#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6s s PRO 2 N 0.00 2.49 0.34 3.23 0.01 -1.26 -4.89 135.00 134.91 3h6s s PRO 2 Ca 0.00 1.90 0.17 0.00 0.01 0.00 0.00 61.00 63.09 3h6s s PRO 2 Cb 0.00 -1.86 0.45 0.00 0.01 0.00 0.00 34.50 33.11 3h6s s PRO 2 CO 0.00 -1.60 1.62 0.87 0.01 0.00 0.00 177.00 177.90 3h6s h LYS 3 N 0.31 0.00 -3.83 5.54 1.79 -1.97 -3.45 116.57 114.97 3h6s h LYS 3 Ca -0.50 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.81 3h6s h LYS 3 Cb 1.31 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.75 3h6s h LYS 3 CO 0.52 0.44 -0.63 -1.12 -1.08 0.00 0.00 179.45 177.58 3h6s s SER 4 N -6.44 0.17 -0.04 0.86 0.01 -1.26 -4.36 113.70 102.62 3h6s s SER 4 Ca 0.01 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.73 3h6s s SER 4 Cb 0.10 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.49 3h6s s SER 4 CO 0.71 -0.32 0.32 -0.69 0.41 0.00 0.00 173.24 173.68 3h6s s VAL 5 N -1.41 0.04 -0.34 3.43 1.01 -0.35 -4.97 120.40 117.81 3h6s s VAL 5 Ca -0.15 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3h6s s VAL 5 Cb -0.09 -0.58 0.19 0.00 0.00 0.00 0.00 36.38 35.89 3h6s s VAL 5 CO -0.00 -0.19 0.60 -0.62 0.00 0.00 0.00 175.10 174.89 3h6s s ASP 6 N -0.93 -1.55 0.58 3.32 -1.08 -1.26 -1.84 116.67 113.91 3h6s s ASP 6 Ca -0.10 -0.27 0.32 0.00 -0.52 0.00 0.00 52.55 51.98 3h6s s ASP 6 Cb -0.04 1.98 1.78 0.00 -1.46 0.00 0.00 42.92 45.18 3h6s s ASP 6 CO 0.03 -0.24 2.20 -0.50 0.52 0.00 0.00 175.17 177.18 3h6s h TRP 7 N 7.54 0.00 -0.92 -5.34 4.06 -1.39 -1.78 115.95 118.12 3h6s h TRP 7 Ca 0.02 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.99 3h6s h TRP 7 Cb 1.18 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.29 3h6s h TRP 7 CO 0.21 0.05 0.61 0.00 -3.56 0.00 0.00 178.44 175.74 3h6s h ARG 8 N 0.00 1.16 0.00 0.49 3.08 -1.94 -1.29 114.38 115.89 3h6s h ARG 8 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3h6s h ARG 8 Cb 0.16 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3h6s h ARG 8 CO 0.01 0.77 0.00 0.87 -1.07 0.00 0.00 179.97 180.54 3h6s h LYS 9 N 1.20 0.00 -0.28 0.04 1.57 -1.72 -0.31 116.57 117.06 3h6s h LYS 9 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3h6s h LYS 9 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3h6s h LYS 9 CO -0.09 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.42 3h6s n LYS 10 N -2.81 2.47 -0.83 3.15 5.02 -0.51 -4.98 118.16 119.67 3h6s n LYS 10 Ca -0.01 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 3h6s n LYS 10 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3h6s n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6s n GLY 11 N 1.47 0.55 0.07 0.72 0.00 -0.13 -4.93 105.19 102.93 3h6s n GLY 11 Ca 0.18 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3h6s n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h6s n TYR 12 N -2.83 0.58 -4.82 1.61 4.02 -1.09 -4.78 117.16 109.86 3h6s n TYR 12 Ca 0.00 0.17 -0.32 0.00 -0.01 0.00 0.00 57.90 57.74 3h6s n TYR 12 Cb 0.00 -0.71 -0.17 0.00 -0.02 0.00 0.00 39.34 38.45 3h6s n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h6s s VAL 13 N -3.11 2.00 0.85 -0.72 1.01 -1.26 -3.75 120.40 115.43 3h6s s VAL 13 Ca 0.09 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3h6s s VAL 13 Cb 0.14 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.86 3h6s s VAL 13 CO 0.65 0.54 1.11 0.42 0.00 0.00 0.00 175.10 177.83 3h6s s THR 14 N 0.68 2.60 1.06 3.92 -4.23 -1.26 -4.97 115.64 113.44 3h6s s THR 14 Ca -0.11 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 3h6s s THR 14 Cb -0.16 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 70.94 3h6s s THR 14 CO 0.01 -0.25 0.81 -2.65 -0.54 0.00 0.00 174.62 172.00 3h6s n PRO 15 N -3.61 -1.47 -2.42 3.99 -0.02 -1.26 -4.93 135.00 125.28 3h6s n PRO 15 Ca 0.07 -0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 60.74 3h6s n PRO 15 Cb 0.57 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3h6s n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h6s s VAL 16 N -2.44 3.92 0.49 -1.45 1.01 -1.26 -5.03 120.40 115.63 3h6s s VAL 16 Ca 0.65 1.45 0.08 0.00 0.00 0.00 0.00 61.98 64.15 3h6s s VAL 16 Cb -0.22 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.26 3h6s s VAL 16 CO 0.64 0.15 0.54 -0.54 0.00 0.00 0.00 175.10 175.89 3h6s s LYS 17 N 0.64 2.48 -0.13 2.72 1.02 -1.26 -4.63 119.74 120.59 3h6s s LYS 17 Ca 0.57 -1.59 -0.00 0.00 0.02 0.00 0.00 55.97 54.96 3h6s s LYS 17 Cb -0.30 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 3h6s s LYS 17 CO 0.31 -0.48 -0.07 1.21 -0.92 0.00 0.00 175.35 175.40 3h6s s ASN 18 N -4.36 2.44 0.35 2.83 3.84 -1.26 -0.67 114.94 118.11 3h6s s ASN 18 Ca 0.51 -0.44 0.26 0.00 0.21 0.00 0.00 52.86 53.40 3h6s s ASN 18 Cb -0.05 -0.89 0.86 0.00 -0.55 0.00 0.00 41.25 40.61 3h6s s ASN 18 CO 0.31 -0.14 1.76 0.06 -2.79 0.00 0.00 177.10 176.31 3h6s h GLN 19 N 8.15 0.00 0.00 0.43 3.07 -1.56 -3.48 115.11 121.72 3h6s h GLN 19 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 3h6s h GLN 19 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 3h6s h GLN 19 CO 0.41 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.96 3h6s n LYS 20 N -2.63 0.00 -0.35 0.06 5.02 -1.26 -2.60 118.16 116.41 3h6s n LYS 20 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 3h6s n LYS 20 Cb 0.38 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.52 3h6s n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h6s n GLN 21 N 14.00 2.26 -5.18 1.97 0.00 -1.26 -4.77 117.38 124.39 3h6s n GLN 21 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 57.00 55.54 3h6s n GLN 21 Cb 0.00 -1.72 -0.16 0.00 0.00 0.00 0.00 30.24 28.36 3h6s n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h6s n GLY 23 N 2.78 3.84 3.39 0.00 0.00 -0.62 -4.87 105.19 109.71 3h6s n GLY 23 Ca -0.17 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3h6s n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h6s s SER 24 N 1.24 5.94 0.00 1.61 1.04 -1.26 -3.77 113.70 118.50 3h6s s SER 24 Ca 0.63 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3h6s s SER 24 Cb 0.32 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.34 3h6s s SER 24 CO -0.10 -0.48 0.00 -2.67 0.98 0.00 0.00 173.24 170.97 3h6s n TRP 26 N 5.09 0.00 -0.17 5.02 4.27 -1.26 -2.45 117.44 127.93 3h6s n TRP 26 Ca -0.11 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.40 3h6s n TRP 26 Cb 0.45 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 3h6s n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3h6s h ALA 27 N 0.00 0.64 -0.30 -1.67 0.00 -1.93 -1.69 119.26 114.31 3h6s h ALA 27 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3h6s h ALA 27 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h6s h ALA 27 CO 0.00 0.34 -0.20 0.74 0.00 0.00 0.00 179.25 180.14 3h6s h PHE 28 N 0.66 0.61 -0.39 0.00 0.04 -1.85 -1.41 116.94 114.61 3h6s h PHE 28 Ca 0.15 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3h6s h PHE 28 Cb 0.35 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3h6s h PHE 28 CO 0.02 0.72 0.06 1.03 -0.60 0.00 0.00 178.31 179.54 3h6s h SER 29 N 0.50 0.61 -0.17 2.17 0.87 -1.79 -1.03 113.55 114.70 3h6s h SER 29 Ca 0.08 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 3h6s h SER 29 Cb 0.62 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3h6s h SER 29 CO 0.04 0.72 -0.02 0.00 -0.53 0.00 0.00 176.83 177.04 3h6s h ALA 30 N 0.92 0.24 -0.77 6.23 0.00 -1.12 -1.45 119.26 123.31 3h6s h ALA 30 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3h6s h ALA 30 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3h6s h ALA 30 CO 0.01 -0.02 0.31 1.15 0.00 0.00 0.00 179.25 180.70 3h6s h THR 31 N 0.05 1.25 -0.55 0.00 2.02 -1.31 0.89 112.91 115.26 3h6s h THR 31 Ca 0.05 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 3h6s h THR 31 Cb 0.44 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3h6s h THR 31 CO 0.01 0.32 0.17 1.23 0.37 0.00 0.00 175.52 177.63 3h6s h GLY 32 N 1.14 0.92 1.40 2.16 0.00 -0.93 0.34 103.07 108.10 3h6s h GLY 32 Ca 0.26 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 3h6s h GLY 32 CO -0.02 0.51 -0.38 0.00 0.00 0.00 0.00 176.54 176.65 3h6s h ALA 33 N 1.04 0.80 -0.05 3.60 0.00 -0.71 -2.33 119.26 121.60 3h6s h ALA 33 Ca 0.18 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3h6s h ALA 33 Cb 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h6s h ALA 33 CO -0.01 0.65 -0.79 1.25 0.00 0.00 0.00 179.25 180.35 3h6s h LEU 34 N 0.55 0.49 -1.26 0.00 5.85 -0.58 -1.64 115.31 118.71 3h6s h LEU 34 Ca 0.05 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3h6s h LEU 34 Cb 0.90 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3h6s h LEU 34 CO 0.08 1.10 0.51 -0.33 -0.34 0.00 0.00 178.44 179.46 3h6s h GLU 35 N 0.26 0.95 0.48 1.25 5.08 -0.22 -1.59 114.58 120.78 3h6s h GLU 35 Ca -0.04 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3h6s h GLU 35 Cb 1.39 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3h6s h GLU 35 CO 0.14 0.63 -0.23 0.78 -1.00 0.00 0.00 179.01 179.33 3h6s h GLY 36 N 0.98 -0.67 1.23 -3.84 0.00 -0.97 -1.57 103.07 98.23 3h6s h GLY 36 Ca 0.30 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 3h6s h GLY 36 CO -0.08 -0.24 0.30 1.46 0.00 0.00 0.00 176.54 177.98 3h6s h GLN 37 N -0.83 0.99 -0.59 4.80 1.08 -1.24 -1.90 115.11 117.43 3h6s h GLN 37 Ca -0.07 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 3h6s h GLN 37 Cb 0.57 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3h6s h GLN 37 CO 0.11 0.79 0.24 0.52 -0.95 0.00 0.00 178.83 179.53 3h6s h MET 38 N 0.98 0.85 -0.23 1.46 2.86 -1.18 -1.22 114.93 118.46 3h6s h MET 38 Ca 0.24 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3h6s h MET 38 Cb 0.14 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3h6s h MET 38 CO -0.03 0.69 -0.17 0.35 1.06 0.00 0.00 176.91 178.82 3h6s h PHE 39 N 0.84 0.61 -0.89 -0.22 3.04 -0.77 0.33 116.94 119.87 3h6s h PHE 39 Ca 0.20 -0.17 0.06 0.00 3.98 0.00 0.00 57.97 62.05 3h6s h PHE 39 Cb 0.16 -0.13 -0.06 0.00 2.56 0.00 0.00 35.95 38.47 3h6s h PHE 39 CO 0.01 0.82 0.56 -0.09 -2.02 0.00 0.00 178.31 177.59 3h6s h ARG 40 N 0.21 0.99 0.00 1.11 2.43 -1.04 0.65 114.38 118.73 3h6s h ARG 40 Ca 0.04 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3h6s h ARG 40 Cb 0.70 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3h6s h ARG 40 CO 0.04 0.65 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.83 3h6s h LYS 41 N 1.01 0.07 0.00 0.20 3.64 -0.82 -3.40 116.57 117.27 3h6s h LYS 41 Ca 0.39 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3h6s h LYS 41 Cb 0.18 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3h6s h LYS 41 CO -0.17 0.85 -1.11 0.25 -2.27 0.00 0.00 179.45 177.00 3h6s n THR 42 N -4.62 0.00 -0.51 1.00 -2.24 0.11 -4.99 114.28 103.04 3h6s n THR 42 Ca -0.10 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3h6s n THR 42 Cb 0.44 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3h6s n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h6s n GLY 43 N 1.44 1.22 3.56 3.38 0.00 0.21 -5.02 105.19 109.99 3h6s n GLY 43 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3h6s n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6s s LYS 44 N -0.29 3.13 -0.36 1.61 1.02 -1.26 -5.02 119.74 118.58 3h6s s LYS 44 Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 55.97 55.32 3h6s s LYS 44 Cb 0.00 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3h6s s LYS 44 CO 0.00 0.51 0.35 -1.17 -0.92 0.00 0.00 175.35 174.12 3h6s s LEU 45 N -0.38 4.57 -0.08 3.17 2.96 -1.26 -3.92 118.68 123.74 3h6s s LEU 45 Ca 0.06 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3h6s s LEU 45 Cb -0.12 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.28 3h6s s LEU 45 CO 0.02 -0.37 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.86 3h6s s VAL 46 N 1.97 1.25 0.06 1.68 1.01 -1.26 -5.10 120.40 120.01 3h6s s VAL 46 Ca 0.10 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3h6s s VAL 46 Cb -0.17 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 3h6s s VAL 46 CO 0.12 0.39 1.47 -0.55 0.00 0.00 0.00 175.10 176.53 3h6s s SER 47 N 0.82 6.76 0.47 3.32 0.15 -1.26 -4.80 113.70 119.17 3h6s s SER 47 Ca -0.11 2.30 -0.00 0.00 0.70 0.00 0.00 55.95 58.83 3h6s s SER 47 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3h6s s SER 47 CO 0.02 -0.75 0.71 -0.76 1.20 0.00 0.00 173.24 173.65 3h6s s LEU 48 N 2.04 3.57 -0.46 3.45 1.43 -1.26 -0.33 118.68 127.12 3h6s s LEU 48 Ca 0.67 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.85 3h6s s LEU 48 Cb -0.36 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3h6s s LEU 48 CO 0.29 -0.78 0.82 -0.55 0.23 0.00 0.00 176.35 176.37 3h6s s SER 49 N -4.24 6.42 0.19 2.29 0.15 -0.50 -4.11 113.70 113.90 3h6s s SER 49 Ca 0.50 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 57.10 3h6s s SER 49 Cb -0.10 -2.40 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 3h6s s SER 49 CO 0.39 -0.97 1.45 -0.33 1.20 0.00 0.00 173.24 174.98 3h6s h GLU 50 N 9.02 0.19 -0.88 5.44 3.07 -1.88 -2.92 114.58 126.62 3h6s h GLU 50 Ca -0.25 -0.18 0.05 0.00 -0.50 0.00 0.00 59.36 58.49 3h6s h GLU 50 Cb 1.08 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.98 3h6s h GLU 50 CO 0.98 0.87 0.57 0.37 -1.40 0.00 0.00 179.01 180.41 3h6s h GLN 51 N 0.12 1.01 0.16 2.33 5.75 -1.85 0.20 115.11 122.83 3h6s h GLN 51 Ca -0.03 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3h6s h GLN 51 Cb 1.36 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 3h6s h GLN 51 CO 0.12 0.67 -0.11 -0.97 -2.65 0.00 0.00 178.83 175.89 3h6s h ASN 52 N 1.04 -0.27 -0.36 -0.69 -0.00 -1.76 0.21 115.58 113.74 3h6s h ASN 52 Ca 0.36 0.02 0.05 0.00 -0.00 0.00 0.00 56.30 56.74 3h6s h ASN 52 Cb 0.12 0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.48 3h6s h ASN 52 CO -0.12 -0.17 0.07 -0.07 -0.00 0.00 0.00 177.43 177.13 3h6s h LEU 53 N -0.27 0.00 -0.57 0.34 3.38 -1.33 -2.21 115.31 114.66 3h6s h LEU 53 Ca -0.01 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3h6s h LEU 53 Cb 0.23 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h6s h LEU 53 CO 0.00 0.04 -0.38 -0.37 0.09 0.00 0.00 178.44 177.82 3h6s h VAL 54 N 0.19 1.29 -0.18 1.22 -1.51 -0.14 -2.73 116.25 114.38 3h6s h VAL 54 Ca 0.17 -1.55 -0.14 0.00 -1.23 0.00 0.00 66.70 63.95 3h6s h VAL 54 Cb 0.20 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 3h6s h VAL 54 CO -0.23 0.50 -0.49 0.44 -1.23 0.00 0.00 177.57 176.57 3h6s h ASP 55 N 0.60 0.52 -0.01 4.19 3.32 -0.56 -3.37 116.42 121.12 3h6s h ASP 55 Ca 0.05 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3h6s h ASP 55 Cb 0.92 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3h6s h ASP 55 CO 0.08 0.93 -0.28 0.00 -1.72 0.00 0.00 179.24 178.25 3h6s n SER 57 N -0.52 5.16 -0.14 0.00 3.41 -1.03 -4.41 113.62 116.10 3h6s n SER 57 Ca 0.04 -3.04 -0.05 0.00 -0.26 0.00 0.00 58.87 55.55 3h6s n SER 57 Cb 0.20 -0.71 0.13 0.00 -0.26 0.00 0.00 64.21 63.57 3h6s n SER 57 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h6s h ARG 58 N 3.21 0.86 -0.09 4.33 3.08 -1.81 -2.11 114.38 121.85 3h6s h ARG 58 Ca 0.14 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 59.98 3h6s h ARG 58 Cb 2.13 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 32.08 3h6s h ARG 58 CO 0.61 0.85 0.07 -1.35 -1.07 0.00 0.00 179.97 179.08 3h6s h PRO 59 N 0.80 0.00 -0.02 0.04 0.11 -1.85 0.34 132.00 131.42 3h6s h PRO 59 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3h6s h PRO 59 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3h6s h PRO 59 CO 0.02 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.85 3h6s n GLN 60 N -4.48 1.26 0.00 1.05 3.00 -1.06 -4.90 117.38 112.25 3h6s n GLN 60 Ca -0.01 -0.38 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 3h6s n GLN 60 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 28.97 3h6s n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h6s n GLY 61 N 1.03 1.02 3.96 1.08 0.00 0.12 -4.88 105.19 107.52 3h6s n GLY 61 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3h6s n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h6s s ASN 62 N -2.00 6.02 -0.26 1.61 0.01 -0.82 -4.82 114.94 114.68 3h6s s ASN 62 Ca 0.00 0.14 0.16 0.00 -0.71 0.00 0.00 52.86 52.45 3h6s s ASN 62 Cb 0.00 -1.57 0.48 0.00 0.41 0.00 0.00 41.25 40.57 3h6s s ASN 62 CO 0.00 -0.46 1.15 0.00 -1.51 0.00 0.00 177.10 176.28 3h6s n GLN 63 N -1.80 2.44 0.00 -0.60 1.13 0.60 -4.02 117.38 115.12 3h6s n GLN 63 Ca -0.02 -3.71 0.00 0.00 -1.94 0.00 0.00 57.00 51.34 3h6s n GLN 63 Cb 0.57 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 29.11 3h6s n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h6s n GLY 64 N -0.61 3.25 0.20 1.08 0.00 -1.21 -0.45 105.19 107.44 3h6s n GLY 64 Ca 0.23 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3h6s n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6s n ASN 66 N -2.43 0.71 0.00 0.00 5.03 0.40 -1.58 115.26 117.39 3h6s n ASN 66 Ca -0.01 -0.62 0.00 0.00 0.87 0.00 0.00 54.58 54.82 3h6s n ASN 66 Cb 0.07 0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3h6s n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h6s n GLY 67 N 1.35 1.15 0.00 7.41 0.00 -0.55 -4.91 105.19 109.64 3h6s n GLY 67 Ca 0.12 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3h6s n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6s n GLY 68 N -1.07 -0.54 2.94 -0.02 0.00 -1.26 -0.29 105.19 104.95 3h6s n GLY 68 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 3h6s n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h6s s PHE 69 N -3.07 0.86 0.20 1.61 0.40 -1.26 -4.86 117.98 111.85 3h6s s PHE 69 Ca 0.00 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 3h6s s PHE 69 Cb 0.00 -0.68 0.25 0.00 0.51 0.00 0.00 43.02 43.10 3h6s s PHE 69 CO 0.00 -0.16 1.74 0.52 0.70 0.00 0.00 175.22 178.02 3h6s h MET 70 N 6.83 0.34 -0.91 0.44 2.86 -1.98 -0.85 114.93 121.65 3h6s h MET 70 Ca -0.35 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.36 3h6s h MET 70 Cb 1.16 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 3h6s h MET 70 CO 0.48 0.23 0.55 0.00 1.06 0.00 0.00 176.91 179.23 3h6s h ALA 71 N 1.40 1.33 0.00 6.32 0.00 -1.96 -0.07 119.26 126.27 3h6s h ALA 71 Ca 0.29 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3h6s h ALA 71 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h6s h ALA 71 CO -0.31 0.19 -0.36 0.00 0.00 0.00 0.00 179.25 178.77 3h6s h ARG 72 N 0.92 0.00 -0.24 0.00 3.08 -1.54 -1.36 114.38 115.24 3h6s h ARG 72 Ca 0.44 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 3h6s h ARG 72 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3h6s h ARG 72 CO -0.24 0.36 -0.00 0.00 -1.07 0.00 0.00 179.97 179.02 3h6s h ALA 73 N 1.64 0.32 -0.42 0.04 0.00 -0.13 0.89 119.26 121.60 3h6s h ALA 73 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3h6s h ALA 73 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3h6s h ALA 73 CO 0.05 0.05 0.23 0.74 0.00 0.00 0.00 179.25 180.32 3h6s h PHE 74 N 0.20 0.55 -0.30 0.00 0.04 -0.58 -1.27 116.94 115.58 3h6s h PHE 74 Ca 0.07 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 3h6s h PHE 74 Cb 0.41 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3h6s h PHE 74 CO 0.04 0.39 -0.06 0.37 -0.60 0.00 0.00 178.31 178.45 3h6s h GLN 75 N 0.58 0.57 -0.48 1.51 5.75 -0.99 -2.10 115.11 119.96 3h6s h GLN 75 Ca 0.15 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3h6s h GLN 75 Cb 0.02 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 3h6s h GLN 75 CO -0.02 0.76 0.23 -0.92 -2.65 0.00 0.00 178.83 176.22 3h6s h TYR 76 N 0.34 0.42 -0.68 3.99 3.20 -0.09 0.16 116.97 124.32 3h6s h TYR 76 Ca 0.08 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3h6s h TYR 76 Cb 0.54 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3h6s h TYR 76 CO 0.05 0.20 0.41 0.28 -1.64 0.00 0.00 178.16 177.46 3h6s h VAL 77 N 0.45 1.06 0.27 1.81 2.07 -1.03 0.19 116.25 121.07 3h6s h VAL 77 Ca 0.21 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3h6s h VAL 77 Cb 0.13 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3h6s h VAL 77 CO -0.16 0.15 -0.13 0.50 0.02 0.00 0.00 177.57 177.95 3h6s h LYS 78 N 0.80 -0.34 0.00 1.57 3.64 -1.12 0.82 116.57 121.94 3h6s h LYS 78 Ca 0.28 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 3h6s h LYS 78 Cb 0.06 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3h6s h LYS 78 CO -0.13 -0.22 -0.47 0.93 -2.27 0.00 0.00 179.45 177.29 3h6s h GLU 79 N -0.37 0.00 0.00 1.90 5.08 -0.64 -2.85 114.58 117.70 3h6s h GLU 79 Ca -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3h6s h GLU 79 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3h6s h GLU 79 CO 0.06 0.47 -0.25 -0.97 -1.00 0.00 0.00 179.01 177.32 3h6s h ASN 80 N 0.00 0.00 0.00 1.42 -1.24 -0.44 -3.48 115.58 111.84 3h6s h ASN 80 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3h6s h ASN 80 Cb 0.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 3h6s h ASN 80 CO 0.06 0.24 0.00 0.61 -1.29 0.00 0.00 177.43 177.05 3h6s n GLY 81 N 1.16 0.75 0.00 1.57 0.00 0.23 -4.96 105.19 103.94 3h6s n GLY 81 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3h6s n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6s n GLY 82 N -2.43 -2.17 3.33 -0.02 0.00 -0.90 -4.88 105.19 98.11 3h6s n GLY 82 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3h6s n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h6s s LEU 83 N 0.00 0.18 0.53 0.99 2.96 -0.89 -4.72 118.68 117.74 3h6s s LEU 83 Ca 0.00 0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 3h6s s LEU 83 Cb 0.00 1.50 -0.07 0.00 0.50 0.00 0.00 46.19 48.12 3h6s s LEU 83 CO 0.00 -0.17 1.01 -1.81 -1.32 0.00 0.00 176.35 174.06 3h6s s ASP 84 N 0.54 6.40 0.60 3.68 -0.00 -1.26 -0.88 116.67 125.75 3h6s s ASP 84 Ca -0.02 1.66 -0.17 0.00 -0.00 0.00 0.00 52.55 54.02 3h6s s ASP 84 Cb -0.04 -2.52 -0.03 0.00 -0.00 0.00 0.00 42.92 40.33 3h6s s ASP 84 CO -0.03 -0.74 1.11 -0.94 -0.00 0.00 0.00 175.17 174.57 3h6s s SER 85 N -2.89 5.46 0.24 0.27 1.04 -1.22 -1.41 113.70 115.19 3h6s s SER 85 Ca 0.61 2.05 -0.05 0.00 0.48 0.00 0.00 55.95 59.04 3h6s s SER 85 Cb -0.12 -2.56 0.42 0.00 0.10 0.00 0.00 66.02 63.86 3h6s s SER 85 CO 0.31 -1.39 1.73 -0.08 0.98 0.00 0.00 173.24 174.79 3h6s h GLU 86 N 0.59 0.44 -0.55 4.02 4.57 -0.83 -2.03 114.58 120.79 3h6s h GLU 86 Ca -0.48 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.68 3h6s h GLU 86 Cb 1.25 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 3h6s h GLU 86 CO 0.56 0.29 0.36 1.49 -1.18 0.00 0.00 179.01 180.52 3h6s h GLU 87 N 0.45 0.71 0.00 1.92 4.81 -1.92 -2.41 114.58 118.14 3h6s h GLU 87 Ca 0.39 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3h6s h GLU 87 Cb 0.57 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3h6s h GLU 87 CO -0.38 0.47 -0.19 0.66 -0.73 0.00 0.00 179.01 178.83 3h6s h SER 88 N 0.73 0.00 -2.20 1.04 4.64 -1.89 -3.38 113.55 112.49 3h6s h SER 88 Ca 0.20 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.96 3h6s h SER 88 Cb -0.07 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 61.65 3h6s h SER 88 CO -0.05 0.03 -0.99 0.00 -0.87 0.00 0.00 176.83 174.95 3h6s n TYR 89 N -3.04 -0.92 -1.86 4.77 4.19 -0.78 -4.99 117.16 114.53 3h6s n TYR 89 Ca 0.03 -3.29 -0.38 0.00 3.31 0.00 0.00 57.90 57.58 3h6s n TYR 89 Cb 0.55 0.16 0.04 0.00 0.49 0.00 0.00 39.34 40.58 3h6s n TYR 89 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3h6s s PRO 90 N -0.23 3.10 -0.04 2.98 0.04 -0.94 -4.56 135.00 135.35 3h6s s PRO 90 Ca 0.33 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 3h6s s PRO 90 Cb 0.07 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3h6s s PRO 90 CO -0.17 -1.18 1.27 -0.47 0.04 0.00 0.00 177.00 176.49 3h6s s TYR 91 N -1.38 3.06 0.00 0.56 6.04 -1.26 -4.73 117.35 119.64 3h6s s TYR 91 Ca 0.73 1.07 0.00 0.00 0.04 0.00 0.00 57.07 58.91 3h6s s TYR 91 Cb -0.37 -3.51 0.00 0.00 -1.04 0.00 0.00 41.96 37.04 3h6s s TYR 91 CO 0.43 -1.72 0.29 1.33 -1.54 0.00 0.00 175.55 174.34 3h6s n VAL 92 N 4.65 0.00 -2.44 3.14 0.24 -1.26 -5.03 118.33 117.63 3h6s n VAL 92 Ca 0.12 -0.44 -0.21 0.00 -2.04 0.00 0.00 64.34 61.77 3h6s n VAL 92 Cb 0.45 1.08 -0.01 0.00 -1.47 0.00 0.00 33.84 33.89 3h6s n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h6s n ALA 93 N -0.31 -0.64 -2.91 2.33 0.00 -1.26 -4.98 120.51 112.74 3h6s n ALA 93 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 3h6s n ALA 93 Cb 0.02 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 3h6s n ALA 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h6s s VAL 94 N -3.05 0.11 -0.04 0.00 -7.23 -1.26 -4.11 120.40 104.82 3h6s s VAL 94 Ca 0.02 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 3h6s s VAL 94 Cb -0.01 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 3h6s s VAL 94 CO 0.03 -0.51 1.56 -1.81 -0.31 0.00 0.00 175.10 174.06 3h6s s ASP 95 N -1.68 6.73 0.30 4.85 1.11 -1.26 -4.93 116.67 121.78 3h6s s ASP 95 Ca -0.12 2.18 0.03 0.00 0.18 0.00 0.00 52.55 54.82 3h6s s ASP 95 Cb -0.06 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 3h6s s ASP 95 CO -0.01 -0.87 0.14 -1.61 1.18 0.00 0.00 175.17 174.00 3h6s s GLU 96 N 3.54 1.57 0.36 8.23 2.02 -1.26 -5.10 118.70 128.06 3h6s s GLU 96 Ca 0.70 -1.89 -0.28 0.00 0.02 0.00 0.00 54.97 53.52 3h6s s GLU 96 Cb -0.32 -0.20 -0.10 0.00 0.10 0.00 0.00 34.13 33.61 3h6s s GLU 96 CO 0.27 -0.40 1.29 -1.50 0.02 0.00 0.00 175.26 174.94 3h6s s ILE 97 N -3.61 2.75 0.12 -1.63 2.07 -1.26 -4.54 121.20 115.10 3h6s s ILE 97 Ca 0.35 0.72 -0.34 0.00 -1.41 0.00 0.00 60.65 59.97 3h6s s ILE 97 Cb 0.06 -3.45 -0.14 0.00 0.13 0.00 0.00 42.46 39.06 3h6s s ILE 97 CO 0.16 0.15 1.58 0.00 -1.91 0.00 0.00 174.94 174.92 3h6s n LYS 99 N 3.68 0.54 -1.71 0.00 5.02 -1.26 -5.05 118.16 119.37 3h6s n LYS 99 Ca 0.18 -2.35 -0.43 0.00 -2.02 0.00 0.00 58.31 53.69 3h6s n LYS 99 Cb 0.27 -0.59 -0.01 0.00 -0.02 0.00 0.00 35.03 34.68 3h6s n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h6s n TYR 100 N -0.11 2.46 -3.83 2.13 4.19 -1.26 -5.00 117.16 115.73 3h6s n TYR 100 Ca 0.10 0.46 -0.27 0.00 3.31 0.00 0.00 57.90 61.50 3h6s n TYR 100 Cb 0.95 -2.47 -0.17 0.00 0.49 0.00 0.00 39.34 38.15 3h6s n TYR 100 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3h6s s ARG 101 N -1.35 1.11 0.28 2.98 0.52 -1.26 -5.02 118.95 116.22 3h6s s ARG 101 Ca 0.59 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 3h6s s ARG 101 Cb -0.56 -1.88 0.57 0.00 0.52 0.00 0.00 34.95 33.60 3h6s s ARG 101 CO 0.57 -0.47 1.79 -1.35 0.02 0.00 0.00 175.30 175.87 3h6s h PRO 102 N 8.18 0.76 0.00 3.54 0.11 -1.97 0.09 132.00 142.70 3h6s h PRO 102 Ca -0.21 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3h6s h PRO 102 Cb 1.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h6s h PRO 102 CO 0.36 0.51 0.02 1.05 -0.21 0.00 0.00 178.00 179.73 3h6s h GLU 103 N 0.79 0.00 -0.02 1.05 9.09 -2.02 -1.72 114.58 121.74 3h6s h GLU 103 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3h6s h GLU 103 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3h6s h GLU 103 CO -0.33 0.00 -0.01 0.09 0.05 0.00 0.00 179.01 178.82 3h6s n ASN 104 N -2.84 2.18 -4.72 3.06 3.02 -0.00 -4.99 115.26 110.96 3h6s n ASN 104 Ca -0.03 -1.59 -0.42 0.00 -0.03 0.00 0.00 54.58 52.52 3h6s n ASN 104 Cb 0.08 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3h6s n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h6s s SER 105 N -1.22 6.39 -0.01 6.41 0.15 -0.65 -3.40 113.70 121.38 3h6s s SER 105 Ca 0.17 2.86 0.02 0.00 0.70 0.00 0.00 55.95 59.69 3h6s s SER 105 Cb 0.12 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.85 3h6s s SER 105 CO 0.19 -0.96 0.90 1.33 1.20 0.00 0.00 173.24 175.90 3h6s n VAL 106 N 3.79 0.82 -3.75 4.45 0.24 -0.06 -4.91 118.33 118.90 3h6s n VAL 106 Ca 0.15 -0.85 -0.10 0.00 -2.04 0.00 0.00 64.34 61.50 3h6s n VAL 106 Cb 0.36 0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 3h6s n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h6s s ALA 107 N -0.91 -0.65 0.07 2.33 0.00 -1.15 -5.01 121.76 116.44 3h6s s ALA 107 Ca 0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 3h6s s ALA 107 Cb 0.02 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.92 3h6s s ALA 107 CO 0.00 -0.65 0.59 -0.65 0.00 0.00 0.00 175.76 175.05 3h6s s GLN 108 N -3.86 1.13 0.09 0.00 -0.21 -1.26 -2.09 119.66 113.47 3h6s s GLN 108 Ca 0.07 -0.21 -0.08 0.00 0.02 0.00 0.00 55.36 55.16 3h6s s GLN 108 Cb 0.02 0.52 -0.00 0.00 1.00 0.00 0.00 33.01 34.55 3h6s s GLN 108 CO -0.08 -0.43 0.18 0.16 -2.12 0.00 0.00 175.29 173.00 3h6s s ASP 109 N -2.09 0.13 -0.16 5.90 1.47 -1.26 -4.70 116.67 115.96 3h6s s ASP 109 Ca -0.04 -0.66 0.16 0.00 1.18 0.00 0.00 52.55 53.19 3h6s s ASP 109 Cb -0.01 0.33 0.61 0.00 -0.34 0.00 0.00 42.92 43.52 3h6s s ASP 109 CO -0.03 -0.72 1.53 0.35 0.68 0.00 0.00 175.17 176.97 3h6s n THR 110 N -0.04 2.19 0.00 2.11 -2.24 0.38 -3.64 114.28 113.05 3h6s n THR 110 Ca -0.15 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 3h6s n THR 110 Cb 0.62 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3h6s n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h6s n GLY 111 N 0.18 0.58 3.67 3.38 0.00 -1.26 -4.96 105.19 106.77 3h6s n GLY 111 Ca 0.23 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3h6s n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h6s s PHE 112 N -1.65 0.47 0.08 1.61 -0.12 -1.26 -1.26 117.98 115.85 3h6s s PHE 112 Ca 0.00 -0.92 0.08 0.00 -0.05 0.00 0.00 56.93 56.05 3h6s s PHE 112 Cb 0.00 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 3h6s s PHE 112 CO 0.00 -1.30 -0.22 0.99 -0.05 0.00 0.00 175.22 174.64 3h6s s THR 113 N -2.98 1.78 -0.11 -4.49 2.01 0.27 -4.84 115.64 107.28 3h6s s THR 113 Ca 0.21 -1.46 -0.00 0.00 0.31 0.00 0.00 61.69 60.76 3h6s s THR 113 Cb -0.03 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 3h6s s THR 113 CO 0.14 0.06 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.34 3h6s s VAL 114 N -1.02 3.37 0.12 3.82 1.01 -1.26 -0.98 120.40 125.45 3h6s s VAL 114 Ca 0.08 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 3h6s s VAL 114 Cb -0.10 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 3h6s s VAL 114 CO 0.04 0.54 0.89 -0.69 0.00 0.00 0.00 175.10 175.88 3h6s s VAL 115 N -0.06 4.47 -0.20 2.92 1.01 -0.22 -4.97 120.40 123.35 3h6s s VAL 115 Ca -0.01 1.93 -0.40 0.00 0.00 0.00 0.00 61.98 63.50 3h6s s VAL 115 Cb -0.14 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 3h6s s VAL 115 CO 0.03 0.38 1.60 0.00 0.00 0.00 0.00 175.10 177.11 3h6s n ALA 116 N 2.46 -0.71 -1.66 5.51 0.00 -1.26 -4.66 120.51 120.19 3h6s n ALA 116 Ca -0.00 0.44 -0.48 0.00 0.00 0.00 0.00 53.44 53.40 3h6s n ALA 116 Cb 0.49 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 3h6s n ALA 116 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h6s n PRO 117 N 4.33 1.95 -0.97 0.00 -0.02 -1.26 -2.30 135.00 136.74 3h6s n PRO 117 Ca 0.25 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3h6s n PRO 117 Cb 0.12 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3h6s n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h6s n GLY 118 N 3.50 0.54 3.34 -1.23 0.00 0.62 -4.94 105.19 107.01 3h6s n GLY 118 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3h6s n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6s s LYS 119 N -0.33 2.87 0.35 1.61 -0.14 -0.97 -4.86 119.74 118.26 3h6s s LYS 119 Ca 0.00 -1.45 0.04 0.00 -1.36 0.00 0.00 55.97 53.20 3h6s s LYS 119 Cb 0.00 -4.07 0.64 0.00 -1.68 0.00 0.00 37.83 32.72 3h6s s LYS 119 CO 0.00 -1.06 1.92 0.93 -0.76 0.00 0.00 175.35 176.37 3h6s h GLU 120 N 8.68 0.58 -0.24 1.68 5.08 -1.89 -0.31 114.58 128.16 3h6s h GLU 120 Ca -0.27 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 3h6s h GLU 120 Cb 1.10 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3h6s h GLU 120 CO 0.87 0.53 -0.51 0.87 -1.00 0.00 0.00 179.01 179.77 3h6s h LYS 121 N 0.57 0.68 -0.14 2.33 1.57 -1.98 0.79 116.57 120.39 3h6s h LYS 121 Ca 0.13 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 3h6s h LYS 121 Cb 0.21 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3h6s h LYS 121 CO -0.00 1.03 -0.41 0.00 -0.57 0.00 0.00 179.45 179.49 3h6s h ALA 122 N 0.90 1.04 -0.26 3.86 0.00 -1.83 -1.03 119.26 121.94 3h6s h ALA 122 Ca 0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3h6s h ALA 122 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h6s h ALA 122 CO 0.10 0.61 -0.36 1.25 0.00 0.00 0.00 179.25 180.85 3h6s h LEU 123 N 0.27 0.61 -1.02 0.00 5.85 -0.65 0.19 115.31 120.57 3h6s h LEU 123 Ca 0.02 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 3h6s h LEU 123 Cb 0.84 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3h6s h LEU 123 CO 0.07 0.92 0.06 -0.03 -0.34 0.00 0.00 178.44 179.12 3h6s h MET 124 N 0.49 0.76 -0.27 1.25 4.05 -0.33 0.17 114.93 121.06 3h6s h MET 124 Ca 0.05 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 3h6s h MET 124 Cb 0.86 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3h6s h MET 124 CO 0.07 0.73 0.09 -0.22 0.23 0.00 0.00 176.91 177.82 3h6s h LYS 125 N 0.73 0.41 -0.31 0.39 3.64 -0.82 0.48 116.57 121.09 3h6s h LYS 125 Ca 0.15 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3h6s h LYS 125 Cb 0.36 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3h6s h LYS 125 CO 0.01 0.46 0.09 0.00 -2.27 0.00 0.00 179.45 177.74 3h6s h ALA 126 N 0.93 0.41 0.00 5.00 0.00 -0.09 -0.83 119.26 124.67 3h6s h ALA 126 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3h6s h ALA 126 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3h6s h ALA 126 CO -0.00 0.06 -0.28 -0.39 0.00 0.00 0.00 179.25 178.63 3h6s h VAL 127 N 0.34 0.99 -0.01 0.00 -1.51 -0.42 -0.20 116.25 115.44 3h6s h VAL 127 Ca 0.10 -1.05 -0.17 0.00 -1.23 0.00 0.00 66.70 64.35 3h6s h VAL 127 Cb 0.27 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 3h6s h VAL 127 CO -0.00 0.28 -0.77 0.00 -1.23 0.00 0.00 177.57 175.84 3h6s h ALA 128 N 1.72 0.67 0.00 5.19 0.00 -0.69 -3.26 119.26 122.89 3h6s h ALA 128 Ca -0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3h6s h ALA 128 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3h6s h ALA 128 CO 0.04 0.88 -1.88 0.25 0.00 0.00 0.00 179.25 178.53 3h6s n THR 129 N -3.70 0.30 -0.11 0.00 -2.24 -0.34 -4.77 114.28 103.42 3h6s n THR 129 Ca -0.02 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 3h6s n THR 129 Cb 0.74 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 3h6s n THR 129 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h6s n VAL 130 N -2.24 1.27 0.00 2.28 0.31 -0.12 -5.08 118.33 114.75 3h6s n VAL 130 Ca -0.10 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3h6s n VAL 130 Cb 0.61 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 3h6s n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h6s n GLY 131 N 1.79 0.79 3.63 2.92 0.00 -1.23 -4.89 105.19 108.20 3h6s n GLY 131 Ca -0.44 -2.03 -0.46 0.00 0.00 0.00 0.00 46.02 43.09 3h6s n GLY 131 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h6s n PRO 132 N 0.00 1.68 -4.97 1.61 -0.02 -1.26 -4.43 135.00 127.61 3h6s n PRO 132 Ca 0.00 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 3h6s n PRO 132 Cb 0.00 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 3h6s n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h6s s ILE 133 N -0.18 2.76 -0.03 4.25 -1.09 0.43 -4.69 121.20 122.65 3h6s s ILE 133 Ca 0.69 -0.81 -0.30 0.00 -2.23 0.00 0.00 60.65 58.00 3h6s s ILE 133 Cb -0.72 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 3h6s s ILE 133 CO 0.51 0.56 1.20 -0.44 -1.23 0.00 0.00 174.94 175.55 3h6s s SER 134 N -0.22 7.06 0.11 3.58 0.01 -0.56 -0.76 113.70 122.91 3h6s s SER 134 Ca -0.00 1.85 0.03 0.00 1.31 0.00 0.00 55.95 59.14 3h6s s SER 134 Cb -0.13 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3h6s s SER 134 CO 0.03 -0.56 -0.08 0.68 0.41 0.00 0.00 173.24 173.72 3h6s s VAL 135 N 1.99 0.82 0.11 3.43 -7.23 -0.80 -0.77 120.40 117.95 3h6s s VAL 135 Ca 0.56 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 3h6s s VAL 135 Cb -0.26 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3h6s s VAL 135 CO 0.23 -0.79 0.06 0.00 -0.31 0.00 0.00 175.10 174.30 3h6s s ALA 136 N -3.32 3.46 0.17 1.32 0.00 -1.25 -0.43 121.76 121.70 3h6s s ALA 136 Ca 0.11 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 3h6s s ALA 136 Cb 0.03 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.85 3h6s s ALA 136 CO -0.03 0.65 0.39 0.00 0.00 0.00 0.00 175.76 176.76 3h6s s MET 137 N -2.60 1.22 -0.63 0.00 0.23 -0.02 -3.98 119.30 113.51 3h6s s MET 137 Ca 0.29 -1.00 -0.20 0.00 -1.03 0.00 0.00 55.69 53.75 3h6s s MET 137 Cb -0.11 0.44 0.10 0.00 -1.53 0.00 0.00 34.83 33.73 3h6s s MET 137 CO 0.21 -0.48 0.79 0.34 -2.03 0.00 0.00 175.02 173.85 3h6s s ASP 138 N -2.91 6.21 0.00 -1.18 3.68 0.38 -0.96 116.67 121.90 3h6s s ASP 138 Ca 0.12 -1.38 0.23 0.00 2.13 0.00 0.00 52.55 53.64 3h6s s ASP 138 Cb 0.02 -2.33 0.52 0.00 -1.45 0.00 0.00 42.92 39.67 3h6s s ASP 138 CO -0.03 -1.18 1.46 0.00 0.13 0.00 0.00 175.17 175.55 3h6s n ALA 139 N 6.63 2.41 -1.33 3.66 0.00 -1.26 -4.82 120.51 125.80 3h6s n ALA 139 Ca -0.06 -1.07 -0.25 0.00 0.00 0.00 0.00 53.44 52.06 3h6s n ALA 139 Cb 0.44 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 3h6s n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6s n GLY 140 N 1.54 3.90 2.96 0.00 0.00 -1.26 -4.55 105.19 107.79 3h6s n GLY 140 Ca 0.21 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 3h6s n GLY 140 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h6s s HIS 141 N 0.19 -0.03 0.40 1.61 3.76 -1.26 -5.03 115.29 114.92 3h6s s HIS 141 Ca 0.64 0.09 0.13 0.00 -0.15 0.00 0.00 55.06 55.77 3h6s s HIS 141 Cb 0.29 -0.00 0.96 0.00 1.11 0.00 0.00 32.58 34.94 3h6s s HIS 141 CO -0.09 -0.08 1.89 0.77 -0.85 0.00 0.00 174.74 176.39 3h6s h SER 142 N 5.74 0.50 -0.66 1.40 0.02 -1.98 0.06 113.55 118.63 3h6s h SER 142 Ca -0.26 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 3h6s h SER 142 Cb 1.20 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 3h6s h SER 142 CO 0.45 0.25 0.44 0.77 -1.14 0.00 0.00 176.83 177.60 3h6s h SER 143 N 0.52 0.48 0.18 3.07 4.64 -1.95 0.21 113.55 120.69 3h6s h SER 143 Ca 0.42 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 61.39 3h6s h SER 143 Cb 0.84 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3h6s h SER 143 CO -0.16 0.29 -1.85 0.15 -0.87 0.00 0.00 176.83 174.39 3h6s h PHE 144 N 0.53 0.62 -0.35 4.77 3.04 -1.38 -1.81 116.94 122.36 3h6s h PHE 144 Ca 0.30 -0.45 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 3h6s h PHE 144 Cb 0.47 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 3h6s h PHE 144 CO -0.00 1.71 0.17 1.96 -2.02 0.00 0.00 178.31 180.13 3h6s h GLN 145 N 0.09 0.48 -0.27 1.11 1.08 -0.07 -1.33 115.11 116.20 3h6s h GLN 145 Ca -0.37 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3h6s h GLN 145 Cb 2.07 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.40 3h6s h GLN 145 CO 0.14 0.38 0.00 1.19 -0.95 0.00 0.00 178.83 179.59 3h6s n PHE 146 N -4.42 0.77 -1.54 2.96 3.72 0.65 -4.93 117.46 114.66 3h6s n PHE 146 Ca 0.02 -0.77 -0.44 0.00 -0.05 0.00 0.00 57.45 56.22 3h6s n PHE 146 Cb 0.11 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 3h6s n PHE 146 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h6s n TYR 147 N -0.24 0.62 0.00 1.38 4.19 -0.51 -4.93 117.16 117.67 3h6s n TYR 147 Ca 0.18 0.68 0.00 0.00 3.31 0.00 0.00 57.90 62.07 3h6s n TYR 147 Cb 0.74 -2.15 0.00 0.00 0.49 0.00 0.00 39.34 38.42 3h6s n TYR 147 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3h6s n LYS 148 N 0.61 0.00 -3.69 2.98 0.00 -1.26 -3.15 118.16 113.66 3h6s n LYS 148 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.38 3h6s n LYS 148 Cb 0.34 -0.69 -0.01 0.00 0.00 0.00 0.00 35.03 34.67 3h6s n LYS 148 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3h6s s SER 149 N -4.23 -0.20 0.00 3.14 1.04 -1.26 -3.11 113.70 109.08 3h6s s SER 149 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3h6s s SER 149 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3h6s s SER 149 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3h6s n GLY 150 N -0.42 -2.72 3.58 7.32 0.00 -1.26 -4.82 105.19 106.87 3h6s n GLY 150 Ca -0.07 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3h6s n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h6s s ILE 151 N -0.61 4.89 0.02 -0.61 1.01 -1.26 -4.05 121.20 120.59 3h6s s ILE 151 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 3h6s s ILE 151 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3h6s s ILE 151 CO 0.00 -0.25 1.29 -0.47 0.00 0.00 0.00 174.94 175.51 3h6s s TYR 152 N 2.70 3.15 -0.06 3.97 5.04 0.14 -4.79 117.35 127.50 3h6s s TYR 152 Ca 0.25 1.07 -0.03 0.00 -2.44 0.00 0.00 57.07 55.92 3h6s s TYR 152 Cb -0.15 -3.54 0.04 0.00 0.35 0.00 0.00 41.96 38.66 3h6s s TYR 152 CO 0.14 -1.83 0.14 0.12 -1.34 0.00 0.00 175.55 172.77 3h6s s PHE 153 N 1.81 -0.15 -0.15 4.97 5.36 -1.26 -1.52 117.98 127.04 3h6s s PHE 153 Ca 0.61 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 3h6s s PHE 153 Cb -0.30 -0.08 0.05 0.00 -0.34 0.00 0.00 43.02 42.36 3h6s s PHE 153 CO 0.27 -0.15 0.05 -2.00 -1.46 0.00 0.00 175.22 171.93 3h6s s GLU 154 N 1.05 0.35 0.47 10.12 2.56 -1.26 -5.05 118.70 126.96 3h6s s GLU 154 Ca -0.08 -0.13 0.19 0.00 0.00 0.00 0.00 54.97 54.95 3h6s s GLU 154 Cb -0.10 -1.66 1.19 0.00 2.00 0.00 0.00 34.13 35.56 3h6s s GLU 154 CO -0.05 -0.57 1.98 -1.00 -0.56 0.00 0.00 175.26 175.06 3h6s h PRO 155 N 8.34 0.22 -0.05 4.30 0.13 -2.05 -0.16 132.00 142.73 3h6s h PRO 155 Ca -0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3h6s h PRO 155 Cb 1.13 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3h6s h PRO 155 CO 0.29 0.15 0.00 -3.47 -0.23 0.00 0.00 178.00 174.73 3h6s n ASP 156 N -4.44 0.65 -4.74 1.44 2.03 -1.26 -4.94 116.55 105.29 3h6s n ASP 156 Ca 0.10 -1.47 -0.42 0.00 0.52 0.00 0.00 54.79 53.52 3h6s n ASP 156 Cb 0.48 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 3h6s n ASP 156 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h6s s SER 158 N 0.65 6.50 0.00 0.00 0.15 -1.26 -4.55 113.70 115.20 3h6s s SER 158 Ca 0.64 0.74 0.13 0.00 0.70 0.00 0.00 55.95 58.16 3h6s s SER 158 Cb -0.44 -2.15 0.26 0.00 -1.71 0.00 0.00 66.02 61.98 3h6s s SER 158 CO 0.40 -0.11 1.15 -1.54 1.20 0.00 0.00 173.24 174.35 3h6s n SER 159 N -0.51 2.72 -0.05 5.45 3.41 -1.26 -2.94 113.62 120.44 3h6s n SER 159 Ca -0.01 -1.83 -0.09 0.00 -0.26 0.00 0.00 58.87 56.68 3h6s n SER 159 Cb 0.53 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 3h6s n SER 159 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h6s n LYS 160 N 0.72 0.20 -3.10 4.33 5.02 -1.26 -4.42 118.16 119.66 3h6s n LYS 160 Ca 0.11 0.08 -0.45 0.00 -2.02 0.00 0.00 58.31 56.03 3h6s n LYS 160 Cb 0.41 -0.93 -0.04 0.00 -0.02 0.00 0.00 35.03 34.45 3h6s n LYS 160 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3h6s s ASN 161 N -5.54 6.38 -0.11 4.39 0.01 -1.26 -5.03 114.94 113.78 3h6s s ASN 161 Ca -0.13 -1.77 -0.03 0.00 -0.71 0.00 0.00 52.86 50.22 3h6s s ASN 161 Cb 0.04 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 3h6s s ASN 161 CO 0.17 -1.02 0.02 -0.76 -1.51 0.00 0.00 177.10 174.00 3h6s s LEU 162 N 2.30 3.67 0.00 0.60 1.43 -1.26 -4.44 118.68 120.98 3h6s s LEU 162 Ca 0.18 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3h6s s LEU 162 Cb -0.17 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3h6s s LEU 162 CO 0.00 0.34 0.34 -0.90 0.23 0.00 0.00 176.35 176.37 3h6s n ASP 163 N 2.41 0.68 -3.82 2.29 5.75 -0.13 -4.87 116.55 118.87 3h6s n ASP 163 Ca -0.18 -1.00 -0.17 0.00 -0.01 0.00 0.00 54.79 53.43 3h6s n ASP 163 Cb 0.53 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.46 3h6s n ASP 163 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h6s s HIS 164 N -0.00 0.30 -0.22 2.11 5.04 -0.90 -4.94 115.29 116.68 3h6s s HIS 164 Ca 0.00 0.01 -0.15 0.00 -1.54 0.00 0.00 55.06 53.38 3h6s s HIS 164 Cb 0.00 -0.40 -0.04 0.00 0.04 0.00 0.00 32.58 32.18 3h6s s HIS 164 CO 0.00 -0.13 0.35 0.20 -2.34 0.00 0.00 174.74 172.83 3h6s s GLY 165 N 1.02 2.05 0.00 1.59 0.00 -1.26 -0.84 107.32 109.87 3h6s s GLY 165 Ca -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3h6s s GLY 165 CO -0.02 0.76 0.00 3.33 0.00 0.00 0.00 173.10 177.17 3h6s n VAL 166 N 4.41 0.00 -3.93 1.40 0.24 0.43 -4.41 118.33 116.46 3h6s n VAL 166 Ca -0.10 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.97 3h6s n VAL 166 Cb 0.51 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.71 3h6s n VAL 166 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h6s s LEU 167 N 0.00 0.98 -0.33 1.34 2.96 -1.05 -1.91 118.68 120.67 3h6s s LEU 167 Ca 0.00 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.50 3h6s s LEU 167 Cb 0.00 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 46.10 3h6s s LEU 167 CO 0.00 -0.13 0.79 -0.69 -1.32 0.00 0.00 176.35 175.00 3h6s s VAL 168 N 1.61 4.77 -1.31 1.68 1.01 0.06 0.04 120.40 128.26 3h6s s VAL 168 Ca 0.01 1.07 0.11 0.00 0.00 0.00 0.00 61.98 63.17 3h6s s VAL 168 Cb -0.13 -4.17 0.13 0.00 0.00 0.00 0.00 36.38 32.21 3h6s s VAL 168 CO -0.05 -0.32 0.93 1.33 0.00 0.00 0.00 175.10 176.99 3h6s n VAL 169 N 5.64 0.19 -1.62 2.92 0.24 -0.27 -0.43 118.33 124.99 3h6s n VAL 169 Ca 0.03 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3h6s n VAL 169 Cb 0.48 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 3h6s n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h6s n GLY 170 N 0.61 -1.24 3.55 7.63 0.00 -1.16 -0.83 105.19 113.75 3h6s n GLY 170 Ca 0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3h6s n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h6s s TYR 171 N -2.53 -0.13 0.00 1.61 -0.85 -0.77 -0.57 117.35 114.12 3h6s s TYR 171 Ca 0.00 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 3h6s s TYR 171 Cb 0.00 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.76 3h6s s TYR 171 CO 0.00 -0.95 0.00 0.41 -1.52 0.00 0.00 175.55 173.49 3h6s n GLY 172 N -0.36 1.06 3.54 5.49 0.00 -0.43 -1.21 105.19 113.29 3h6s n GLY 172 Ca -0.09 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 3h6s n GLY 172 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h6s s PHE 173 N -1.38 -0.68 0.27 1.61 -0.12 -1.26 -1.91 117.98 114.51 3h6s s PHE 173 Ca 0.00 1.39 0.02 0.00 -0.05 0.00 0.00 56.93 58.29 3h6s s PHE 173 Cb 0.00 0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 3h6s s PHE 173 CO 0.00 -0.51 0.44 -1.21 -0.05 0.00 0.00 175.22 173.90 3h6s s GLU 174 N -0.58 3.48 2.07 1.99 2.02 0.19 -4.98 118.70 122.88 3h6s s GLU 174 Ca -0.07 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3h6s s GLU 174 Cb -0.02 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3h6s s GLU 174 CO 0.06 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3h6s n GLY 175 N -1.36 -1.02 0.08 -1.39 0.00 -1.26 -4.45 105.19 95.79 3h6s n GLY 175 Ca -0.06 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 3h6s n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6s h ALA 176 N -0.28 0.57 -2.65 4.61 0.00 -1.94 -3.46 119.26 116.11 3h6s h ALA 176 Ca 0.00 -1.22 -0.59 0.00 0.00 0.00 0.00 54.91 53.10 3h6s h ALA 176 Cb 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3h6s h ALA 176 CO 0.00 1.42 0.06 1.21 0.00 0.00 0.00 179.25 181.94 3h6s s ASN 177 N -6.41 6.71 0.42 0.00 3.84 -1.26 -4.91 114.94 113.33 3h6s s ASN 177 Ca -0.03 0.86 0.28 0.00 0.21 0.00 0.00 52.86 54.18 3h6s s ASN 177 Cb 0.09 -2.34 1.50 0.00 -0.55 0.00 0.00 41.25 39.95 3h6s s ASN 177 CO 0.82 -0.20 1.84 0.77 -2.79 0.00 0.00 177.10 177.54 3h6s h SER 178 N 7.27 0.00 -0.12 -4.21 4.64 -1.91 -0.40 113.55 118.82 3h6s h SER 178 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3h6s h SER 178 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3h6s h SER 178 CO 0.77 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 176.06 3h6s n ASP 179 N -2.48 2.83 -4.11 4.97 -0.08 -1.26 -4.84 116.55 111.57 3h6s n ASP 179 Ca -0.02 -2.74 -0.30 0.00 -1.51 0.00 0.00 54.79 50.22 3h6s n ASP 179 Cb 0.07 -0.36 -0.17 0.00 2.34 0.00 0.00 41.12 43.00 3h6s n ASP 179 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 3h6s s ASN 180 N -2.02 2.76 -0.69 1.67 0.01 -0.16 -4.70 114.94 111.80 3h6s s ASN 180 Ca 0.28 -0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.90 3h6s s ASN 180 Cb 0.23 -1.26 -0.03 0.00 0.41 0.00 0.00 41.25 40.60 3h6s s ASN 180 CO 0.06 0.05 0.60 -1.20 -1.51 0.00 0.00 177.10 175.09 3h6s n SER 181 N 4.12 -4.12 -4.86 -1.22 7.64 -1.26 -3.88 113.62 110.04 3h6s n SER 181 Ca -0.19 -0.43 -0.31 0.00 1.01 0.00 0.00 58.87 58.94 3h6s n SER 181 Cb 0.51 -3.47 -0.05 0.00 -1.01 0.00 0.00 64.21 60.20 3h6s n SER 181 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3h6s s LYS 182 N -4.15 3.88 0.06 1.43 1.02 -1.26 -0.64 119.74 120.09 3h6s s LYS 182 Ca 0.21 0.54 -0.09 0.00 0.02 0.00 0.00 55.97 56.65 3h6s s LYS 182 Cb -0.03 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3h6s s LYS 182 CO 0.47 0.09 0.19 1.52 -0.92 0.00 0.00 175.35 176.70 3h6s s TYR 183 N -2.14 0.10 -0.09 3.18 -0.85 -0.80 -1.72 117.35 115.04 3h6s s TYR 183 Ca 0.52 -0.43 -0.14 0.00 -0.52 0.00 0.00 57.07 56.51 3h6s s TYR 183 Cb -0.10 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.14 3h6s s TYR 183 CO 0.24 -0.49 0.34 -1.58 -1.52 0.00 0.00 175.55 172.54 3h6s s TRP 184 N -3.22 3.59 -0.30 -3.49 0.52 -0.24 -1.31 118.94 114.49 3h6s s TRP 184 Ca 0.00 0.78 -0.11 0.00 0.02 0.00 0.00 56.10 56.79 3h6s s TRP 184 Cb 0.02 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 3h6s s TRP 184 CO -0.07 0.46 0.20 -1.17 0.02 0.00 0.00 176.95 176.39 3h6s s LEU 185 N -0.34 4.15 -0.04 2.99 0.20 0.27 -1.54 118.68 124.37 3h6s s LEU 185 Ca 0.20 -0.15 0.05 0.00 0.69 0.00 0.00 54.13 54.92 3h6s s LEU 185 Cb -0.15 -2.12 -0.00 0.00 -0.43 0.00 0.00 46.19 43.49 3h6s s LEU 185 CO 0.08 -0.11 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.17 3h6s s VAL 186 N 1.74 1.49 -0.18 1.68 1.01 -0.06 -1.12 120.40 124.96 3h6s s VAL 186 Ca 0.07 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3h6s s VAL 186 Cb -0.16 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3h6s s VAL 186 CO 0.11 0.43 0.56 -0.75 0.00 0.00 0.00 175.10 175.44 3h6s s LYS 187 N -0.01 4.23 0.57 2.72 2.20 0.11 -1.18 119.74 128.38 3h6s s LYS 187 Ca -0.03 0.50 0.06 0.00 -0.36 0.00 0.00 55.97 56.14 3h6s s LYS 187 Cb -0.11 -3.55 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 3h6s s LYS 187 CO 0.02 -0.13 0.79 1.21 -0.36 0.00 0.00 175.35 176.88 3h6s s ASN 188 N 1.09 5.06 -0.31 1.43 3.84 -0.84 -2.53 114.94 122.69 3h6s s ASN 188 Ca 0.26 -0.55 0.11 0.00 0.21 0.00 0.00 52.86 52.90 3h6s s ASN 188 Cb -0.16 -0.12 0.47 0.00 -0.55 0.00 0.00 41.25 40.89 3h6s s ASN 188 CO 0.10 -1.32 1.14 -1.54 -2.79 0.00 0.00 177.10 172.70 3h6s n SER 189 N -2.31 3.83 -1.14 -4.21 3.41 -1.26 -4.59 113.62 107.35 3h6s n SER 189 Ca 0.13 -3.25 -0.01 0.00 -0.26 0.00 0.00 58.87 55.48 3h6s n SER 189 Cb 0.61 -0.41 0.22 0.00 -0.26 0.00 0.00 64.21 64.37 3h6s n SER 189 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h6s n TRP 190 N -0.60 1.17 -0.36 7.33 8.01 -1.20 -1.38 117.44 130.42 3h6s n TRP 190 Ca 0.32 -1.36 0.04 0.00 -1.31 0.00 0.00 57.50 55.19 3h6s n TRP 190 Cb 0.87 -0.46 -0.02 0.00 -2.01 0.00 0.00 31.31 29.69 3h6s n TRP 190 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h6s n GLY 191 N -0.91 -2.80 0.29 6.99 0.00 0.16 -4.30 105.19 104.62 3h6s n GLY 191 Ca 0.31 -1.35 0.16 0.00 0.00 0.00 0.00 46.02 45.14 3h6s n GLY 191 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h6s h PRO 192 N -0.35 0.00 0.00 1.61 0.13 -1.82 -2.65 132.00 128.92 3h6s h PRO 192 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3h6s h PRO 192 Cb 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 3h6s h PRO 192 CO 0.02 0.04 -0.04 0.93 -0.23 0.00 0.00 178.00 178.72 3h6s h GLU 193 N 0.00 0.00 -7.17 0.86 3.07 -1.87 -2.33 114.58 107.14 3h6s h GLU 193 Ca -0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 3h6s h GLU 193 Cb 0.15 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3h6s h GLU 193 CO 0.01 0.04 0.36 -0.46 -1.40 0.00 0.00 179.01 177.56 3h6s s TRP 194 N -3.42 3.46 0.00 4.33 -0.00 -1.00 -4.83 118.94 117.49 3h6s s TRP 194 Ca 0.04 1.42 0.00 0.00 -0.00 0.00 0.00 56.10 57.56 3h6s s TRP 194 Cb 0.07 -2.76 0.00 0.00 -0.00 0.00 0.00 33.47 30.78 3h6s s TRP 194 CO 0.62 -0.37 0.00 0.41 -0.00 0.00 0.00 176.95 177.62 3h6s n GLY 195 N -1.62 2.55 3.28 5.86 0.00 -1.19 0.87 105.19 114.94 3h6s n GLY 195 Ca 0.06 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 3h6s n GLY 195 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h6s s SER 196 N -4.00 6.33 -1.15 1.61 0.15 -0.47 -4.47 113.70 111.70 3h6s s SER 196 Ca 0.00 -2.46 -0.03 0.00 0.70 0.00 0.00 55.95 54.17 3h6s s SER 196 Cb 0.00 -2.14 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 3h6s s SER 196 CO 0.00 -0.61 0.16 0.59 1.20 0.00 0.00 173.24 174.58 3h6s n ASN 197 N 4.25 -4.02 0.00 5.45 4.13 -1.23 -0.75 115.26 123.09 3h6s n ASN 197 Ca 0.05 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.33 3h6s n ASN 197 Cb 0.44 -3.38 0.00 0.00 -1.54 0.00 0.00 39.78 35.30 3h6s n ASN 197 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h6s n GLY 198 N -0.95 0.43 3.50 7.41 0.00 0.25 -4.57 105.19 111.27 3h6s n GLY 198 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3h6s n GLY 198 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h6s s TYR 199 N -2.03 2.50 0.00 1.61 1.51 0.07 -1.98 117.35 119.03 3h6s s TYR 199 Ca 0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3h6s s TYR 199 Cb 0.00 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 3h6s s TYR 199 CO 0.00 0.47 -0.07 0.54 -1.11 0.00 0.00 175.55 175.38 3h6s s VAL 200 N -1.53 0.55 -0.20 0.71 0.11 -0.32 -1.37 120.40 118.34 3h6s s VAL 200 Ca 0.22 -0.44 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 3h6s s VAL 200 Cb -0.09 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.22 3h6s s VAL 200 CO 0.12 0.06 0.12 -0.54 -3.33 0.00 0.00 175.10 171.52 3h6s s LYS 201 N -0.42 4.10 -0.08 1.54 1.02 -1.26 -0.88 119.74 123.77 3h6s s LYS 201 Ca 0.01 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 55.76 3h6s s LYS 201 Cb -0.04 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 3h6s s LYS 201 CO -0.00 0.24 -0.16 0.42 -0.92 0.00 0.00 175.35 174.92 3h6s s ILE 202 N 0.52 2.83 -0.04 2.17 1.01 -0.59 0.25 121.20 127.35 3h6s s ILE 202 Ca 0.07 -0.78 -0.40 0.00 0.00 0.00 0.00 60.65 59.54 3h6s s ILE 202 Cb -0.12 -2.12 -0.20 0.00 0.01 0.00 0.00 42.46 40.03 3h6s s ILE 202 CO -0.00 0.56 1.14 0.00 0.00 0.00 0.00 174.94 176.64 3h6s n ALA 203 N 2.90 -3.22 -2.59 9.38 0.00 -0.58 -1.08 120.51 125.33 3h6s n ALA 203 Ca -0.18 0.58 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 3h6s n ALA 203 Cb 0.52 -1.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 3h6s n ALA 203 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h6s s LYS 204 N 0.33 2.53 -1.47 0.00 2.20 -0.70 -4.51 119.74 118.12 3h6s s LYS 204 Ca 0.92 -0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 55.69 3h6s s LYS 204 Cb -1.26 -2.49 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3h6s s LYS 204 CO 0.58 0.60 0.85 -0.25 -0.36 0.00 0.00 175.35 176.78 3h6s n ASP 205 N 1.56 -5.10 -2.90 1.43 10.43 -1.26 -4.52 116.55 116.18 3h6s n ASP 205 Ca -0.15 -0.58 -0.28 0.00 2.57 0.00 0.00 54.79 56.34 3h6s n ASP 205 Cb 0.52 -4.09 -0.03 0.00 1.84 0.00 0.00 41.12 39.37 3h6s n ASP 205 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3h6s n LYS 206 N -4.44 3.44 -3.36 -1.24 5.02 -1.26 -4.91 118.16 111.41 3h6s n LYS 206 Ca 0.00 -4.76 -0.16 0.00 -2.02 0.00 0.00 58.31 51.37 3h6s n LYS 206 Cb 0.55 -2.26 0.08 0.00 -0.02 0.00 0.00 35.03 33.38 3h6s n LYS 206 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h6s n ASN 207 N -0.29 -3.90 -3.69 4.39 5.15 -1.26 -3.55 115.26 112.11 3h6s n ASN 207 Ca 0.34 -0.66 -0.28 0.00 -0.60 0.00 0.00 54.58 53.38 3h6s n ASN 207 Cb 0.43 -5.15 0.04 0.00 -0.53 0.00 0.00 39.78 34.57 3h6s n ASN 207 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3h6s n ASN 208 N -3.17 -4.23 -4.72 1.20 5.15 -1.26 -4.83 115.26 103.39 3h6s n ASN 208 Ca -0.20 -0.97 -0.42 0.00 -0.60 0.00 0.00 54.58 52.39 3h6s n ASN 208 Cb 0.65 -3.54 -0.03 0.00 -0.53 0.00 0.00 39.78 36.33 3h6s n ASN 208 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3h6s s HIS 209 N -3.55 2.89 -0.34 1.20 5.65 -1.23 -1.51 115.29 118.39 3h6s s HIS 209 Ca 0.35 0.37 0.00 0.00 0.25 0.00 0.00 55.06 56.03 3h6s s HIS 209 Cb -0.12 -4.14 0.00 0.00 -1.18 0.00 0.00 32.58 27.14 3h6s s HIS 209 CO 0.85 -4.30 0.00 0.00 -0.65 0.00 0.00 174.74 170.64 3h6s n GLY 211 N 0.69 0.64 0.37 0.00 0.00 -0.57 -0.47 105.19 105.85 3h6s n GLY 211 Ca -0.03 -0.80 0.19 0.00 0.00 0.00 0.00 46.02 45.38 3h6s n GLY 211 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3h6s h ILE 212 N 0.00 0.65 -0.37 -0.61 -0.00 -1.66 0.13 117.51 115.65 3h6s h ILE 212 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.75 3h6s h ILE 212 Cb 0.49 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.06 3h6s h ILE 212 CO 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 178.15 178.30 3h6s n ALA 213 N -2.55 2.39 0.18 0.16 0.00 -1.26 -4.50 120.51 114.92 3h6s n ALA 213 Ca 0.08 -1.00 0.06 0.00 0.00 0.00 0.00 53.44 52.58 3h6s n ALA 213 Cb 0.55 -0.76 0.12 0.00 0.00 0.00 0.00 19.45 19.36 3h6s n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h6s h THR 214 N 3.88 0.55 -0.51 0.00 1.03 -1.25 0.18 112.91 116.79 3h6s h THR 214 Ca 0.00 -1.70 -0.29 0.00 -0.01 0.00 0.00 66.41 64.41 3h6s h THR 214 Cb 0.90 2.21 -0.24 0.00 -1.07 0.00 0.00 68.15 69.95 3h6s h THR 214 CO 0.00 0.30 -0.69 0.00 -0.01 0.00 0.00 175.52 175.12 3h6s n ALA 215 N -2.18 1.44 -2.32 0.00 0.00 -1.26 -4.16 120.51 112.03 3h6s n ALA 215 Ca 0.02 -2.06 -0.34 0.00 0.00 0.00 0.00 53.44 51.07 3h6s n ALA 215 Cb 0.63 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 3h6s n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h6s s ALA 216 N -0.95 3.52 0.22 0.00 0.00 -1.26 -3.91 121.76 119.38 3h6s s ALA 216 Ca 0.26 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 3h6s s ALA 216 Cb 0.38 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.97 3h6s s ALA 216 CO -0.05 0.44 0.58 -1.54 0.00 0.00 0.00 175.76 175.19 3h6s s SER 217 N -1.96 -0.28 -0.06 0.00 1.04 0.05 -1.05 113.70 111.43 3h6s s SER 217 Ca 0.43 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 56.23 3h6s s SER 217 Cb -0.13 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3h6s s SER 217 CO 0.20 -1.13 0.32 -0.72 0.98 0.00 0.00 173.24 172.88 3h6s s TYR 218 N -3.89 -0.26 0.49 5.02 -0.85 -0.16 -1.50 117.35 116.21 3h6s s TYR 218 Ca 0.10 0.54 -0.19 0.00 -0.52 0.00 0.00 57.07 56.99 3h6s s TYR 218 Cb -0.02 0.11 -0.08 0.00 0.38 0.00 0.00 41.96 42.34 3h6s s TYR 218 CO -0.00 -0.30 1.01 -1.25 -1.52 0.00 0.00 175.55 173.49 3h6s s PRO 219 N -0.67 3.88 -0.29 -3.49 0.04 -1.26 -0.57 135.00 132.65 3h6s s PRO 219 Ca -0.08 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 3h6s s PRO 219 Cb -0.04 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3h6s s PRO 219 CO 0.03 -0.34 0.25 -0.80 0.04 0.00 0.00 177.00 176.17 3h6s s ASN 220 N -2.31 6.09 0.00 6.66 0.01 -0.39 -4.82 114.94 120.19 3h6s s ASN 220 Ca 0.64 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.85 3h6s s ASN 220 Cb -0.13 -2.15 0.04 0.00 0.41 0.00 0.00 41.25 39.42 3h6s s ASN 220 CO 0.22 -0.11 0.64 1.33 -1.51 0.00 0.00 177.10 177.67