116.67 122.17 3g6e s ASP 144 Ca 0.15 0.76 0.23 0.00 -0.52 0.00 0.00 52.55 53.16 3g6e s ASP 144 Cb 0.10 -2.43 1.03 0.00 -1.46 0.00 0.00 42.92 40.16 3g6e s ASP 144 CO 0.15 -0.65 1.68 0.47 0.52 0.00 0.00 175.17 177.35 3g6e n ASP 145 N 6.29 0.62 -0.05 -0.34 8.00 -1.26 -1.05 116.55 128.76 3g6e n ASP 145 Ca 0.05 0.70 0.02 0.00 0.71 0.00 0.00 54.79 56.27 3g6e n ASP 145 Cb 0.48 -0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 3g6e n ASP 145 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3g6e n ASP 146 N -2.23 0.16 -0.00 -2.24 8.00 -1.26 -4.69 116.55 114.28 3g6e n ASP 146 Ca 0.01 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 3g6e n ASP 146 Cb 0.16 1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 42.81 3g6e n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g6e n LEU 147 N -2.44 0.06 0.00 0.64 4.77 -1.12 -4.79 117.00 114.12 3g6e n LEU 147 Ca -0.15 -0.49 0.02 0.00 -0.03 0.00 0.00 56.01 55.36 3g6e n LEU 147 Cb 0.79 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 42.00 3g6e n LEU 147 CO 0.43 0.02 0.51 -1.54 -1.33 0.00 0.00 177.39 175.48 3g6e n SER 148 N -1.04 0.00 0.16 -1.43 3.41 -0.22 -2.53 113.62 111.97 3g6e n SER 148 Ca 0.00 0.27 0.01 0.00 -0.26 0.00 0.00 58.87 58.89 3g6e n SER 148 Cb 0.02 -0.33 0.26 0.00 -0.26 0.00 0.00 64.21 63.90 3g6e n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3g6e h TRP 149 N 0.00 0.00 0.00 7.33 5.08 -1.87 -2.88 115.95 123.61 3g6e h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3g6e h TRP 149 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 3g6e h TRP 149 CO 0.00 0.50 0.00 1.51 -1.28 0.00 0.00 178.44 179.17 3g6e n ILE 150 N -3.94 0.85 0.70 0.12 3.06 -1.05 -2.70 119.36 116.40 3g6e n ILE 150 Ca -0.01 0.21 0.13 0.00 -2.50 0.00 0.00 62.75 60.58 3g6e n ILE 150 Cb 0.52 -0.94 0.36 0.00 0.54 0.00 0.00 39.64 40.12 3g6e n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3g6e s ALA 152 N -3.10 2.96 0.41 0.00 0.00 -1.10 -4.94 121.76 115.99 3g6e s ALA 152 Ca 0.10 1.06 0.12 0.00 0.00 0.00 0.00 51.96 53.24 3g6e s ALA 152 Cb 0.14 -3.44 0.94 0.00 0.00 0.00 0.00 23.12 20.77 3g6e s ALA 152 CO 0.63 -0.85 1.94 -0.44 0.00 0.00 0.00 175.76 177.05 3g6e h ASP 153 N 1.95 0.48 0.28 0.00 5.19 -1.91 -1.21 116.42 121.20 3g6e h ASP 153 Ca -0.50 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 3g6e h ASP 153 Cb 1.26 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3g6e h ASP 153 CO 0.60 0.28 0.00 -0.90 -3.12 0.00 0.00 179.24 176.09 3g6e n ASP 154 N -4.49 0.00 -1.25 6.45 5.68 -1.26 -2.28 116.55 119.41 3g6e n ASP 154 Ca 0.12 -0.34 0.12 0.00 -0.50 0.00 0.00 54.79 54.19 3g6e n ASP 154 Cb 0.39 -0.17 0.27 0.00 -1.14 0.00 0.00 41.12 40.47 3g6e n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g6e n GLN 155 N -1.17 2.59 -2.26 0.11 1.13 -0.46 -4.89 117.38 112.43 3g6e n GLN 155 Ca 0.14 -2.44 -0.42 0.00 -1.94 0.00 0.00 57.00 52.34 3g6e n GLN 155 Cb 0.15 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 3g6e n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g6e s ALA 156 N -1.26 3.57 -1.58 -1.58 0.00 -0.96 -2.92 121.76 117.02 3g6e s ALA 156 Ca 0.44 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 3g6e s ALA 156 Cb 0.24 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3g6e s ALA 156 CO 0.32 -0.91 0.53 -0.25 0.00 0.00 0.00 175.76 175.46 3g6e n ASP 157 N 5.42 -6.11 -0.28 0.00 8.00 -1.26 -4.90 116.55 117.41 3g6e n ASP 157 Ca 0.13 -0.25 0.30 0.00 0.71 0.00 0.00 54.79 55.68 3g6e n ASP 157 Cb 0.44 -4.95 0.69 0.00 -0.02 0.00 0.00 41.12 37.28 3g6e n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3g6e h ARG 158 N -1.21 0.09 -0.19 -1.24 0.11 -1.87 -1.58 114.38 108.48 3g6e h ARG 158 Ca -0.53 -0.01 -0.17 0.00 0.10 0.00 0.00 59.98 59.38 3g6e h ARG 158 Cb 1.37 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.42 3g6e h ARG 158 CO 0.57 0.06 -0.59 -0.24 0.10 0.00 0.00 179.97 179.87 3g6e h VAL 159 N 0.09 1.32 0.00 0.08 3.04 -1.89 -0.42 116.25 118.47 3g6e h VAL 159 Ca 0.53 -1.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.39 3g6e h VAL 159 Cb 1.93 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 3g6e h VAL 159 CO -0.07 0.58 0.00 0.49 -1.01 0.00 0.00 177.57 177.55 3g6e n PHE 160 N -3.95 0.78 -0.28 3.17 3.01 -0.60 -2.16 117.46 117.44 3g6e n PHE 160 Ca -0.04 0.28 0.07 0.00 1.01 0.00 0.00 57.45 58.77 3g6e n PHE 160 Cb 0.63 -0.95 0.19 0.00 -0.01 0.00 0.00 39.48 39.34 3g6e n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3g6e n ARG 161 N -2.19 2.89 -1.84 -1.08 1.74 -1.15 -4.99 116.66 110.04 3g6e n ARG 161 Ca 0.03 -2.23 -0.11 0.00 -0.77 0.00 0.00 57.85 54.77 3g6e n ARG 161 Cb 0.29 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3g6e n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 162 N 0.64 0.45 0.30 -0.13 0.00 -0.92 -4.94 105.19 100.60 3g6e n GLY 162 Ca 0.15 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3g6e n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g6e n LEU 163 N -1.43 0.93 -4.89 0.99 4.77 -0.18 -3.21 117.00 113.97 3g6e n LEU 163 Ca -0.12 -0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 55.20 3g6e n LEU 163 Cb 0.50 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3g6e n LEU 163 CO 0.16 0.18 0.74 -0.89 -1.33 0.00 0.00 177.39 176.25 3g6e s THR 164 N -1.92 3.27 0.26 -5.08 2.01 -1.26 -4.84 115.64 108.07 3g6e s THR 164 Ca 0.35 0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 3g6e s THR 164 Cb 0.18 -3.40 0.14 0.00 0.01 0.00 0.00 72.50 69.43 3g6e s THR 164 CO 0.28 -0.53 1.79 1.23 -0.69 0.00 0.00 174.62 176.71 3g6e h GLY 165 N -0.69 0.98 2.00 4.40 0.00 -1.90 0.15 103.07 108.02 3g6e h GLY 165 Ca -0.45 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.19 3g6e h GLY 165 CO 0.64 0.54 -0.51 0.00 0.00 0.00 0.00 176.54 177.21 3g6e h ALA 166 N 1.28 1.01 0.02 3.60 0.00 -1.94 -1.69 119.26 121.53 3g6e h ALA 166 Ca 0.19 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3g6e h ALA 166 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3g6e h ALA 166 CO 0.00 0.64 -0.01 0.78 0.00 0.00 0.00 179.25 180.66 3g6e h GLY 167 N 1.90 -0.03 1.90 0.00 0.00 -1.51 -2.21 103.07 103.12 3g6e h GLY 167 Ca -0.01 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3g6e h GLY 167 CO 0.07 -0.01 -0.33 3.21 0.00 0.00 0.00 176.54 179.48 3g6e h ARG 168 N -0.39 0.11 -0.08 4.80 3.08 -0.62 -1.58 114.38 119.71 3g6e h ARG 168 Ca -0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3g6e h ARG 168 Cb 0.37 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3g6e h ARG 168 CO 0.00 0.43 -0.59 0.00 -1.07 0.00 0.00 179.97 178.75 3g6e h ARG 169 N 0.10 0.53 0.00 0.04 3.08 -1.32 -2.13 114.38 114.69 3g6e h ARG 169 Ca 0.01 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3g6e h ARG 169 Cb 0.63 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3g6e h ARG 169 CO 0.05 1.10 -0.09 -0.97 -1.07 0.00 0.00 179.97 178.99 3g6e h ASN 170 N 0.12 0.00 0.06 7.04 -1.24 -1.17 -1.65 115.58 118.75 3g6e h ASN 170 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.96 3g6e h ASN 170 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 3g6e h ASN 170 CO 0.12 0.09 -0.02 0.54 -1.29 0.00 0.00 177.43 176.86 3g6e n ARG 171 N -3.28 1.21 -1.91 6.67 1.74 -0.61 -4.92 116.66 115.56 3g6e n ARG 171 Ca -0.00 -0.44 -0.06 0.00 -0.77 0.00 0.00 57.85 56.57 3g6e n ARG 171 Cb 0.30 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 3g6e n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 172 N 1.13 0.28 0.60 -0.13 0.00 -0.62 -4.82 105.19 101.63 3g6e n GLY 172 Ca 0.20 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.67 3g6e n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g6e n LEU 173 N -0.82 1.83 0.12 0.99 4.77 -0.81 -4.49 117.00 118.59 3g6e n LEU 173 Ca -0.07 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 3g6e n LEU 173 Cb 0.48 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3g6e n LEU 173 CO 0.08 0.35 0.81 0.28 -1.33 0.00 0.00 177.39 177.58 3g6e h SER 174 N 2.63 -0.21 -3.58 -1.43 0.02 -1.84 -3.43 113.55 105.72 3g6e h SER 174 Ca 0.00 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.45 3g6e h SER 174 Cb 0.57 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.17 3g6e h SER 174 CO 0.00 -0.14 0.48 -0.83 -1.14 0.00 0.00 176.83 175.20 3g6e s GLY 175 N -2.18 2.85 0.04 -3.77 0.00 -1.26 -4.95 107.32 98.05 3g6e s GLY 175 Ca -0.14 0.83 0.23 0.00 0.00 0.00 0.00 44.72 45.64 3g6e s GLY 175 CO 0.65 1.66 1.09 0.28 0.00 0.00 0.00 173.10 176.78 3g6e n LYS 176 N 2.29 0.21 0.00 2.90 5.02 -1.26 -4.74 118.16 122.58 3g6e n LYS 176 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3g6e n LYS 176 Cb 0.46 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3g6e n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g6e n GLY 177 N 1.40 1.78 3.70 0.72 0.00 -1.26 -4.99 105.19 106.54 3g6e n GLY 177 Ca 0.03 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3g6e n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g6e n LYS 178 N 0.00 2.53 0.00 1.61 4.81 -1.26 -2.59 118.16 123.26 3g6e n LYS 178 Ca 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 3g6e n LYS 178 Cb 0.00 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.34 3g6e n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g6e n GLY 179 N 3.48 2.92 1.86 3.14 0.00 -1.26 -4.94 105.19 110.40 3g6e n GLY 179 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3g6e n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g6e n SER 180 N 0.00 4.62 -0.04 1.61 3.41 -1.07 -4.65 113.62 117.51 3g6e n SER 180 Ca 0.00 -3.75 -0.15 0.00 -0.26 0.00 0.00 58.87 54.71 3g6e n SER 180 Cb 0.00 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 3g6e n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3g6e h GLU 181 N 1.49 0.78 -0.02 4.33 3.07 -1.91 -3.11 114.58 119.21 3g6e h GLU 181 Ca 0.44 -0.56 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3g6e h GLU 181 Cb 1.65 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 3g6e h GLU 181 CO 0.94 1.18 -0.02 1.63 -1.40 0.00 0.00 179.01 181.34 3g6e n LYS 182 N -3.96 1.85 -0.10 2.33 4.76 -1.26 -4.44 118.16 117.34 3g6e n LYS 182 Ca -0.05 -1.27 -0.14 0.00 -2.87 0.00 0.00 58.31 53.98 3g6e n LYS 182 Cb 0.68 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 32.30 3g6e n LYS 182 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3g6e n THR 183 N 0.54 1.19 -3.66 -0.18 -2.24 -1.22 -3.93 114.28 104.79 3g6e n THR 183 Ca 0.17 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 3g6e n THR 183 Cb 0.44 -1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 3g6e n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g6e s ARG 184 N -2.42 3.75 0.22 -0.78 3.52 -1.18 -2.34 118.95 119.73 3g6e s ARG 184 Ca -0.25 0.17 0.26 0.00 -0.13 0.00 0.00 55.73 55.77 3g6e s ARG 184 Cb 0.07 -3.22 0.85 0.00 -1.56 0.00 0.00 34.95 31.08 3g6e s ARG 184 CO 0.52 0.69 1.77 -0.35 -0.81 0.00 0.00 175.30 177.12 3g6e n PRO 185 N 2.01 0.25 -3.47 5.12 -0.04 -1.26 -4.92 135.00 132.70 3g6e n PRO 185 Ca -0.16 0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 3g6e n PRO 185 Cb 0.53 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 3g6e n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3g6e s SER 186 N -4.48 -0.49 0.22 3.54 1.04 -0.99 -5.05 113.70 107.50 3g6e s SER 186 Ca 0.09 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 3g6e s SER 186 Cb 0.12 0.50 0.22 0.00 0.10 0.00 0.00 66.02 66.95 3g6e s SER 186 CO 0.56 -0.77 1.60 -0.07 0.98 0.00 0.00 173.24 175.53 3g6e h LEU 187 N 2.14 0.61 -0.44 2.42 3.38 -1.80 -3.20 115.31 118.42 3g6e h LEU 187 Ca -0.28 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 3g6e h LEU 187 Cb 1.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3g6e h LEU 187 CO 0.35 0.93 -0.23 -0.09 0.09 0.00 0.00 178.44 179.50 3g6e h ARG 188 N 0.48 0.94 0.00 1.13 2.43 -1.92 -1.08 114.38 116.36 3g6e h ARG 188 Ca 0.04 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 3g6e h ARG 188 Cb 0.89 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3g6e h ARG 188 CO 0.08 1.08 -0.12 0.66 -1.51 0.00 0.00 179.97 180.15 3g6e h SER 189 N 0.78 0.00 -0.55 -3.80 4.64 -1.95 -2.32 113.55 110.35 3g6e h SER 189 Ca 0.10 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 3g6e h SER 189 Cb 0.81 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.83 3g6e h SER 189 CO 0.07 0.12 0.13 0.59 -0.87 0.00 0.00 176.83 176.87 3g6e n ASN 190 N -3.39 4.55 -1.24 4.97 3.02 -1.12 -4.91 115.26 117.14 3g6e n ASN 190 Ca -0.01 -2.89 -0.14 0.00 -0.03 0.00 0.00 54.58 51.51 3g6e n ASN 190 Cb 0.31 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 3g6e n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g6e n GLY 191 N 0.17 0.80 3.22 7.41 0.00 -0.87 -3.63 105.19 112.28 3g6e n GLY 191 Ca 0.29 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 3g6e n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 192 N -1.19 -0.30 0.41 -0.02 0.00 -0.43 -4.95 105.19 98.71 3g6e n GLY 192 Ca -0.15 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3g6e n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6e n LYS 193 N -4.09 0.64 0.00 1.61 5.02 -1.24 -5.07 118.16 115.03 3g6e n LYS 193 Ca -0.10 -1.18 0.07 0.00 -2.02 0.00 0.00 58.31 55.08 3g6e n LYS 193 Cb 0.59 -1.19 0.44 0.00 -0.02 0.00 0.00 35.03 34.85 3g6e n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29