#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlm s SER 31 N 0.00 -0.55 0.53 4.04 0.15 -1.26 -5.06 113.70 111.55 3hlm s SER 31 Ca 0.00 0.78 0.24 0.00 0.70 0.00 0.00 55.95 57.66 3hlm s SER 31 Cb 0.00 0.68 1.47 0.00 -1.71 0.00 0.00 66.02 66.47 3hlm s SER 31 CO 0.00 -0.39 2.14 -0.50 1.20 0.00 0.00 173.24 175.69 3hlm h TRP 32 N 3.41 0.00 0.00 3.44 4.06 -2.07 -3.30 115.95 121.49 3hlm h TRP 32 Ca -0.25 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.68 3hlm h TRP 32 Cb 1.16 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.27 3hlm h TRP 32 CO 0.35 0.06 -0.37 0.91 -3.56 0.00 0.00 178.44 175.83 3hlm n TRP 33 N -4.02 0.00 -0.00 0.49 5.03 -1.26 -4.73 117.44 112.95 3hlm n TRP 33 Ca -0.03 -0.70 0.23 0.00 3.03 0.00 0.00 57.50 60.03 3hlm n TRP 33 Cb 0.15 -0.13 0.72 0.00 -1.03 0.00 0.00 31.31 31.02 3hlm n TRP 33 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3hlm h THR 34 N 3.24 0.44 -0.19 -0.99 2.02 -2.00 -2.65 112.91 112.79 3hlm h THR 34 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hlm h THR 34 Cb 1.24 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3hlm h THR 34 CO 0.01 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.31 3hlm n HIS 35 N -3.90 0.25 -2.08 3.16 8.25 -1.26 -4.88 115.22 114.75 3hlm n HIS 35 Ca 0.11 -0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 3hlm n HIS 35 Cb 0.75 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.82 3hlm n HIS 35 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hlm s VAL 36 N -1.07 3.71 0.50 1.59 1.01 -1.00 -5.01 120.40 120.13 3hlm s VAL 36 Ca 0.21 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 62.99 3hlm s VAL 36 Cb 0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3hlm s VAL 36 CO 0.18 -0.09 0.82 -1.61 0.00 0.00 0.00 175.10 174.39 3hlm s GLU 37 N 3.99 3.46 0.25 2.72 2.02 -1.26 -5.05 118.70 124.82 3hlm s GLU 37 Ca 0.70 0.21 -0.30 0.00 0.02 0.00 0.00 54.97 55.60 3hlm s GLU 37 Cb -0.31 -2.34 -0.10 0.00 0.10 0.00 0.00 34.13 31.48 3hlm s GLU 37 CO 0.27 -0.29 1.33 1.41 0.02 0.00 0.00 175.26 178.00 3hlm s MET 38 N -4.80 4.36 0.93 1.61 -2.45 -1.26 -5.04 119.30 112.65 3hlm s MET 38 Ca 0.49 2.15 -0.12 0.00 -1.25 0.00 0.00 55.69 56.96 3hlm s MET 38 Cb -0.10 -3.14 0.15 0.00 1.25 0.00 0.00 34.83 32.99 3hlm s MET 38 CO 0.45 -0.26 1.10 0.20 1.05 0.00 0.00 175.02 177.57 3hlm s GLY 39 N 0.08 1.59 0.69 2.11 0.00 -1.26 -5.00 107.32 105.53 3hlm s GLY 39 Ca 0.55 -0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.80 3hlm s GLY 39 CO 0.43 0.24 0.94 -1.05 0.00 0.00 0.00 173.10 173.67 3hlm n PRO 40 N -3.93 0.60 -2.41 2.90 -0.02 -1.26 -4.96 135.00 125.92 3hlm n PRO 40 Ca 0.06 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3hlm n PRO 40 Cb 0.57 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3hlm n PRO 40 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hlm s PRO 41 N -3.16 3.94 -0.07 0.52 0.05 -1.26 -4.98 135.00 130.04 3hlm s PRO 41 Ca 0.74 1.62 -0.30 0.00 0.05 0.00 0.00 61.00 63.11 3hlm s PRO 41 Cb -0.36 -2.44 -0.02 0.00 0.05 0.00 0.00 34.50 31.73 3hlm s PRO 41 CO 0.50 -0.36 1.06 0.34 0.05 0.00 0.00 177.00 178.58 3hlm s ASP 42 N -1.50 7.21 0.03 6.66 2.15 -1.26 -4.94 116.67 125.02 3hlm s ASP 42 Ca 0.61 1.64 -0.19 0.00 0.43 0.00 0.00 52.55 55.04 3hlm s ASP 42 Cb -0.25 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.64 3hlm s ASP 42 CO 0.30 -0.46 1.24 1.55 -0.17 0.00 0.00 175.17 177.64 3hlm h PRO 43 N 7.13 0.42 0.21 4.34 0.13 -1.99 -1.38 132.00 140.85 3hlm h PRO 43 Ca -0.34 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 3hlm h PRO 43 Cb 1.16 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hlm h PRO 43 CO 0.85 0.93 -0.10 0.82 -0.23 0.00 0.00 178.00 180.27 3hlm h ILE 44 N -0.01 0.83 -0.53 -3.56 2.04 -1.97 -2.59 117.51 111.72 3hlm h ILE 44 Ca -0.01 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.74 3hlm h ILE 44 Cb 0.97 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 3hlm h ILE 44 CO 0.07 0.04 0.17 0.25 0.00 0.00 0.00 178.15 178.69 3hlm h LEU 45 N -0.37 0.15 -1.07 1.44 5.85 -1.96 -1.23 115.31 118.12 3hlm h LEU 45 Ca -0.03 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3hlm h LEU 45 Cb 0.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3hlm h LEU 45 CO 0.05 0.11 -0.39 1.23 -0.34 0.00 0.00 178.44 179.09 3hlm h GLY 46 N 0.34 0.00 0.51 3.75 0.00 -1.25 -1.73 103.07 104.70 3hlm h GLY 46 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hlm h GLY 46 CO -0.29 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.16 3hlm h VAL 47 N 0.00 1.30 -0.64 4.60 2.07 -1.05 -0.02 116.25 122.50 3hlm h VAL 47 Ca -0.00 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.49 3hlm h VAL 47 Cb 0.83 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3hlm h VAL 47 CO 0.05 0.28 0.43 0.74 0.02 0.00 0.00 177.57 179.09 3hlm h THR 48 N -0.53 0.95 0.00 2.57 2.02 -1.14 0.91 112.91 117.68 3hlm h THR 48 Ca -0.00 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3hlm h THR 48 Cb 0.49 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3hlm h THR 48 CO 0.01 0.10 -0.44 -0.33 0.37 0.00 0.00 175.52 175.22 3hlm h GLU 49 N 0.55 0.00 -0.10 6.66 5.08 -1.11 -2.68 114.58 122.99 3hlm h GLU 49 Ca 0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3hlm h GLU 49 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hlm h GLU 49 CO -0.09 0.44 -0.16 0.00 -1.00 0.00 0.00 179.01 178.20 3hlm h ALA 50 N 1.56 0.15 -0.28 3.43 0.00 0.11 -2.58 119.26 121.65 3hlm h ALA 50 Ca -0.00 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3hlm h ALA 50 Cb 0.84 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3hlm h ALA 50 CO 0.06 0.05 -0.54 0.35 0.00 0.00 0.00 179.25 179.17 3hlm h PHE 51 N -0.17 -1.63 -1.02 0.00 3.57 -1.22 0.11 116.94 116.59 3hlm h PHE 51 Ca 0.01 0.07 0.25 0.00 3.53 0.00 0.00 57.97 61.83 3hlm h PHE 51 Cb 0.73 0.75 -0.12 0.00 2.79 0.00 0.00 35.95 40.10 3hlm h PHE 51 CO 0.10 -0.50 0.62 0.87 -2.23 0.00 0.00 178.31 177.17 3hlm h LYS 52 N -0.47 0.52 0.00 1.11 1.57 -1.57 0.14 116.57 117.87 3hlm h LYS 52 Ca 0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3hlm h LYS 52 Cb 0.62 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3hlm h LYS 52 CO -0.51 0.34 -0.26 0.00 -0.57 0.00 0.00 179.45 178.45 3hlm h ARG 53 N 0.53 0.00 -7.09 3.15 -0.00 -0.45 -3.46 114.38 107.06 3hlm h ARG 53 Ca 0.64 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.59 3hlm h ARG 53 Cb 1.31 0.00 0.12 0.00 0.00 0.00 0.00 29.97 31.40 3hlm h ARG 53 CO -0.44 0.26 0.49 0.34 0.00 0.00 0.00 179.97 180.62 3hlm s ASP 54 N -6.28 5.18 0.00 7.04 2.15 0.50 -4.94 116.67 120.32 3hlm s ASP 54 Ca -0.00 2.43 0.16 0.00 0.43 0.00 0.00 52.55 55.56 3hlm s ASP 54 Cb 0.11 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 40.28 3hlm s ASP 54 CO 0.65 -1.60 1.03 1.07 -0.17 0.00 0.00 175.17 176.14 3hlm n THR 55 N -1.53 0.09 -1.01 1.71 5.66 -1.26 -4.97 114.28 112.96 3hlm n THR 55 Ca 0.13 -0.55 -0.15 0.00 -3.05 0.00 0.00 64.05 60.44 3hlm n THR 55 Cb 0.49 1.25 0.12 0.00 -1.55 0.00 0.00 70.33 70.64 3hlm n THR 55 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3hlm n ASN 56 N 0.88 -1.02 0.00 1.09 2.85 -1.26 -5.01 115.26 112.80 3hlm n ASN 56 Ca 0.10 -0.97 0.00 0.00 -0.11 0.00 0.00 54.58 53.59 3hlm n ASN 56 Cb 0.40 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.91 3hlm n ASN 56 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3hlm n SER 57 N -3.78 0.63 -0.00 1.20 3.41 -1.26 -4.75 113.62 109.07 3hlm n SER 57 Ca 0.08 -1.30 0.08 0.00 -0.26 0.00 0.00 58.87 57.47 3hlm n SER 57 Cb 0.30 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 3hlm n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hlm n LYS 58 N -0.15 1.10 -1.70 4.33 4.76 -1.26 -5.06 118.16 120.19 3hlm n LYS 58 Ca 0.00 -0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 54.95 3hlm n LYS 58 Cb 0.40 -1.32 0.01 0.00 -1.84 0.00 0.00 35.03 32.28 3hlm n LYS 58 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3hlm n LYS 59 N -1.74 1.91 -4.99 1.97 2.85 -1.26 -4.99 118.16 111.91 3hlm n LYS 59 Ca -0.00 0.68 -0.28 0.00 -1.05 0.00 0.00 58.31 57.66 3hlm n LYS 59 Cb 0.34 -2.36 -0.16 0.00 -0.65 0.00 0.00 35.03 32.20 3hlm n LYS 59 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 3hlm s MET 60 N -2.17 1.96 -0.59 -1.58 -1.94 -0.54 -5.04 119.30 109.40 3hlm s MET 60 Ca 0.61 -0.71 -0.17 0.00 -1.71 0.00 0.00 55.69 53.70 3hlm s MET 60 Cb -0.52 -1.73 0.12 0.00 2.01 0.00 0.00 34.83 34.72 3hlm s MET 60 CO 0.58 0.32 0.61 1.21 -0.01 0.00 0.00 175.02 177.74 3hlm s ASN 61 N -0.13 6.23 -0.23 3.03 3.84 -1.26 -1.75 114.94 124.67 3hlm s ASN 61 Ca -0.01 -1.70 0.15 0.00 0.21 0.00 0.00 52.86 51.51 3hlm s ASN 61 Cb -0.11 -2.25 0.71 0.00 -0.55 0.00 0.00 41.25 39.05 3hlm s ASN 61 CO 0.02 -0.96 1.64 0.18 -2.79 0.00 0.00 177.10 175.19 3hlm n LEU 62 N 5.66 5.12 -0.39 3.21 4.77 0.32 -4.35 117.00 131.33 3hlm n LEU 62 Ca -0.10 -3.01 0.09 0.00 -0.03 0.00 0.00 56.01 52.97 3hlm n LEU 62 Cb 0.42 -0.64 0.19 0.00 -2.33 0.00 0.00 43.42 41.05 3hlm n LEU 62 CO 0.55 0.67 0.62 0.61 -1.33 0.00 0.00 177.39 178.51 3hlm n GLY 63 N 0.13 4.52 3.71 -0.72 0.00 -1.24 -1.58 105.19 110.01 3hlm n GLY 63 Ca 0.27 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3hlm n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hlm s VAL 64 N -2.82 4.60 -1.67 1.61 1.01 -1.26 -4.93 120.40 116.94 3hlm s VAL 64 Ca 0.36 1.87 0.29 0.00 0.00 0.00 0.00 61.98 64.49 3hlm s VAL 64 Cb 0.30 -4.20 0.44 0.00 0.00 0.00 0.00 36.38 32.92 3hlm s VAL 64 CO 0.05 0.14 1.83 0.61 0.00 0.00 0.00 175.10 177.73 3hlm n GLY 65 N 3.02 -0.90 3.03 4.51 0.00 -1.26 -4.77 105.19 108.82 3hlm n GLY 65 Ca 0.07 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 3hlm n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hlm s ALA 66 N -2.47 0.75 0.13 4.61 0.00 -1.26 -5.14 121.76 118.38 3hlm s ALA 66 Ca 0.29 -0.45 -0.33 0.00 0.00 0.00 0.00 51.96 51.46 3hlm s ALA 66 Cb 0.20 -0.16 -0.18 0.00 0.00 0.00 0.00 23.12 22.98 3hlm s ALA 66 CO 0.48 0.16 0.89 0.98 0.00 0.00 0.00 175.76 178.27 3hlm n TYR 67 N 2.65 0.41 -4.35 0.00 9.36 -1.26 -4.91 117.16 119.05 3hlm n TYR 67 Ca -0.15 0.92 -0.18 0.00 3.32 0.00 0.00 57.90 61.81 3hlm n TYR 67 Cb 0.57 -2.10 -0.10 0.00 -0.63 0.00 0.00 39.34 37.08 3hlm n TYR 67 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3hlm s ARG 68 N -0.52 1.36 0.74 2.98 1.81 -1.26 -4.33 118.95 119.72 3hlm s ARG 68 Ca 0.75 -1.66 -0.02 0.00 -1.72 0.00 0.00 55.73 53.08 3hlm s ARG 68 Cb -1.02 -0.87 0.13 0.00 -0.45 0.00 0.00 34.95 32.75 3hlm s ARG 68 CO 0.56 0.02 1.02 0.16 -0.68 0.00 0.00 175.30 176.37 3hlm s ASP 69 N -3.33 4.26 0.00 0.23 1.47 -0.52 -4.83 116.67 113.95 3hlm s ASP 69 Ca 0.26 -0.31 0.07 0.00 1.18 0.00 0.00 52.55 53.75 3hlm s ASP 69 Cb 0.04 -0.05 0.41 0.00 -0.34 0.00 0.00 42.92 42.97 3hlm s ASP 69 CO 0.08 -1.92 0.85 -0.67 0.68 0.00 0.00 175.17 174.18 3hlm n ASP 70 N -2.90 0.00 -0.65 2.11 2.03 -1.26 0.17 116.55 116.05 3hlm n ASP 70 Ca 0.15 -0.25 0.07 0.00 0.52 0.00 0.00 54.79 55.28 3hlm n ASP 70 Cb 0.60 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.10 3hlm n ASP 70 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hlm n ASN 71 N -0.96 2.44 -2.33 1.67 5.03 -1.26 -4.44 115.26 115.42 3hlm n ASN 71 Ca 0.05 -1.70 -0.15 0.00 0.87 0.00 0.00 54.58 53.65 3hlm n ASN 71 Cb 0.02 -0.06 0.04 0.00 -1.02 0.00 0.00 39.78 38.76 3hlm n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hlm n GLY 72 N 0.84 -0.07 3.91 7.41 0.00 0.46 -5.02 105.19 112.71 3hlm n GLY 72 Ca 0.10 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3hlm n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlm s LYS 73 N -5.62 3.32 0.38 1.61 -0.14 -1.25 -4.77 119.74 113.27 3hlm s LYS 73 Ca 0.30 -0.63 -0.27 0.00 -1.36 0.00 0.00 55.97 54.01 3hlm s LYS 73 Cb -0.13 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.01 3hlm s LYS 73 CO 0.38 0.53 1.36 -2.14 -0.76 0.00 0.00 175.35 174.71 3hlm s PRO 74 N -3.09 4.09 -0.35 -1.68 0.02 -1.26 -1.44 135.00 131.30 3hlm s PRO 74 Ca 0.34 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.68 3hlm s PRO 74 Cb -0.11 -2.89 0.10 0.00 0.02 0.00 0.00 34.50 31.62 3hlm s PRO 74 CO 0.27 -0.44 0.10 -0.47 -0.33 0.00 0.00 177.00 176.13 3hlm s TYR 75 N -1.18 2.66 -0.46 6.54 5.04 -1.26 -4.87 117.35 123.82 3hlm s TYR 75 Ca 0.54 -2.40 -0.29 0.00 -2.44 0.00 0.00 57.07 52.47 3hlm s TYR 75 Cb -0.41 -2.29 0.03 0.00 0.35 0.00 0.00 41.96 39.63 3hlm s TYR 75 CO 0.54 -0.89 1.19 0.08 -1.34 0.00 0.00 175.55 175.13 3hlm s VAL 76 N 1.10 4.16 0.43 3.14 1.01 -1.26 -4.82 120.40 124.16 3hlm s VAL 76 Ca 0.11 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 3hlm s VAL 76 Cb -0.19 -4.53 -0.12 0.00 0.00 0.00 0.00 36.38 31.54 3hlm s VAL 76 CO -0.14 -0.95 0.65 0.18 0.00 0.00 0.00 175.10 174.83 3hlm n LEU 77 N 7.98 0.62 0.08 3.92 4.32 -1.26 -4.88 117.00 127.79 3hlm n LEU 77 Ca 0.13 0.92 -0.04 0.00 -0.02 0.00 0.00 56.01 57.00 3hlm n LEU 77 Cb 0.49 -1.17 -0.06 0.00 -1.62 0.00 0.00 43.42 41.06 3hlm n LEU 77 CO 0.71 -2.60 0.25 -0.65 -1.22 0.00 0.00 177.39 173.88 3hlm h PRO 78 N 0.90 0.00 -0.69 3.23 0.11 -1.99 -2.73 132.00 130.83 3hlm h PRO 78 Ca -0.41 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.84 3hlm h PRO 78 Cb 1.39 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.37 3hlm h PRO 78 CO 0.52 0.85 -0.04 0.66 -0.21 0.00 0.00 178.00 179.79 3hlm h SER 79 N 0.00 -0.39 0.44 -2.05 4.64 -1.93 0.56 113.55 114.82 3hlm h SER 79 Ca -0.01 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3hlm h SER 79 Cb 1.63 0.34 -0.02 0.00 -0.31 0.00 0.00 62.40 64.04 3hlm h SER 79 CO 0.11 -0.17 -0.40 0.58 -0.87 0.00 0.00 176.83 176.08 3hlm h VAL 80 N 0.08 0.19 -0.95 0.95 2.07 -1.92 0.22 116.25 116.89 3hlm h VAL 80 Ca 0.36 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.06 3hlm h VAL 80 Cb 0.61 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 3hlm h VAL 80 CO -0.63 0.00 0.60 0.03 0.02 0.00 0.00 177.57 177.60 3hlm h ARG 81 N -0.85 0.64 0.13 1.57 2.47 -0.98 0.46 114.38 117.82 3hlm h ARG 81 Ca -0.04 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3hlm h ARG 81 Cb 0.75 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3hlm h ARG 81 CO -0.04 0.42 -0.06 -0.22 0.56 0.00 0.00 179.97 180.63 3hlm h LYS 82 N 0.66 -0.17 -0.73 0.04 3.64 0.55 -2.39 116.57 118.17 3hlm h LYS 82 Ca 0.51 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 60.03 3hlm h LYS 82 Cb 0.91 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.64 3hlm h LYS 82 CO -0.27 -0.11 -0.22 0.00 -2.27 0.00 0.00 179.45 176.58 3hlm n ALA 83 N -2.11 0.07 -0.23 5.00 0.00 0.03 -0.27 120.51 123.00 3hlm n ALA 83 Ca -0.02 0.77 0.05 0.00 0.00 0.00 0.00 53.44 54.24 3hlm n ALA 83 Cb 0.07 -0.42 0.30 0.00 0.00 0.00 0.00 19.45 19.41 3hlm n ALA 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hlm h GLU 84 N 0.00 0.85 0.23 0.00 5.08 -0.01 -0.50 114.58 120.23 3hlm h GLU 84 Ca 0.31 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.31 3hlm h GLU 84 Cb 0.49 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 29.58 3hlm h GLU 84 CO -0.74 0.56 -1.37 0.00 -1.00 0.00 0.00 179.01 176.46 3hlm h ALA 85 N 1.57 -0.12 -0.80 3.43 0.00 -0.09 -2.66 119.26 120.58 3hlm h ALA 85 Ca 0.34 -0.85 0.14 0.00 0.00 0.00 0.00 54.91 54.54 3hlm h ALA 85 Cb 0.21 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 3hlm h ALA 85 CO -0.12 0.65 -0.30 1.96 0.00 0.00 0.00 179.25 181.44 3hlm h GLN 86 N 0.03 -0.05 -0.44 0.00 4.20 -0.75 0.10 115.11 118.19 3hlm h GLN 86 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3hlm h GLN 86 Cb 2.06 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.83 3hlm h GLN 86 CO 0.24 -0.04 0.28 0.82 -0.67 0.00 0.00 178.83 179.47 3hlm h ILE 87 N -0.06 1.13 -0.05 2.54 2.04 -1.15 -1.91 117.51 120.04 3hlm h ILE 87 Ca 0.33 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 3hlm h ILE 87 Cb 0.59 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3hlm h ILE 87 CO -0.84 0.12 -0.57 0.00 0.00 0.00 0.00 178.15 176.87 3hlm h ALA 88 N 1.15 0.94 -0.56 1.87 0.00 -1.07 -2.07 119.26 119.52 3hlm h ALA 88 Ca 0.16 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.63 3hlm h ALA 88 Cb -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 3hlm h ALA 88 CO -0.03 0.71 -0.46 0.00 0.00 0.00 0.00 179.25 179.47 3hlm h ALA 89 N 1.29 -0.40 0.00 0.00 0.00 -0.02 -1.83 119.26 118.30 3hlm h ALA 89 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hlm h ALA 89 Cb 1.04 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3hlm h ALA 89 CO 0.08 -0.87 0.00 0.87 0.00 0.00 0.00 179.25 179.34 3hlm h LYS 90 N -0.25 0.00 -0.56 0.00 1.57 -1.01 -3.46 116.57 112.87 3hlm h LYS 90 Ca 0.16 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 3hlm h LYS 90 Cb 0.56 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 3hlm h LYS 90 CO -0.68 0.00 -0.22 -1.71 -0.57 0.00 0.00 179.45 176.27 3hlm n ASN 91 N -2.72 -4.69 -4.33 0.86 4.05 -0.69 -4.92 115.26 102.82 3hlm n ASN 91 Ca -0.01 0.29 -0.33 0.00 0.45 0.00 0.00 54.58 54.97 3hlm n ASN 91 Cb 0.11 -3.22 0.12 0.00 1.23 0.00 0.00 39.78 38.03 3hlm n ASN 91 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3hlm n LEU 92 N -1.33 -1.38 0.00 1.20 4.77 -1.26 -5.02 117.00 113.98 3hlm n LEU 92 Ca -0.12 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 3hlm n LEU 92 Cb 0.43 -1.08 0.04 0.00 -2.33 0.00 0.00 43.42 40.48 3hlm n LEU 92 CO 0.18 -3.74 0.21 -0.90 -1.33 0.00 0.00 177.39 171.81 3hlm n ASP 93 N -0.75 0.61 -1.49 -1.43 5.68 -1.26 -5.06 116.55 112.85 3hlm n ASP 93 Ca 0.04 -1.49 -0.12 0.00 -0.50 0.00 0.00 54.79 52.71 3hlm n ASP 93 Cb 0.56 -0.25 0.09 0.00 -1.14 0.00 0.00 41.12 40.39 3hlm n ASP 93 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hlm n LYS 94 N -1.71 2.83 -2.42 0.11 5.02 -1.26 -5.06 118.16 115.68 3hlm n LYS 94 Ca 0.07 -3.83 -0.31 0.00 -2.02 0.00 0.00 58.31 52.22 3hlm n LYS 94 Cb 0.24 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 3hlm n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hlm s GLU 95 N -3.45 3.75 0.43 1.97 0.41 -1.26 -5.00 118.70 115.55 3hlm s GLU 95 Ca 0.46 0.66 -0.24 0.00 -0.41 0.00 0.00 54.97 55.44 3hlm s GLU 95 Cb 0.39 -2.22 -0.10 0.00 -1.78 0.00 0.00 34.13 30.42 3hlm s GLU 95 CO -0.00 -0.28 1.06 0.66 -0.49 0.00 0.00 175.26 176.21 3hlm n TYR 96 N -1.91 1.36 -2.23 1.61 4.01 -1.26 -5.01 117.16 113.73 3hlm n TYR 96 Ca 0.04 0.54 -0.28 0.00 -0.16 0.00 0.00 57.90 58.04 3hlm n TYR 96 Cb 0.54 -2.26 0.02 0.00 -0.31 0.00 0.00 39.34 37.34 3hlm n TYR 96 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hlm s LEU 97 N -0.88 3.25 0.95 7.72 1.43 -1.26 -5.06 118.68 124.83 3hlm s LEU 97 Ca 0.64 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 3hlm s LEU 97 Cb -0.54 -3.89 0.08 0.00 0.03 0.00 0.00 46.19 41.87 3hlm s LEU 97 CO 0.56 -0.97 0.62 -2.65 0.23 0.00 0.00 176.35 174.14 3hlm n PRO 98 N -2.64 -0.45 -0.28 1.29 -0.02 -1.26 -4.78 135.00 126.87 3hlm n PRO 98 Ca 0.04 -0.08 0.09 0.00 -2.02 0.00 0.00 63.50 61.53 3hlm n PRO 98 Cb 0.56 -2.01 0.23 0.00 -0.02 0.00 0.00 33.50 32.27 3hlm n PRO 98 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3hlm h ILE 99 N -1.71 0.56 0.00 4.25 2.04 -1.98 0.14 117.51 120.81 3hlm h ILE 99 Ca -0.44 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hlm h ILE 99 Cb 1.28 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3hlm h ILE 99 CO 0.37 0.07 0.00 0.61 0.00 0.00 0.00 178.15 179.20 3hlm n GLY 100 N -1.34 -1.07 6.42 5.37 0.00 -1.26 -4.33 105.19 108.98 3hlm n GLY 100 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hlm n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hlm n GLY 101 N 0.95 -0.80 3.67 -0.02 0.00 0.50 -0.89 105.19 108.61 3hlm n GLY 101 Ca 0.17 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 3hlm n GLY 101 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hlm s LEU 102 N 0.00 4.17 0.19 0.99 2.96 -1.26 -4.26 118.68 121.47 3hlm s LEU 102 Ca 0.00 1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.94 3hlm s LEU 102 Cb 0.00 -3.20 0.12 0.00 0.50 0.00 0.00 46.19 43.61 3hlm s LEU 102 CO 0.00 -0.39 1.84 0.00 -1.32 0.00 0.00 176.35 176.48 3hlm h ALA 103 N 7.34 0.87 -0.44 5.97 0.00 -1.99 -0.27 119.26 130.74 3hlm h ALA 103 Ca -0.30 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3hlm h ALA 103 Cb 1.13 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3hlm h ALA 103 CO 0.83 0.33 0.21 1.05 0.00 0.00 0.00 179.25 181.68 3hlm h GLU 104 N 0.93 0.41 -0.52 0.00 4.11 -2.00 -1.55 114.58 115.96 3hlm h GLU 104 Ca 0.24 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.56 3hlm h GLU 104 Cb -0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3hlm h GLU 104 CO -0.05 0.27 -0.05 0.35 0.07 0.00 0.00 179.01 179.60 3hlm h PHE 105 N 0.42 1.00 -0.25 2.06 3.57 -1.77 -1.74 116.94 120.22 3hlm h PHE 105 Ca 0.19 -0.17 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 3hlm h PHE 105 Cb 0.11 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3hlm h PHE 105 CO -0.11 0.92 -0.49 0.00 -2.23 0.00 0.00 178.31 176.41 3hlm h LYS 107 N 0.52 0.02 -0.20 0.00 3.64 -1.31 -1.93 116.57 117.31 3hlm h LYS 107 Ca 0.01 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3hlm h LYS 107 Cb 1.09 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 3hlm h LYS 107 CO 0.11 0.12 -0.13 0.00 -2.27 0.00 0.00 179.45 177.28 3hlm h ALA 108 N 0.90 0.03 -0.84 5.00 0.00 -1.24 -1.52 119.26 121.59 3hlm h ALA 108 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3hlm h ALA 108 Cb 0.11 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hlm h ALA 108 CO -0.00 -0.55 0.54 1.03 0.00 0.00 0.00 179.25 180.27 3hlm h SER 109 N -0.12 0.80 0.15 0.00 0.87 -0.95 0.42 113.55 114.71 3hlm h SER 109 Ca 0.12 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 3hlm h SER 109 Cb 0.29 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3hlm h SER 109 CO -0.28 0.51 -0.51 0.00 -0.53 0.00 0.00 176.83 176.03 3hlm h ALA 110 N 1.55 0.85 0.50 6.23 0.00 -0.91 -0.51 119.26 126.97 3hlm h ALA 110 Ca 0.36 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hlm h ALA 110 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hlm h ALA 110 CO -0.13 0.67 -0.24 0.93 0.00 0.00 0.00 179.25 180.48 3hlm h GLU 111 N 0.32 -0.65 -0.69 0.00 5.08 -0.24 -1.13 114.58 117.27 3hlm h GLU 111 Ca 0.01 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.56 3hlm h GLU 111 Cb 1.01 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 3hlm h GLU 111 CO 0.09 -0.37 0.13 1.25 -1.00 0.00 0.00 179.01 179.12 3hlm h LEU 112 N -0.85 -0.05 -0.92 1.33 5.85 -0.13 0.29 115.31 120.83 3hlm h LEU 112 Ca -0.07 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3hlm h LEU 112 Cb 0.59 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3hlm h LEU 112 CO 0.11 -0.04 -0.16 0.00 -0.34 0.00 0.00 178.44 178.01 3hlm h ALA 113 N 1.58 1.09 0.00 1.25 0.00 -0.94 -3.38 119.26 118.86 3hlm h ALA 113 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hlm h ALA 113 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hlm h ALA 113 CO -0.50 0.56 -0.25 1.28 0.00 0.00 0.00 179.25 180.35 3hlm n LEU 114 N -4.16 0.00 0.00 0.00 4.77 -0.44 -4.87 117.00 112.30 3hlm n LEU 114 Ca 0.01 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3hlm n LEU 114 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hlm n LEU 114 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3hlm n GLY 115 N 1.25 1.31 0.49 -0.72 0.00 0.92 -4.34 105.19 104.10 3hlm n GLY 115 Ca 0.00 -1.14 0.30 0.00 0.00 0.00 0.00 46.02 45.19 3hlm n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hlm n GLU 116 N 2.79 0.01 -0.21 1.61 2.13 -1.24 0.62 120.64 126.34 3hlm n GLU 116 Ca 0.00 0.85 0.06 0.00 0.66 0.00 0.00 57.16 58.73 3hlm n GLU 116 Cb 0.00 -2.05 0.17 0.00 0.27 0.00 0.00 31.44 29.82 3hlm n GLU 116 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hlm n ASN 117 N -3.12 3.05 -4.62 4.31 3.02 -1.26 -4.89 115.26 111.75 3hlm n ASN 117 Ca 0.25 -2.16 -0.46 0.00 -0.03 0.00 0.00 54.58 52.19 3hlm n ASN 117 Cb 1.39 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 40.27 3hlm n ASN 117 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hlm n ASN 118 N 0.33 1.81 -0.24 6.41 2.85 0.20 -4.82 115.26 121.81 3hlm n ASN 118 Ca 0.13 1.16 0.22 0.00 -0.11 0.00 0.00 54.58 55.98 3hlm n ASN 118 Cb 0.49 -1.32 0.56 0.00 1.24 0.00 0.00 39.78 40.76 3hlm n ASN 118 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3hlm h GLU 119 N 3.05 0.29 -0.21 1.20 4.22 -1.92 -1.73 114.58 119.48 3hlm h GLU 119 Ca -0.43 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 58.94 3hlm h GLU 119 Cb 1.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3hlm h GLU 119 CO 0.68 0.19 -0.10 0.28 -2.18 0.00 0.00 179.01 177.88 3hlm h VAL 120 N 0.30 1.31 -0.61 0.32 2.07 -1.93 -1.47 116.25 116.23 3hlm h VAL 120 Ca 0.47 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3hlm h VAL 120 Cb 1.34 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3hlm h VAL 120 CO -0.15 0.35 0.20 -0.07 0.02 0.00 0.00 177.57 177.93 3hlm h LEU 121 N 0.14 0.89 -0.33 2.57 3.38 -1.77 -1.35 115.31 118.85 3hlm h LEU 121 Ca 0.05 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 3hlm h LEU 121 Cb 0.59 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hlm h LEU 121 CO 0.03 0.86 -0.45 0.11 0.09 0.00 0.00 178.44 179.08 3hlm h LYS 122 N 0.87 0.88 0.00 1.13 1.57 -1.24 -3.00 116.57 116.78 3hlm h LYS 122 Ca 0.20 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3hlm h LYS 122 Cb 0.28 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hlm h LYS 122 CO -0.01 1.15 -0.02 0.66 -0.57 0.00 0.00 179.45 180.67 3hlm h SER 123 N 0.67 0.00 0.00 0.86 4.64 -1.24 -3.47 113.55 115.00 3hlm h SER 123 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hlm h SER 123 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3hlm h SER 123 CO 0.10 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3hlm n GLY 124 N 0.67 0.59 2.66 -0.77 0.00 -0.58 -4.63 105.19 103.12 3hlm n GLY 124 Ca 0.03 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3hlm n GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hlm n ARG 125 N -1.74 5.28 -3.67 1.61 1.85 -0.80 -4.14 116.66 115.05 3hlm n ARG 125 Ca 0.00 -4.58 -0.07 0.00 -1.00 0.00 0.00 57.85 52.19 3hlm n ARG 125 Cb 0.24 -2.46 -0.02 0.00 -1.05 0.00 0.00 32.46 29.18 3hlm n ARG 125 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3hlm s PHE 126 N -4.29 -0.27 -0.02 2.89 -0.71 -1.26 -1.75 117.98 112.57 3hlm s PHE 126 Ca 0.40 -0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 56.24 3hlm s PHE 126 Cb 0.21 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.65 3hlm s PHE 126 CO -0.15 -0.91 0.05 0.54 -1.34 0.00 0.00 175.22 173.41 3hlm s VAL 127 N -3.55 0.01 -0.02 -2.49 0.11 -0.48 -4.84 120.40 109.14 3hlm s VAL 127 Ca 0.08 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 3hlm s VAL 127 Cb -0.03 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 3hlm s VAL 127 CO -0.01 -0.04 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.72 3hlm s THR 128 N -0.10 0.84 0.01 5.04 2.01 -1.25 -0.65 115.64 121.54 3hlm s THR 128 Ca -0.01 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.58 3hlm s THR 128 Cb -0.01 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 3hlm s THR 128 CO 0.00 0.25 -0.07 0.68 -0.69 0.00 0.00 174.62 174.79 3hlm s VAL 129 N -0.04 0.53 0.41 3.82 -7.23 0.21 -4.93 120.40 113.15 3hlm s VAL 129 Ca 0.01 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.44 3hlm s VAL 129 Cb -0.06 -0.49 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 3hlm s VAL 129 CO 0.00 -0.00 1.03 -1.58 -0.31 0.00 0.00 175.10 174.24 3hlm s GLN 130 N -0.56 4.16 0.14 4.82 0.74 -0.06 0.07 119.66 128.97 3hlm s GLN 130 Ca -0.01 1.44 -0.03 0.00 0.05 0.00 0.00 55.36 56.81 3hlm s GLN 130 Cb -0.05 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 3hlm s GLN 130 CO 0.00 -0.13 0.13 0.95 -0.55 0.00 0.00 175.29 175.68 3hlm s THR 131 N -1.75 0.09 -1.08 -0.34 -4.23 -0.52 -4.70 115.64 103.11 3hlm s THR 131 Ca 0.59 -1.75 -0.22 0.00 -1.18 0.00 0.00 61.69 59.12 3hlm s THR 131 Cb -0.20 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.66 3hlm s THR 131 CO 0.25 -0.41 1.72 -0.63 -0.54 0.00 0.00 174.62 175.01 3hlm s ILE 132 N -4.02 3.79 0.00 2.99 1.01 -1.26 -2.23 121.20 121.47 3hlm s ILE 132 Ca 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3hlm s ILE 132 Cb 0.06 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.78 3hlm s ILE 132 CO 0.01 -1.55 0.00 -0.24 0.00 0.00 0.00 174.94 173.16 3hlm n SER 133 N 10.97 -1.64 -0.04 3.58 2.88 -1.17 -1.72 113.62 126.48 3hlm n SER 133 Ca 0.40 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.79 3hlm n SER 133 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 3hlm n SER 133 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3hlm h GLY 134 N 0.00 0.74 0.98 0.46 0.00 -1.80 -2.77 103.07 100.68 3hlm h GLY 134 Ca 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 3hlm h GLY 134 CO 0.00 0.87 0.17 -0.84 0.00 0.00 0.00 176.54 176.74 3hlm h THR 135 N 0.36 1.09 -0.55 4.70 2.02 -1.92 -1.16 112.91 117.46 3hlm h THR 135 Ca -0.02 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.01 3hlm h THR 135 Cb 1.18 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3hlm h THR 135 CO 0.12 0.09 0.36 1.23 0.37 0.00 0.00 175.52 177.69 3hlm h GLY 136 N 0.34 0.63 1.18 2.16 0.00 -1.30 0.46 103.07 106.55 3hlm h GLY 136 Ca 0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 3hlm h GLY 136 CO -0.02 0.16 -0.71 0.00 0.00 0.00 0.00 176.54 175.98 3hlm h ALA 137 N 1.70 0.37 -0.25 3.60 0.00 -1.05 0.10 119.26 123.74 3hlm h ALA 137 Ca 0.23 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3hlm h ALA 137 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3hlm h ALA 137 CO -0.06 0.68 -0.12 -0.07 0.00 0.00 0.00 179.25 179.68 3hlm h LEU 138 N 0.58 -0.39 -0.95 0.00 3.38 0.04 -1.34 115.31 116.63 3hlm h LEU 138 Ca -0.03 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3hlm h LEU 138 Cb 1.33 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 3hlm h LEU 138 CO 0.15 -0.15 -0.27 -0.09 0.09 0.00 0.00 178.44 178.17 3hlm h ARG 139 N -0.08 0.45 -0.34 1.13 9.65 0.33 0.24 114.38 125.76 3hlm h ARG 139 Ca 0.13 -0.17 -0.13 0.00 -1.10 0.00 0.00 59.98 58.71 3hlm h ARG 139 Cb 0.28 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 3hlm h ARG 139 CO -0.30 0.68 -0.29 0.28 2.80 0.00 0.00 179.97 183.14 3hlm h VAL 140 N 0.40 1.29 -0.11 0.20 2.07 -0.53 -0.78 116.25 118.78 3hlm h VAL 140 Ca 0.06 -1.45 -0.18 0.00 0.82 0.00 0.00 66.70 65.95 3hlm h VAL 140 Cb 0.68 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3hlm h VAL 140 CO 0.05 0.47 -0.67 1.23 0.02 0.00 0.00 177.57 178.68 3hlm h GLY 141 N 0.57 0.50 0.89 2.17 0.00 -0.70 0.10 103.07 106.60 3hlm h GLY 141 Ca 0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 3hlm h GLY 141 CO 0.07 0.59 -0.04 0.00 0.00 0.00 0.00 176.54 177.16 3hlm h ALA 142 N 0.95 -0.12 -0.15 3.60 0.00 -0.36 0.17 119.26 123.35 3hlm h ALA 142 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hlm h ALA 142 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hlm h ALA 142 CO 0.12 -0.51 0.11 0.66 0.00 0.00 0.00 179.25 179.62 3hlm h SER 143 N -0.24 0.00 -0.02 0.00 4.64 -0.82 0.28 113.55 117.39 3hlm h SER 143 Ca -0.01 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3hlm h SER 143 Cb 0.20 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3hlm h SER 143 CO 0.02 0.00 -0.44 0.15 -0.87 0.00 0.00 176.83 175.69 3hlm h PHE 144 N 0.00 0.49 -0.15 4.77 3.57 0.11 -2.52 116.94 123.21 3hlm h PHE 144 Ca 0.07 -0.25 0.05 0.00 3.53 0.00 0.00 57.97 61.37 3hlm h PHE 144 Cb 0.28 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 3hlm h PHE 144 CO -0.00 1.04 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.70 3hlm h LEU 145 N -0.20 -1.11 -1.11 0.59 3.38 0.68 -0.44 115.31 117.09 3hlm h LEU 145 Ca -0.05 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.29 3hlm h LEU 145 Cb 1.15 0.47 -0.10 0.00 0.09 0.00 0.00 40.66 42.26 3hlm h LEU 145 CO 0.09 -0.38 0.62 -0.61 0.09 0.00 0.00 178.44 178.24 3hlm h GLN 146 N -0.42 0.62 0.07 1.13 -0.00 -0.41 0.31 115.11 116.41 3hlm h GLN 146 Ca 0.10 -0.04 -0.35 0.00 -0.00 0.00 0.00 58.65 58.36 3hlm h GLN 146 Cb 0.57 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.88 3hlm h GLN 146 CO -0.38 0.41 -1.97 -2.13 0.00 0.00 0.00 178.83 174.76 3hlm n ARG 147 N -4.75 0.71 -0.00 1.69 0.63 -0.95 -4.57 116.66 109.42 3hlm n ARG 147 Ca 0.24 0.25 0.05 0.00 -0.92 0.00 0.00 57.85 57.47 3hlm n ARG 147 Cb 0.66 -1.71 -0.08 0.00 0.45 0.00 0.00 32.46 31.79 3hlm n ARG 147 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hlm n PHE 148 N -3.30 0.00 -1.47 -0.14 3.72 -0.22 -4.83 117.46 111.22 3hlm n PHE 148 Ca -0.29 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.69 3hlm n PHE 148 Cb 1.05 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 39.38 3hlm n PHE 148 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hlm n PHE 149 N -1.71 2.71 0.11 1.38 7.35 0.10 -4.74 117.46 122.66 3hlm n PHE 149 Ca -0.01 -2.35 0.05 0.00 -0.76 0.00 0.00 57.45 54.38 3hlm n PHE 149 Cb 0.25 -2.13 0.47 0.00 0.35 0.00 0.00 39.48 38.42 3hlm n PHE 149 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3hlm h LYS 150 N 7.09 0.29 -0.10 -4.13 2.10 -1.88 -3.03 116.57 116.91 3hlm h LYS 150 Ca 0.48 -0.03 0.03 0.00 -2.00 0.00 0.00 60.65 59.13 3hlm h LYS 150 Cb 0.67 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.94 3hlm h LYS 150 CO 1.90 0.27 0.18 0.74 -2.00 0.00 0.00 179.45 180.54 3hlm h PHE 151 N 0.29 0.00 -1.85 0.07 0.04 -1.87 -3.45 116.94 110.16 3hlm h PHE 151 Ca 0.07 0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.05 3hlm h PHE 151 Cb 0.10 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.10 3hlm h PHE 151 CO 0.00 0.00 0.66 0.45 -0.60 0.00 0.00 178.31 178.83 3hlm s SER 152 N -5.37 -0.21 0.00 2.17 0.15 -1.15 -4.82 113.70 104.47 3hlm s SER 152 Ca -0.04 -0.06 0.10 0.00 0.70 0.00 0.00 55.95 56.64 3hlm s SER 152 Cb 0.13 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 3hlm s SER 152 CO 0.46 -0.45 0.78 0.54 1.20 0.00 0.00 173.24 175.77 3hlm n ARG 153 N -0.24 0.72 -3.21 5.44 5.12 -1.26 -4.90 116.66 118.33 3hlm n ARG 153 Ca -0.05 -1.01 -0.39 0.00 -1.93 0.00 0.00 57.85 54.48 3hlm n ARG 153 Cb 0.60 -1.17 -0.05 0.00 -1.16 0.00 0.00 32.46 30.68 3hlm n ARG 153 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hlm s ASP 154 N -0.93 6.83 -0.23 0.55 1.01 -1.26 -0.11 116.67 122.54 3hlm s ASP 154 Ca 0.11 0.99 0.02 0.00 0.71 0.00 0.00 52.55 54.38 3hlm s ASP 154 Cb 0.08 -2.34 0.05 0.00 1.01 0.00 0.00 42.92 41.72 3hlm s ASP 154 CO 0.15 -0.03 -0.10 -0.69 0.21 0.00 0.00 175.17 174.71 3hlm s VAL 155 N 0.57 1.83 -0.27 -1.27 1.01 0.16 -2.02 120.40 120.40 3hlm s VAL 155 Ca 0.31 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 3hlm s VAL 155 Cb -0.16 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3hlm s VAL 155 CO 0.14 0.07 0.59 -0.36 0.00 0.00 0.00 175.10 175.54 3hlm s PHE 156 N 1.28 3.26 0.10 5.22 0.40 -0.48 -1.09 117.98 126.67 3hlm s PHE 156 Ca -0.05 0.69 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 3hlm s PHE 156 Cb -0.18 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.47 3hlm s PHE 156 CO -0.07 -0.36 0.22 -0.51 0.70 0.00 0.00 175.22 175.20 3hlm s LEU 157 N 2.47 4.26 0.80 -0.37 1.43 -0.58 -1.34 118.68 125.35 3hlm s LEU 157 Ca 0.24 0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3hlm s LEU 157 Cb -0.15 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.28 3hlm s LEU 157 CO 0.10 0.13 1.16 -0.81 0.23 0.00 0.00 176.35 177.15 3hlm n PRO 158 N -0.01 0.24 -3.72 1.29 -0.04 -1.26 -1.03 135.00 130.47 3hlm n PRO 158 Ca -0.06 0.16 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 3hlm n PRO 158 Cb 0.52 -2.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.46 3hlm n PRO 158 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hlm s LYS 159 N -3.99 2.55 0.00 0.54 1.02 -0.28 -2.98 119.74 116.61 3hlm s LYS 159 Ca 0.73 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3hlm s LYS 159 Cb -0.30 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 3hlm s LYS 159 CO 0.51 -0.77 0.00 -0.35 -0.92 0.00 0.00 175.35 173.82 3hlm n PRO 160 N 4.81 1.20 -2.44 -1.68 -0.04 -1.26 -2.14 135.00 133.45 3hlm n PRO 160 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 3hlm n PRO 160 Cb 0.44 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 3hlm n PRO 160 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hlm n SER 161 N -0.83 -0.58 -4.75 3.54 2.88 -1.16 -4.93 113.62 107.79 3hlm n SER 161 Ca 0.00 -1.72 -0.41 0.00 -1.33 0.00 0.00 58.87 55.41 3hlm n SER 161 Cb 0.00 1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 64.50 3hlm n SER 161 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3hlm s TRP 162 N -4.52 2.93 0.21 0.66 -0.00 -1.18 -4.48 118.94 112.57 3hlm s TRP 162 Ca 0.11 1.05 -0.10 0.00 -0.00 0.00 0.00 56.10 57.15 3hlm s TRP 162 Cb -0.01 -3.87 0.31 0.00 -0.00 0.00 0.00 33.47 29.90 3hlm s TRP 162 CO 0.08 -2.76 1.67 0.78 -0.00 0.00 0.00 176.95 176.71 3hlm h GLY 163 N 4.58 0.69 1.62 5.86 0.00 -2.00 -2.50 103.07 111.32 3hlm h GLY 163 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3hlm h GLY 163 CO 0.75 -0.19 0.00 -2.01 0.00 0.00 0.00 176.54 175.09 3hlm n ASN 164 N -5.26 0.00 0.10 0.19 5.15 -1.26 -2.60 115.26 111.59 3hlm n ASN 164 Ca 0.09 0.04 -0.02 0.00 -0.60 0.00 0.00 54.58 54.10 3hlm n ASN 164 Cb 0.36 -0.31 0.23 0.00 -0.53 0.00 0.00 39.78 39.52 3hlm n ASN 164 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 3hlm h HIS 165 N 0.00 0.24 0.53 1.20 3.86 -1.82 -2.68 115.15 116.48 3hlm h HIS 165 Ca 0.00 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3hlm h HIS 165 Cb 0.22 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 28.64 3hlm h HIS 165 CO 0.00 0.61 -0.25 1.15 0.86 0.00 0.00 177.93 180.29 3hlm h THR 166 N 0.17 0.20 -0.82 2.45 2.02 -1.69 -2.74 112.91 112.50 3hlm h THR 166 Ca 0.01 -0.46 0.17 0.00 0.77 0.00 0.00 66.41 66.90 3hlm h THR 166 Cb 0.84 0.30 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 3hlm h THR 166 CO 0.07 0.04 0.34 -0.65 0.37 0.00 0.00 175.52 175.69 3hlm h PRO 167 N -1.10 0.44 -0.27 6.66 0.11 -1.77 0.40 132.00 136.47 3hlm h PRO 167 Ca -0.07 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.07 3hlm h PRO 167 Cb 0.61 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.56 3hlm h PRO 167 CO 0.12 0.29 -0.10 0.82 -0.21 0.00 0.00 178.00 178.92 3hlm h ILE 168 N 0.45 0.67 0.08 4.15 2.04 -1.44 0.69 117.51 124.15 3hlm h ILE 168 Ca 0.47 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 66.08 3hlm h ILE 168 Cb 0.78 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3hlm h ILE 168 CO -0.45 0.00 -1.12 -0.26 0.00 0.00 0.00 178.15 176.33 3hlm h PHE 169 N -0.04 0.50 0.52 1.37 0.04 -1.28 -2.65 116.94 115.39 3hlm h PHE 169 Ca 0.14 -0.33 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 3hlm h PHE 169 Cb 0.25 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.37 3hlm h PHE 169 CO -0.29 1.21 -0.25 -0.09 -0.60 0.00 0.00 178.31 178.29 3hlm h ARG 170 N 0.12 -0.67 -0.98 1.51 2.43 -0.62 0.13 114.38 116.29 3hlm h ARG 170 Ca -0.11 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.38 3hlm h ARG 170 Cb 1.81 0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 31.33 3hlm h ARG 170 CO 0.18 -0.45 0.03 -0.44 -1.51 0.00 0.00 179.97 177.78 3hlm h ASP 171 N -0.79 -0.48 0.75 -3.80 5.19 0.26 0.40 116.42 117.94 3hlm h ASP 171 Ca -0.07 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3hlm h ASP 171 Cb 0.54 0.49 0.00 0.00 0.18 0.00 0.00 39.33 40.53 3hlm h ASP 171 CO 0.12 -0.35 0.00 0.00 -3.12 0.00 0.00 179.24 175.88 3hlm n ALA 172 N -3.14 1.70 0.00 3.45 0.00 -1.00 -4.90 120.51 116.63 3hlm n ALA 172 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3hlm n ALA 172 Cb 0.75 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3hlm n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hlm n GLY 173 N 0.08 1.37 3.78 0.00 0.00 0.14 -4.77 105.19 105.79 3hlm n GLY 173 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3hlm n GLY 173 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hlm s MET 174 N -0.25 2.65 -0.12 1.61 -1.94 0.32 -4.98 119.30 116.60 3hlm s MET 174 Ca 0.00 -1.28 -0.12 0.00 -1.71 0.00 0.00 55.69 52.58 3hlm s MET 174 Cb 0.00 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.40 3hlm s MET 174 CO 0.00 0.26 0.25 -0.65 -0.01 0.00 0.00 175.02 174.87 3hlm s GLN 175 N -3.85 3.92 0.06 2.03 -1.52 0.85 -4.07 119.66 117.07 3hlm s GLN 175 Ca 0.36 0.06 -0.18 0.00 -1.95 0.00 0.00 55.36 53.65 3hlm s GLN 175 Cb -0.06 -3.30 -0.06 0.00 -0.22 0.00 0.00 33.01 29.36 3hlm s GLN 175 CO 0.24 0.52 0.52 -0.51 -0.25 0.00 0.00 175.29 175.81 3hlm s LEU 176 N -0.36 4.50 0.00 2.90 2.01 -1.26 -0.67 118.68 125.80 3hlm s LEU 176 Ca 0.17 1.17 0.01 0.00 0.01 0.00 0.00 54.13 55.49 3hlm s LEU 176 Cb -0.13 -2.84 -0.00 0.00 0.01 0.00 0.00 46.19 43.22 3hlm s LEU 176 CO 0.05 0.28 0.05 0.00 1.01 0.00 0.00 176.35 177.74 3hlm n GLN 177 N 1.68 0.90 -3.95 1.70 1.13 -0.25 -4.85 117.38 113.73 3hlm n GLN 177 Ca -0.11 -1.26 -0.09 0.00 -1.94 0.00 0.00 57.00 53.61 3hlm n GLN 177 Cb 0.51 0.64 -0.08 0.00 0.11 0.00 0.00 30.24 31.42 3hlm n GLN 177 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hlm s GLY 178 N -1.92 0.35 0.01 1.08 0.00 -1.26 -1.52 107.32 104.06 3hlm s GLY 178 Ca 0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 3hlm s GLY 178 CO 0.05 -0.96 -0.02 -2.52 0.00 0.00 0.00 173.10 169.65 3hlm s TYR 179 N -3.92 0.17 0.34 1.90 1.13 -0.20 -4.82 117.35 111.95 3hlm s TYR 179 Ca 0.11 -0.35 -0.28 0.00 -1.41 0.00 0.00 57.07 55.13 3hlm s TYR 179 Cb 0.05 -0.13 -0.10 0.00 -1.10 0.00 0.00 41.96 40.68 3hlm s TYR 179 CO -0.07 -0.13 1.29 1.03 -2.51 0.00 0.00 175.55 175.16 3hlm s ARG 180 N -1.00 4.33 0.26 -3.49 0.52 -1.26 -1.12 118.95 117.18 3hlm s ARG 180 Ca -0.11 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 3hlm s ARG 180 Cb -0.07 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.36 3hlm s ARG 180 CO -0.01 -0.19 0.00 0.98 0.02 0.00 0.00 175.30 176.10 3hlm n TYR 181 N 0.74 -2.21 -2.36 -0.53 9.36 -1.18 -2.94 117.16 118.05 3hlm n TYR 181 Ca 0.00 0.39 -0.34 0.00 3.32 0.00 0.00 57.90 61.27 3hlm n TYR 181 Cb 0.42 0.53 -0.01 0.00 -0.63 0.00 0.00 39.34 39.65 3hlm n TYR 181 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3hlm s TYR 182 N -2.00 2.85 -0.35 2.98 5.04 -0.91 -1.48 117.35 123.48 3hlm s TYR 182 Ca 0.00 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 3hlm s TYR 182 Cb 0.00 -3.15 0.10 0.00 0.35 0.00 0.00 41.96 39.25 3hlm s TYR 182 CO 0.00 -1.18 0.07 0.34 -1.34 0.00 0.00 175.55 173.44 3hlm s ASP 183 N -1.99 4.87 0.59 4.32 -1.08 -0.11 -4.42 116.67 118.85 3hlm s ASP 183 Ca 0.69 -2.04 0.29 0.00 -0.52 0.00 0.00 52.55 50.96 3hlm s ASP 183 Cb -0.19 -1.68 1.57 0.00 -1.46 0.00 0.00 42.92 41.16 3hlm s ASP 183 CO 0.25 -0.40 2.01 -0.65 0.52 0.00 0.00 175.17 176.90 3hlm h PRO 184 N 7.74 0.00 -0.34 4.34 0.11 -1.97 0.30 132.00 142.19 3hlm h PRO 184 Ca -0.08 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.10 3hlm h PRO 184 Cb 1.03 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 3hlm h PRO 184 CO 0.56 0.00 -0.14 0.87 -0.21 0.00 0.00 178.00 179.08 3hlm h LYS 185 N 0.00 -0.07 0.00 1.05 1.57 -1.94 -3.28 116.57 113.90 3hlm h LYS 185 Ca 0.14 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 3hlm h LYS 185 Cb 0.79 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3hlm h LYS 185 CO -0.00 -0.05 -1.99 2.41 -0.57 0.00 0.00 179.45 179.26 3hlm n THR 186 N -5.32 0.80 -3.96 -0.16 -1.04 0.83 -4.95 114.28 100.48 3hlm n THR 186 Ca 0.01 -0.68 -0.29 0.00 -2.04 0.00 0.00 64.05 61.05 3hlm n THR 186 Cb 0.23 -0.35 0.01 0.00 -1.82 0.00 0.00 70.33 68.40 3hlm n THR 186 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hlm n GLY 188 N -1.66 2.37 3.56 0.00 0.00 -1.22 -4.76 105.19 103.48 3hlm n GLY 188 Ca -0.08 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3hlm n GLY 188 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hlm s PHE 189 N -3.22 3.09 -1.16 1.61 5.36 -1.26 -0.93 117.98 121.46 3hlm s PHE 189 Ca 0.26 0.34 -0.22 0.00 -0.96 0.00 0.00 56.93 56.35 3hlm s PHE 189 Cb -0.01 -3.37 -0.05 0.00 -0.34 0.00 0.00 43.02 39.26 3hlm s PHE 189 CO 0.18 -0.77 1.88 0.34 -1.46 0.00 0.00 175.22 175.39 3hlm s ASP 190 N 1.91 5.46 0.07 6.13 2.15 -0.55 -4.78 116.67 127.05 3hlm s ASP 190 Ca 0.28 -1.68 -0.35 0.00 0.43 0.00 0.00 52.55 51.22 3hlm s ASP 190 Cb -0.13 -2.58 -0.19 0.00 -0.30 0.00 0.00 42.92 39.72 3hlm s ASP 190 CO 0.18 -2.59 1.54 0.15 -0.17 0.00 0.00 175.17 174.27 3hlm h PHE 191 N 9.51 -1.27 -0.00 -5.34 3.57 -1.92 -1.21 116.94 120.28 3hlm h PHE 191 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3hlm h PHE 191 Cb 0.94 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 3hlm h PHE 191 CO 1.26 -0.71 0.00 0.66 -2.23 0.00 0.00 178.31 177.29 3hlm h SER 192 N -1.17 0.00 0.00 0.41 4.64 -1.98 0.82 113.55 116.28 3hlm h SER 192 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3hlm h SER 192 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3hlm h SER 192 CO 0.11 0.00 -0.05 1.23 -0.87 0.00 0.00 176.83 177.24 3hlm h GLY 193 N 0.00 0.00 -0.93 -0.77 0.00 -1.86 -1.34 103.07 98.16 3hlm h GLY 193 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3hlm h GLY 193 CO -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.04 3hlm n ALA 194 N -2.76 -0.46 -0.09 3.60 0.00 -0.47 -0.42 120.51 119.92 3hlm n ALA 194 Ca -0.05 0.83 0.02 0.00 0.00 0.00 0.00 53.44 54.24 3hlm n ALA 194 Cb 0.23 -0.21 0.32 0.00 0.00 0.00 0.00 19.45 19.79 3hlm n ALA 194 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hlm h LEU 195 N 0.00 0.64 -0.02 0.00 5.85 0.63 -0.23 115.31 122.19 3hlm h LEU 195 Ca 0.20 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hlm h LEU 195 Cb 0.43 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hlm h LEU 195 CO -0.89 0.51 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.58 3hlm h GLU 196 N 0.73 0.07 -0.60 1.25 4.81 -0.52 -2.99 114.58 117.33 3hlm h GLU 196 Ca 0.19 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 3hlm h GLU 196 Cb 0.00 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.31 3hlm h GLU 196 CO -0.03 0.67 0.16 -0.44 -0.73 0.00 0.00 179.01 178.64 3hlm h ASP 197 N -0.53 0.08 -0.53 1.04 3.32 -0.51 -1.97 116.42 117.33 3hlm h ASP 197 Ca -0.00 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3hlm h ASP 197 Cb 0.68 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3hlm h ASP 197 CO 0.01 0.05 0.20 0.40 -1.72 0.00 0.00 179.24 178.19 3hlm h ILE 198 N 0.31 1.21 0.00 0.35 2.04 -1.09 0.41 117.51 120.74 3hlm h ILE 198 Ca 0.31 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hlm h ILE 198 Cb 0.44 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3hlm h ILE 198 CO -0.37 0.27 0.00 0.77 0.00 0.00 0.00 178.15 178.83 3hlm h SER 199 N 0.83 0.00 0.20 1.72 4.64 -1.33 -3.23 113.55 116.37 3hlm h SER 199 Ca 0.19 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.25 3hlm h SER 199 Cb 0.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3hlm h SER 199 CO -0.01 0.00 -1.18 0.11 -0.87 0.00 0.00 176.83 174.87 3hlm h LYS 200 N 0.00 0.42 -3.67 4.77 1.57 -0.19 -3.46 116.57 116.00 3hlm h LYS 200 Ca 0.00 -0.72 -0.50 0.00 -1.87 0.00 0.00 60.65 57.56 3hlm h LYS 200 Cb 0.62 0.27 0.02 0.00 0.08 0.00 0.00 32.23 33.21 3hlm h LYS 200 CO 0.00 1.34 0.18 -0.89 -0.57 0.00 0.00 179.45 179.51 3hlm n ILE 201 N -3.91 0.00 -0.82 1.86 5.41 -0.54 -4.87 119.36 116.49 3hlm n ILE 201 Ca -0.16 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.27 3hlm n ILE 201 Cb 0.97 -0.11 0.15 0.00 -0.71 0.00 0.00 39.64 39.94 3hlm n ILE 201 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3hlm s PRO 202 N 0.67 1.20 0.41 0.38 0.02 -1.26 -4.91 135.00 131.51 3hlm s PRO 202 Ca 0.59 1.61 -0.25 0.00 0.02 0.00 0.00 61.00 62.97 3hlm s PRO 202 Cb -0.83 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 31.87 3hlm s PRO 202 CO 0.41 -2.51 1.17 -1.21 -0.33 0.00 0.00 177.00 174.53 3hlm s GLU 203 N -4.50 4.02 -1.37 5.54 2.02 -1.26 -2.85 118.70 120.30 3hlm s GLU 203 Ca 0.69 1.84 0.00 0.00 0.02 0.00 0.00 54.97 57.52 3hlm s GLU 203 Cb -0.25 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3hlm s GLU 203 CO 0.56 -0.35 0.00 1.04 0.02 0.00 0.00 175.26 176.53 3hlm n GLN 204 N 0.01 -1.04 -2.19 1.61 6.02 0.15 -5.00 117.38 116.94 3hlm n GLN 204 Ca 0.05 0.94 -0.26 0.00 -0.01 0.00 0.00 57.00 57.71 3hlm n GLN 204 Cb 0.47 -5.04 0.10 0.00 1.02 0.00 0.00 30.24 26.78 3hlm n GLN 204 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3hlm s SER 205 N -2.76 4.42 -0.12 1.08 0.01 -1.13 -4.30 113.70 110.90 3hlm s SER 205 Ca 0.00 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.56 3hlm s SER 205 Cb 0.00 -0.81 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 3hlm s SER 205 CO 0.00 -1.86 -0.04 -0.69 0.41 0.00 0.00 173.24 171.06 3hlm s VAL 206 N -3.37 3.93 -0.24 3.43 1.01 -0.86 -0.91 120.40 123.40 3hlm s VAL 206 Ca 0.64 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3hlm s VAL 206 Cb -0.09 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.67 3hlm s VAL 206 CO 0.46 0.54 -0.11 -0.22 0.00 0.00 0.00 175.10 175.78 3hlm s LEU 207 N -0.20 2.96 0.20 3.92 2.96 0.55 -1.38 118.68 127.68 3hlm s LEU 207 Ca 0.04 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 3hlm s LEU 207 Cb -0.13 -1.43 -0.08 0.00 0.50 0.00 0.00 46.19 45.06 3hlm s LEU 207 CO 0.02 -0.17 1.13 -0.22 -1.32 0.00 0.00 176.35 175.79 3hlm s LEU 208 N 1.22 4.49 -0.03 -0.68 0.20 -0.45 -2.30 118.68 121.13 3hlm s LEU 208 Ca -0.06 2.16 0.01 0.00 0.69 0.00 0.00 54.13 56.93 3hlm s LEU 208 Cb -0.18 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 41.99 3hlm s LEU 208 CO -0.07 -0.25 -0.01 -0.76 -0.29 0.00 0.00 176.35 174.97 3hlm s LEU 209 N -0.52 1.23 -0.31 -0.68 1.43 -0.43 -4.44 118.68 114.96 3hlm s LEU 209 Ca 0.49 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 3hlm s LEU 209 Cb -0.31 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.65 3hlm s LEU 209 CO 0.37 -0.08 1.07 -1.00 0.23 0.00 0.00 176.35 176.93 3hlm s HIS 210 N 0.96 3.18 0.45 0.29 3.76 -1.26 -0.50 115.29 122.17 3hlm s HIS 210 Ca -0.10 1.24 0.19 0.00 -0.15 0.00 0.00 55.06 56.23 3hlm s HIS 210 Cb -0.14 -3.63 1.15 0.00 1.11 0.00 0.00 32.58 31.07 3hlm s HIS 210 CO -0.01 -0.72 1.91 0.00 -0.85 0.00 0.00 174.74 175.06 3hlm h ALA 211 N 8.00 2.27 -1.00 -1.40 0.00 -1.12 -3.45 119.26 122.55 3hlm h ALA 211 Ca -0.20 0.00 0.40 0.00 0.00 0.00 0.00 54.91 55.11 3hlm h ALA 211 Cb 1.06 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 3hlm h ALA 211 CO 1.03 -0.50 1.00 0.00 0.00 0.00 0.00 179.25 180.78 3hlm n ALA 213 N -0.49 -2.22 -1.51 0.00 0.00 -1.26 -4.69 120.51 110.34 3hlm n ALA 213 Ca -0.10 -0.28 -0.49 0.00 0.00 0.00 0.00 53.44 52.57 3hlm n ALA 213 Cb 0.64 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 3hlm n ALA 213 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hlm n HIS 214 N -4.37 0.64 -4.13 0.00 -0.00 -1.26 -4.83 115.22 101.26 3hlm n HIS 214 Ca -0.23 0.83 -0.33 0.00 0.46 0.00 0.00 57.72 58.45 3hlm n HIS 214 Cb 0.65 -2.15 -0.15 0.00 -0.12 0.00 0.00 29.99 28.22 3hlm n HIS 214 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3hlm s ASN 215 N -0.42 3.45 -0.10 0.26 3.84 -1.26 -1.62 114.94 119.10 3hlm s ASN 215 Ca 0.70 -0.57 0.14 0.00 0.21 0.00 0.00 52.86 53.34 3hlm s ASN 215 Cb -0.91 -1.55 0.45 0.00 -0.55 0.00 0.00 41.25 38.69 3hlm s ASN 215 CO 0.56 0.01 1.37 -0.81 -2.79 0.00 0.00 177.10 175.43 3hlm n PRO 216 N 4.58 2.99 -0.03 0.43 -0.04 -1.26 -3.08 135.00 138.60 3hlm n PRO 216 Ca -0.20 -2.50 -0.08 0.00 -0.04 0.00 0.00 63.50 60.68 3hlm n PRO 216 Cb 0.50 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 3hlm n PRO 216 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hlm h THR 217 N 2.09 0.87 0.00 0.52 1.35 -1.75 -3.35 112.91 112.64 3hlm h THR 217 Ca 0.00 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3hlm h THR 217 Cb 1.14 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3hlm h THR 217 CO 0.13 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3hlm n GLY 218 N 1.40 0.79 3.59 5.82 0.00 -0.64 -1.42 105.19 114.73 3hlm n GLY 218 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3hlm n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hlm s VAL 219 N -2.00 5.08 0.25 1.61 1.01 -1.26 0.89 120.40 125.98 3hlm s VAL 219 Ca 0.00 0.54 0.11 0.00 0.00 0.00 0.00 61.98 62.63 3hlm s VAL 219 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3hlm s VAL 219 CO 0.00 -0.03 -0.13 -1.81 0.00 0.00 0.00 175.10 173.13 3hlm s ASP 220 N 1.67 3.97 1.09 3.32 1.01 -1.26 -4.54 116.67 121.93 3hlm s ASP 220 Ca 0.18 -0.82 -0.17 0.00 0.71 0.00 0.00 52.55 52.45 3hlm s ASP 220 Cb -0.16 -0.53 0.23 0.00 1.01 0.00 0.00 42.92 43.48 3hlm s ASP 220 CO 0.11 0.05 1.15 -2.84 0.21 0.00 0.00 175.17 173.85 3hlm s PRO 221 N -3.36 -0.29 0.25 8.23 0.02 -1.26 -4.86 135.00 133.72 3hlm s PRO 221 Ca 0.29 -0.01 0.12 0.00 0.02 0.00 0.00 61.00 61.41 3hlm s PRO 221 Cb -0.06 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 3hlm s PRO 221 CO 0.16 -3.10 -0.20 1.03 -0.33 0.00 0.00 177.00 174.55 3hlm s ARG 222 N -5.42 1.65 0.14 5.54 0.52 -1.26 -4.89 118.95 115.24 3hlm s ARG 222 Ca 0.70 -1.67 -0.28 0.00 -0.52 0.00 0.00 55.73 53.96 3hlm s ARG 222 Cb -0.10 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 3hlm s ARG 222 CO 0.55 0.36 1.45 -2.30 0.02 0.00 0.00 175.30 175.38 3hlm n PRO 223 N -0.32 -0.40 0.19 3.54 -0.02 -1.26 0.11 135.00 136.85 3hlm n PRO 223 Ca -0.08 1.42 0.14 0.00 -2.02 0.00 0.00 63.50 62.97 3hlm n PRO 223 Cb 0.59 -2.10 0.66 0.00 -0.02 0.00 0.00 33.50 32.63 3hlm n PRO 223 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hlm h GLU 224 N 0.00 0.00 0.11 -0.52 9.09 -2.00 -1.84 114.58 119.42 3hlm h GLU 224 Ca 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.55 3hlm h GLU 224 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3hlm h GLU 224 CO -0.85 0.00 -0.05 1.96 0.05 0.00 0.00 179.01 180.12 3hlm h GLN 225 N 0.00 -0.15 -0.90 1.06 4.20 0.40 -3.32 115.11 116.41 3hlm h GLN 225 Ca 0.00 0.01 0.25 0.00 0.06 0.00 0.00 58.65 58.97 3hlm h GLN 225 Cb 0.20 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 27.87 3hlm h GLN 225 CO 0.00 0.33 0.24 -1.49 -0.67 0.00 0.00 178.83 177.24 3hlm h TRP 226 N -0.89 0.36 -0.33 2.96 -0.00 -0.45 0.16 115.95 117.76 3hlm h TRP 226 Ca -0.02 0.05 0.08 0.00 -0.00 0.00 0.00 58.89 59.01 3hlm h TRP 226 Cb 0.54 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.68 3hlm h TRP 226 CO 0.11 -0.24 0.24 0.87 -0.00 0.00 0.00 178.44 179.42 3hlm h LYS 227 N 0.19 0.06 0.04 0.49 1.57 -1.46 -0.13 116.57 117.34 3hlm h LYS 227 Ca 0.57 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.27 3hlm h LYS 227 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3hlm h LYS 227 CO -0.68 0.04 -0.35 0.93 -0.57 0.00 0.00 179.45 178.83 3hlm h GLU 228 N 0.07 0.09 -0.46 3.15 5.08 -0.81 -2.59 114.58 119.11 3hlm h GLU 228 Ca 0.16 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3hlm h GLU 228 Cb 0.54 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 3hlm h GLU 228 CO -0.01 1.08 -0.23 0.82 -1.00 0.00 0.00 179.01 179.67 3hlm h ILE 229 N -0.80 0.35 -0.95 3.13 2.04 -1.18 -2.39 117.51 117.71 3hlm h ILE 229 Ca -0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.93 3hlm h ILE 229 Cb 1.23 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3hlm h ILE 229 CO 0.03 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.79 3hlm h ALA 230 N 1.15 1.68 -0.39 1.87 0.00 -1.01 -2.04 119.26 120.53 3hlm h ALA 230 Ca 0.22 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3hlm h ALA 230 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hlm h ALA 230 CO -0.54 0.07 -0.30 0.77 0.00 0.00 0.00 179.25 179.25 3hlm h SER 231 N 0.84 0.93 0.04 0.00 0.02 -1.02 0.16 113.55 114.52 3hlm h SER 231 Ca 0.48 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3hlm h SER 231 Cb 0.63 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3hlm h SER 231 CO -0.25 1.18 -0.09 0.58 -1.14 0.00 0.00 176.83 177.11 3hlm h VAL 232 N 0.70 0.79 -0.34 2.27 2.07 -1.25 -1.55 116.25 118.94 3hlm h VAL 232 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3hlm h VAL 232 Cb 0.88 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3hlm h VAL 232 CO 0.08 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.31 3hlm h VAL 233 N -0.17 0.82 -0.12 2.57 2.07 -1.16 0.73 116.25 121.00 3hlm h VAL 233 Ca 0.02 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3hlm h VAL 233 Cb 0.19 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3hlm h VAL 233 CO -0.06 0.03 0.08 0.50 0.02 0.00 0.00 177.57 178.15 3hlm h LYS 234 N 0.17 0.05 0.00 1.57 3.64 -0.42 -2.64 116.57 118.94 3hlm h LYS 234 Ca 0.16 -0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.21 3hlm h LYS 234 Cb 0.18 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 3hlm h LYS 234 CO -0.22 0.03 -2.22 1.63 -2.27 0.00 0.00 179.45 176.41 3hlm n LYS 235 N -4.51 0.88 0.12 1.90 4.76 -0.61 -4.01 118.16 116.69 3hlm n LYS 235 Ca -0.01 0.06 0.10 0.00 -2.87 0.00 0.00 58.31 55.60 3hlm n LYS 235 Cb 0.16 -1.44 0.48 0.00 -1.84 0.00 0.00 35.03 32.39 3hlm n LYS 235 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hlm n LYS 236 N -2.89 0.15 -3.15 1.97 4.76 0.25 -4.96 118.16 114.28 3hlm n LYS 236 Ca -0.33 0.49 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 3hlm n LYS 236 Cb 0.99 -1.85 0.07 0.00 -1.84 0.00 0.00 35.03 32.40 3hlm n LYS 236 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3hlm n ASN 237 N -2.14 -5.82 -4.86 4.39 5.15 -1.02 -3.65 115.26 107.30 3hlm n ASN 237 Ca 0.01 -0.65 -0.25 0.00 -0.60 0.00 0.00 54.58 53.09 3hlm n ASN 237 Cb 0.14 -4.89 -0.04 0.00 -0.53 0.00 0.00 39.78 34.46 3hlm n ASN 237 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hlm s LEU 238 N -5.33 4.00 -0.21 1.20 1.43 -1.04 -0.67 118.68 118.05 3hlm s LEU 238 Ca 0.38 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 3hlm s LEU 238 Cb -0.05 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 3hlm s LEU 238 CO 0.69 0.03 0.15 0.12 0.23 0.00 0.00 176.35 177.57 3hlm s PHE 239 N -1.84 3.38 -0.46 0.29 5.36 -0.08 -4.88 117.98 119.73 3hlm s PHE 239 Ca 0.33 0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 56.44 3hlm s PHE 239 Cb -0.10 -2.21 0.06 0.00 -0.34 0.00 0.00 43.02 40.43 3hlm s PHE 239 CO 0.26 0.20 0.41 0.00 -1.46 0.00 0.00 175.22 174.63 3hlm s ALA 240 N 0.63 3.51 -0.38 11.12 0.00 -1.26 -0.33 121.76 135.05 3hlm s ALA 240 Ca 0.08 -1.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.01 3hlm s ALA 240 Cb -0.12 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 19.97 3hlm s ALA 240 CO 0.01 -1.71 0.20 0.12 0.00 0.00 0.00 175.76 174.39 3hlm s PHE 241 N 1.82 3.28 -0.10 0.00 5.99 -0.97 -1.62 117.98 126.39 3hlm s PHE 241 Ca 0.06 -1.25 -0.16 0.00 0.00 0.00 0.00 56.93 55.58 3hlm s PHE 241 Cb -0.22 -2.58 -0.05 0.00 0.00 0.00 0.00 43.02 40.17 3hlm s PHE 241 CO 0.09 -0.73 0.42 -0.06 -0.00 0.00 0.00 175.22 174.93 3hlm s PHE 242 N 1.48 3.56 -0.27 10.12 0.40 0.12 -1.32 117.98 132.07 3hlm s PHE 242 Ca 0.01 0.86 -0.08 0.00 -0.60 0.00 0.00 56.93 57.12 3hlm s PHE 242 Cb -0.21 -2.44 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 3hlm s PHE 242 CO 0.04 0.30 0.09 0.34 0.70 0.00 0.00 175.22 176.70 3hlm s ASP 243 N 0.16 5.24 -0.68 1.36 -1.08 0.35 -0.26 116.67 121.77 3hlm s ASP 243 Ca 0.23 -0.33 0.05 0.00 -0.52 0.00 0.00 52.55 51.98 3hlm s ASP 243 Cb -0.15 -1.94 0.17 0.00 -1.46 0.00 0.00 42.92 39.54 3hlm s ASP 243 CO 0.10 -0.09 0.50 0.80 0.52 0.00 0.00 175.17 176.99 3hlm n MET 244 N 4.93 1.71 0.00 4.34 0.00 0.94 -0.42 117.12 128.62 3hlm n MET 244 Ca -0.15 -4.37 0.12 0.00 -0.00 0.00 0.00 57.70 53.30 3hlm n MET 244 Cb 0.50 -2.22 0.33 0.00 0.00 0.00 0.00 33.22 31.83 3hlm n MET 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hlm n ALA 245 N 1.98 3.31 -0.77 -5.12 0.00 -1.26 -3.06 120.51 115.58 3hlm n ALA 245 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.37 3hlm n ALA 245 Cb 0.37 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.67 3hlm n ALA 245 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hlm n TYR 246 N -1.44 0.00 -1.58 0.00 4.01 -1.26 -4.60 117.16 112.29 3hlm n TYR 246 Ca 0.06 -0.48 -0.52 0.00 -0.16 0.00 0.00 57.90 56.80 3hlm n TYR 246 Cb 0.33 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.24 3hlm n TYR 246 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3hlm n GLN 247 N -0.61 1.04 0.00 -0.72 7.27 -1.26 -0.57 117.38 122.53 3hlm n GLN 247 Ca 0.05 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.49 3hlm n GLN 247 Cb 0.47 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.13 3hlm n GLN 247 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hlm n GLY 248 N 2.38 1.76 0.19 1.69 0.00 -1.26 -4.62 105.19 105.33 3hlm n GLY 248 Ca 0.18 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3hlm n GLY 248 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hlm h PHE 249 N 0.00 0.00 0.63 1.61 3.57 -1.13 0.31 116.94 121.93 3hlm h PHE 249 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3hlm h PHE 249 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 3hlm h PHE 249 CO 0.00 0.33 -0.30 0.00 -2.23 0.00 0.00 178.31 176.10 3hlm h ALA 250 N 1.67 -0.85 0.00 2.41 0.00 -1.65 -3.40 119.26 117.44 3hlm h ALA 250 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3hlm h ALA 250 Cb 0.94 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 3hlm h ALA 250 CO 0.04 -0.87 -0.60 -1.13 0.00 0.00 0.00 179.25 176.69 3hlm n SER 251 N -5.38 1.00 0.00 0.00 3.41 -1.25 -3.62 113.62 107.79 3hlm n SER 251 Ca -0.12 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 3hlm n SER 251 Cb 0.36 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3hlm n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hlm n GLY 252 N -0.25 0.00 3.25 5.00 0.00 0.11 -4.88 105.19 108.42 3hlm n GLY 252 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hlm n GLY 252 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hlm s ASP 253 N -1.86 6.54 0.19 1.61 2.15 -1.26 -4.61 116.67 119.44 3hlm s ASP 253 Ca 0.00 -3.27 0.08 0.00 0.43 0.00 0.00 52.55 49.79 3hlm s ASP 253 Cb 0.00 -2.09 0.63 0.00 -0.30 0.00 0.00 42.92 41.17 3hlm s ASP 253 CO 0.00 -0.35 0.87 0.61 -0.17 0.00 0.00 175.17 176.13 3hlm n GLY 254 N 3.08 -0.53 0.11 2.66 0.00 -1.26 -0.36 105.19 108.89 3hlm n GLY 254 Ca 0.18 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.60 3hlm n GLY 254 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hlm h ASP 255 N 0.00 0.18 0.36 1.61 3.32 -1.95 -2.71 116.42 117.23 3hlm h ASP 255 Ca 0.42 -0.15 -0.24 0.00 0.02 0.00 0.00 57.03 57.08 3hlm h ASP 255 Cb 1.05 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3hlm h ASP 255 CO -0.46 0.98 -1.00 0.50 -1.72 0.00 0.00 179.24 177.55 3hlm h LYS 256 N 0.07 0.41 -0.25 3.56 3.64 -1.12 -2.80 116.57 120.08 3hlm h LYS 256 Ca -0.04 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3hlm h LYS 256 Cb 1.54 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.47 3hlm h LYS 256 CO 0.13 1.14 0.09 -0.44 -2.27 0.00 0.00 179.45 178.09 3hlm h ASP 257 N 0.22 0.10 0.00 4.20 3.32 -1.27 -2.39 116.42 120.59 3hlm h ASP 257 Ca -0.09 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hlm h ASP 257 Cb 1.65 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.21 3hlm h ASP 257 CO 0.17 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3hlm n ALA 258 N -2.27 2.24 -0.08 3.45 0.00 -1.02 -4.38 120.51 118.45 3hlm n ALA 258 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 3hlm n ALA 258 Cb 0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3hlm n ALA 258 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hlm h TRP 259 N 0.00 0.29 -0.32 0.00 7.01 -1.14 -2.63 115.95 119.16 3hlm h TRP 259 Ca 0.00 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.88 3hlm h TRP 259 Cb 0.00 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 3hlm h TRP 259 CO 0.00 0.16 -0.32 0.00 -2.79 0.00 0.00 178.44 175.49 3hlm h ALA 260 N 1.15 0.83 0.12 2.65 0.00 -1.80 -0.83 119.26 121.38 3hlm h ALA 260 Ca 0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hlm h ALA 260 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hlm h ALA 260 CO -0.08 0.64 -0.09 0.28 0.00 0.00 0.00 179.25 180.01 3hlm h VAL 261 N 0.58 0.81 -0.57 0.00 2.07 -1.84 -1.17 116.25 116.12 3hlm h VAL 261 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 3hlm h VAL 261 Cb 0.84 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3hlm h VAL 261 CO 0.07 0.00 0.11 0.03 0.02 0.00 0.00 177.57 177.80 3hlm h ARG 262 N -0.21 0.90 -0.03 1.57 3.08 -1.37 -1.99 114.38 116.33 3hlm h ARG 262 Ca -0.00 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.86 3hlm h ARG 262 Cb 0.19 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3hlm h ARG 262 CO -0.01 0.83 -0.08 1.25 -1.07 0.00 0.00 179.97 180.89 3hlm h HIS 263 N 0.86 -0.19 -0.98 3.04 2.76 -0.88 0.09 115.15 119.85 3hlm h HIS 263 Ca 0.18 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3hlm h HIS 263 Cb 0.35 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.33 3hlm h HIS 263 CO 0.02 -0.12 0.63 0.74 -1.30 0.00 0.00 177.93 177.90 3hlm h PHE 264 N -0.12 1.16 0.75 5.26 -1.00 -0.50 0.78 116.94 123.27 3hlm h PHE 264 Ca 0.04 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 3hlm h PHE 264 Cb 0.18 -0.38 0.01 0.00 3.61 0.00 0.00 35.95 39.37 3hlm h PHE 264 CO -0.16 0.58 -0.36 0.82 -1.61 0.00 0.00 178.31 177.58 3hlm h ILE 265 N 1.12 0.00 -1.50 -0.55 2.04 -1.08 -1.97 117.51 115.57 3hlm h ILE 265 Ca 0.43 -0.04 0.47 0.00 1.00 0.00 0.00 64.86 66.72 3hlm h ILE 265 Cb 0.20 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.18 3hlm h ILE 265 CO -0.18 0.00 1.02 -0.08 0.00 0.00 0.00 178.15 178.91 3hlm h GLU 266 N -1.05 0.05 0.00 2.37 4.81 -0.52 0.42 114.58 120.66 3hlm h GLU 266 Ca -0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3hlm h GLU 266 Cb 0.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3hlm h GLU 266 CO 0.17 0.03 0.00 1.04 -0.73 0.00 0.00 179.01 179.52 3hlm n GLN 267 N -4.42 0.14 0.00 1.92 1.13 0.23 -4.89 117.38 111.49 3hlm n GLN 267 Ca 0.38 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 3hlm n GLN 267 Cb 1.59 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 30.25 3hlm n GLN 267 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hlm n GLY 268 N 0.94 1.31 3.30 1.08 0.00 0.15 -5.07 105.19 106.90 3hlm n GLY 268 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3hlm n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hlm s ILE 269 N -2.00 3.65 -0.92 -0.61 1.01 -0.77 -5.02 121.20 116.54 3hlm s ILE 269 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 3hlm s ILE 269 Cb 0.00 -2.87 0.08 0.00 0.01 0.00 0.00 42.46 39.68 3hlm s ILE 269 CO 0.00 0.12 1.26 0.20 0.00 0.00 0.00 174.94 176.52 3hlm s ASN 270 N 1.45 6.48 0.97 3.58 0.01 -1.26 -3.36 114.94 122.81 3hlm s ASN 270 Ca 0.02 -1.52 -0.16 0.00 -0.71 0.00 0.00 52.86 50.49 3hlm s ASN 270 Cb -0.17 -2.49 0.19 0.00 0.41 0.00 0.00 41.25 39.19 3hlm s ASN 270 CO 0.00 -1.37 1.27 0.68 -1.51 0.00 0.00 177.10 176.17 3hlm s VAL 271 N 4.09 1.95 0.09 1.60 -7.23 -1.26 -4.71 120.40 114.93 3hlm s VAL 271 Ca 0.37 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.59 3hlm s VAL 271 Cb -0.05 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 3hlm s VAL 271 CO -0.05 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.61 3hlm s LEU 273 N -2.15 0.42 -0.22 0.00 2.96 -0.46 0.14 118.68 119.37 3hlm s LEU 273 Ca 0.03 0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 54.36 3hlm s LEU 273 Cb -0.06 0.65 -0.02 0.00 0.50 0.00 0.00 46.19 47.25 3hlm s LEU 273 CO 0.02 -0.17 0.02 0.00 -1.32 0.00 0.00 176.35 174.90 3hlm s GLN 275 N 1.28 2.62 0.22 0.00 -0.21 -0.66 -0.04 119.66 122.86 3hlm s GLN 275 Ca 0.04 -0.69 0.11 0.00 0.02 0.00 0.00 55.36 54.84 3hlm s GLN 275 Cb -0.15 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 3hlm s GLN 275 CO 0.02 0.61 -0.22 0.45 -2.12 0.00 0.00 175.29 174.02 3hlm s SER 276 N -1.48 3.42 -0.01 5.90 0.15 -1.17 -2.28 113.70 118.23 3hlm s SER 276 Ca 0.18 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.91 3hlm s SER 276 Cb -0.11 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 3hlm s SER 276 CO 0.08 0.08 0.76 -1.22 1.20 0.00 0.00 173.24 174.14 3hlm n TYR 277 N -0.05 0.00 0.04 3.44 4.02 -0.96 -4.78 117.16 118.87 3hlm n TYR 277 Ca -0.10 -0.25 0.01 0.00 -0.01 0.00 0.00 57.90 57.55 3hlm n TYR 277 Cb 0.58 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.89 3hlm n TYR 277 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hlm n ALA 278 N -0.27 1.07 0.00 -0.72 0.00 -1.26 -2.33 120.51 117.00 3hlm n ALA 278 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hlm n ALA 278 Cb 0.42 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3hlm n ALA 278 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hlm n ASN 280 N -1.48 0.00 0.00 0.00 6.94 -1.26 -1.58 115.26 117.87 3hlm n ASN 280 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3hlm n ASN 280 Cb 0.01 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 3hlm n ASN 280 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3hlm n MET 281 N 0.00 0.00 -1.89 -3.83 2.81 -1.16 -4.88 117.12 108.17 3hlm n MET 281 Ca 0.00 -0.21 -0.18 0.00 -1.81 0.00 0.00 57.70 55.50 3hlm n MET 281 Cb 0.00 -0.33 -0.05 0.00 -0.71 0.00 0.00 33.22 32.13 3hlm n MET 281 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hlm n GLY 282 N 0.00 0.84 0.17 3.03 0.00 -0.71 -4.74 105.19 103.78 3hlm n GLY 282 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3hlm n GLY 282 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hlm n LEU 283 N -2.52 0.59 0.00 0.99 4.77 -0.62 -4.75 117.00 115.47 3hlm n LEU 283 Ca -0.20 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3hlm n LEU 283 Cb 0.63 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3hlm n LEU 283 CO 0.27 0.10 0.00 -1.22 -1.33 0.00 0.00 177.39 175.21 3hlm n TYR 284 N -0.72 0.00 0.55 -1.77 4.01 -1.02 -0.44 117.16 117.77 3hlm n TYR 284 Ca 0.18 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.97 3hlm n TYR 284 Cb 0.26 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.47 3hlm n TYR 284 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hlm n GLY 285 N 0.00 1.23 0.46 2.72 0.00 -1.26 -2.50 105.19 105.84 3hlm n GLY 285 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3hlm n GLY 285 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hlm n GLU 286 N 0.55 1.56 -2.97 1.61 -0.58 0.42 -5.07 120.64 116.16 3hlm n GLU 286 Ca 0.13 -1.04 -0.11 0.00 -0.42 0.00 0.00 57.16 55.73 3hlm n GLU 286 Cb 0.45 -1.28 0.01 0.00 -0.57 0.00 0.00 31.44 30.05 3hlm n GLU 286 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hlm n ARG 287 N 0.25 -2.38 -3.93 3.49 5.12 -1.04 -4.40 116.66 113.76 3hlm n ARG 287 Ca 0.08 2.04 -0.29 0.00 -1.93 0.00 0.00 57.85 57.74 3hlm n ARG 287 Cb 0.36 -4.42 -0.16 0.00 -1.16 0.00 0.00 32.46 27.08 3hlm n ARG 287 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hlm s VAL 288 N -1.95 1.38 0.00 1.55 1.01 -1.26 -3.03 120.40 118.09 3hlm s VAL 288 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3hlm s VAL 288 Cb -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3hlm s VAL 288 CO 0.71 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3hlm n GLY 289 N 4.76 3.38 3.40 4.51 0.00 -0.95 -2.26 105.19 118.04 3hlm n GLY 289 Ca -0.13 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3hlm n GLY 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hlm s ALA 290 N -1.64 -1.37 0.07 4.61 0.00 -0.97 -1.44 121.76 121.03 3hlm s ALA 290 Ca 0.00 0.90 0.09 0.00 0.00 0.00 0.00 51.96 52.96 3hlm s ALA 290 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3hlm s ALA 290 CO 0.00 -0.33 -0.26 0.12 0.00 0.00 0.00 175.76 175.29 3hlm s PHE 291 N -1.29 2.25 -0.05 0.00 5.36 0.11 -1.66 117.98 122.71 3hlm s PHE 291 Ca -0.12 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.42 3hlm s PHE 291 Cb -0.02 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 3hlm s PHE 291 CO 0.07 0.17 0.11 0.99 -1.46 0.00 0.00 175.22 175.11 3hlm s THR 292 N -0.87 -0.02 -0.05 0.12 2.01 -0.79 -0.62 115.64 115.42 3hlm s THR 292 Ca 0.12 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.26 3hlm s THR 292 Cb -0.10 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 3hlm s THR 292 CO 0.03 0.04 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.08 3hlm s VAL 293 N 0.58 1.88 -0.11 3.82 1.01 0.18 -1.35 120.40 126.41 3hlm s VAL 293 Ca -0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3hlm s VAL 293 Cb -0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3hlm s VAL 293 CO -0.02 0.53 0.14 -0.69 0.00 0.00 0.00 175.10 175.06 3hlm s VAL 294 N -0.15 5.49 0.23 2.92 1.01 -0.71 -1.38 120.40 127.80 3hlm s VAL 294 Ca -0.02 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.17 3hlm s VAL 294 Cb -0.13 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3hlm s VAL 294 CO 0.03 0.59 -0.04 0.00 0.00 0.00 0.00 175.10 175.67 3hlm h LYS 296 N 2.49 0.91 -4.05 0.00 3.64 -1.96 -3.44 116.57 114.16 3hlm h LYS 296 Ca -0.38 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 58.72 3hlm h LYS 296 Cb 1.22 -0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.75 3hlm h LYS 296 CO 0.65 0.60 -0.20 0.16 -2.27 0.00 0.00 179.45 178.39 3hlm s ASP 297 N -5.75 0.64 0.14 4.20 1.47 -1.26 -4.97 116.67 111.13 3hlm s ASP 297 Ca -0.13 -1.36 -0.17 0.00 1.18 0.00 0.00 52.55 52.07 3hlm s ASP 297 Cb 0.18 0.63 -0.01 0.00 -0.34 0.00 0.00 42.92 43.38 3hlm s ASP 297 CO 0.79 -1.24 1.76 0.00 0.68 0.00 0.00 175.17 177.16 3hlm h ALA 298 N 2.18 0.45 -0.66 2.11 0.00 -1.82 -1.27 119.26 120.25 3hlm h ALA 298 Ca -0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3hlm h ALA 298 Cb 1.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3hlm h ALA 298 CO 0.39 -0.04 0.22 1.49 0.00 0.00 0.00 179.25 181.30 3hlm h GLU 299 N 0.45 1.00 -0.05 0.00 4.22 -1.97 -2.22 114.58 116.01 3hlm h GLU 299 Ca 0.13 -0.19 -0.15 0.00 0.08 0.00 0.00 59.36 59.22 3hlm h GLU 299 Cb 0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3hlm h GLU 299 CO -0.02 0.85 -0.65 1.49 -2.18 0.00 0.00 179.01 178.49 3hlm h GLU 300 N 0.97 0.22 -0.75 1.92 4.81 -1.89 -2.43 114.58 117.42 3hlm h GLU 300 Ca 0.22 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3hlm h GLU 300 Cb 0.26 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3hlm h GLU 300 CO -0.01 0.80 0.39 0.00 -0.73 0.00 0.00 179.01 179.45 3hlm h ALA 301 N 1.16 1.26 -0.70 2.92 0.00 -0.73 -1.65 119.26 121.52 3hlm h ALA 301 Ca -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hlm h ALA 301 Cb 1.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3hlm h ALA 301 CO 0.10 0.58 0.43 0.87 0.00 0.00 0.00 179.25 181.23 3hlm h LYS 302 N 1.06 0.81 0.58 0.00 1.57 -0.93 0.49 116.57 120.15 3hlm h LYS 302 Ca 0.26 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3hlm h LYS 302 Cb 0.07 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hlm h LYS 302 CO -0.04 0.54 -0.28 0.00 -0.57 0.00 0.00 179.45 179.10 3hlm h ARG 303 N 0.84 -0.76 -0.88 3.15 3.08 -1.36 -2.26 114.38 116.20 3hlm h ARG 303 Ca 0.28 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.45 3hlm h ARG 303 Cb 0.04 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 3hlm h ARG 303 CO -0.12 -0.50 0.57 0.28 -1.07 0.00 0.00 179.97 179.13 3hlm h VAL 304 N -0.79 1.06 -0.39 2.04 2.07 -1.14 -2.72 116.25 116.38 3hlm h VAL 304 Ca -0.08 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hlm h VAL 304 Cb 0.60 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3hlm h VAL 304 CO 0.13 0.18 0.24 -0.08 0.02 0.00 0.00 177.57 178.06 3hlm h GLU 305 N 0.99 0.53 -0.48 1.57 4.81 -0.70 -0.37 114.58 120.92 3hlm h GLU 305 Ca 0.38 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 3hlm h GLU 305 Cb 0.20 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3hlm h GLU 305 CO -0.14 0.39 0.32 0.66 -0.73 0.00 0.00 179.01 179.51 3hlm h SER 306 N 0.51 0.47 0.89 1.04 4.64 -1.11 0.17 113.55 120.16 3hlm h SER 306 Ca 0.14 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.26 3hlm h SER 306 Cb -0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3hlm h SER 306 CO -0.03 0.32 -1.19 1.56 -0.87 0.00 0.00 176.83 176.63 3hlm h GLN 307 N 0.54 0.00 -0.37 4.77 1.08 -1.08 -1.86 115.11 118.19 3hlm h GLN 307 Ca 0.20 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.27 3hlm h GLN 307 Cb 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3hlm h GLN 307 CO -0.05 0.57 -0.29 -0.07 -0.95 0.00 0.00 178.83 178.04 3hlm h LEU 308 N 0.00 0.81 -0.67 1.46 3.38 0.33 -1.60 115.31 119.02 3hlm h LEU 308 Ca -0.12 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.57 3hlm h LEU 308 Cb 1.70 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.18 3hlm h LEU 308 CO 0.08 1.04 0.40 0.11 0.09 0.00 0.00 178.44 180.16 3hlm h LYS 309 N 0.67 0.74 0.00 1.13 1.57 -0.62 0.17 116.57 120.24 3hlm h LYS 309 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3hlm h LYS 309 Cb 0.82 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hlm h LYS 309 CO 0.07 0.49 -0.15 0.82 -0.57 0.00 0.00 179.45 180.11 3hlm h ILE 310 N 0.76 0.44 0.06 1.86 2.04 -1.02 -1.63 117.51 120.02 3hlm h ILE 310 Ca 0.29 -0.83 -0.28 0.00 1.00 0.00 0.00 64.86 65.04 3hlm h ILE 310 Cb 0.10 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3hlm h ILE 310 CO -0.14 0.15 -1.42 -0.07 0.00 0.00 0.00 178.15 176.66 3hlm h LEU 311 N 0.00 0.20 0.02 1.44 3.38 -0.35 -3.38 115.31 116.63 3hlm h LEU 311 Ca -0.00 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.52 3hlm h LEU 311 Cb 0.58 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hlm h LEU 311 CO 0.02 1.23 -0.68 0.40 0.09 0.00 0.00 178.44 179.50 3hlm h ILE 312 N 0.03 1.43 -0.78 1.22 2.04 -0.63 -3.34 117.51 117.48 3hlm h ILE 312 Ca -0.19 -2.17 0.18 0.00 1.00 0.00 0.00 64.86 63.69 3hlm h ILE 312 Cb 1.95 2.68 -0.13 0.00 -0.74 0.00 0.00 36.82 40.57 3hlm h ILE 312 CO 0.13 0.63 0.08 -0.09 0.00 0.00 0.00 178.15 178.91 3hlm h ARG 313 N -0.10 0.15 -0.01 2.37 2.43 -1.48 0.45 114.38 118.20 3hlm h ARG 313 Ca -0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3hlm h ARG 313 Cb 1.41 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3hlm h ARG 313 CO 0.13 0.10 0.00 -2.30 -1.51 0.00 0.00 179.97 176.39 3hlm n PRO 314 N -5.29 1.26 -0.08 0.20 -0.02 -1.26 -0.24 135.00 129.56 3hlm n PRO 314 Ca 0.15 -0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.12 3hlm n PRO 314 Cb 0.52 -1.49 -0.08 0.00 -0.02 0.00 0.00 33.50 32.42 3hlm n PRO 314 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hlm h LEU 315 N 0.90 0.00 -0.49 2.45 3.38 -0.22 -3.46 115.31 117.88 3hlm h LEU 315 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hlm h LEU 315 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hlm h LEU 315 CO 0.00 1.10 -0.03 0.00 0.09 0.00 0.00 178.44 179.61 3hlm n TYR 316 N -4.56 0.00 0.00 1.13 0.18 -0.94 -5.06 117.16 107.91 3hlm n TYR 316 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3hlm n TYR 316 Cb 0.47 0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 3hlm n TYR 316 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 3hlm n SER 317 N 0.00 0.00 -3.58 9.48 7.64 0.66 -4.74 113.62 123.08 3hlm n SER 317 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3hlm n SER 317 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 3hlm n SER 317 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hlm s ASN 318 N 0.00 -0.41 0.67 6.43 2.20 -1.26 -4.43 114.94 118.14 3hlm s ASN 318 Ca 0.00 0.08 -0.08 0.00 -0.94 0.00 0.00 52.86 51.93 3hlm s ASN 318 Cb 0.00 0.49 0.04 0.00 -2.00 0.00 0.00 41.25 39.78 3hlm s ASN 318 CO 0.00 -0.75 1.00 -2.16 -2.94 0.00 0.00 177.10 172.25 3hlm s PRO 319 N -2.71 2.54 0.27 3.55 0.04 -1.26 -5.01 135.00 132.43 3hlm s PRO 319 Ca -0.04 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 3hlm s PRO 319 Cb -0.00 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3hlm s PRO 319 CO -0.04 -1.04 1.04 -1.25 0.04 0.00 0.00 177.00 175.75 3hlm s PRO 320 N -5.20 4.69 -0.02 0.56 0.05 -1.26 -4.67 135.00 129.14 3hlm s PRO 320 Ca 0.58 1.67 -0.23 0.00 0.05 0.00 0.00 61.00 63.06 3hlm s PRO 320 Cb -0.11 -3.17 -0.17 0.00 0.05 0.00 0.00 34.50 31.10 3hlm s PRO 320 CO 0.46 0.30 1.08 1.25 0.05 0.00 0.00 177.00 180.14 3hlm h LEU 321 N 3.84 -0.21 -0.43 -3.56 5.85 -1.94 -3.39 115.31 115.48 3hlm h LEU 321 Ca -0.46 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.03 3hlm h LEU 321 Cb 1.21 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 3hlm h LEU 321 CO 0.67 0.27 -0.28 -1.13 -0.34 0.00 0.00 178.44 177.63 3hlm h ASN 322 N -0.75 -0.93 -0.73 1.25 -1.24 -1.93 -1.36 115.58 109.89 3hlm h ASN 322 Ca -0.02 0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 3hlm h ASN 322 Cb 0.51 0.46 -0.03 0.00 0.73 0.00 0.00 38.32 39.99 3hlm h ASN 322 CO 0.04 -0.29 0.33 1.23 -1.29 0.00 0.00 177.43 177.45 3hlm h GLY 323 N -0.19 1.16 0.76 1.57 0.00 -1.78 -1.68 103.07 102.90 3hlm h GLY 323 Ca 0.19 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3hlm h GLY 323 CO -0.54 0.56 -0.30 0.00 0.00 0.00 0.00 176.54 176.27 3hlm h ALA 324 N 1.29 0.19 0.02 3.60 0.00 -1.47 -0.92 119.26 121.97 3hlm h ALA 324 Ca 0.25 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hlm h ALA 324 Cb 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3hlm h ALA 324 CO -0.03 0.21 -0.46 0.00 0.00 0.00 0.00 179.25 178.98 3hlm h ARG 325 N -0.02 -0.61 -0.66 0.00 3.08 -1.12 0.12 114.38 115.17 3hlm h ARG 325 Ca -0.00 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.20 3hlm h ARG 325 Cb 0.91 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.97 3hlm h ARG 325 CO 0.06 -0.40 -0.34 0.82 -1.07 0.00 0.00 179.97 179.04 3hlm h ILE 326 N -0.63 0.15 0.00 2.04 2.04 -1.23 0.88 117.51 120.76 3hlm h ILE 326 Ca 0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 3hlm h ILE 326 Cb 0.69 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3hlm h ILE 326 CO -0.32 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.50 3hlm h ALA 327 N 1.09 1.09 -0.06 1.87 0.00 -0.73 -1.13 119.26 121.39 3hlm h ALA 327 Ca 0.26 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3hlm h ALA 327 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hlm h ALA 327 CO -0.73 0.42 -0.25 0.00 0.00 0.00 0.00 179.25 178.68 3hlm h ALA 328 N 1.67 0.11 0.04 0.00 0.00 -0.11 -2.06 119.26 118.90 3hlm h ALA 328 Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3hlm h ALA 328 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hlm h ALA 328 CO 0.04 0.11 -0.10 1.15 0.00 0.00 0.00 179.25 180.46 3hlm h THR 329 N -0.25 0.76 -0.35 0.00 2.02 -0.62 0.11 112.91 114.58 3hlm h THR 329 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 3hlm h THR 329 Cb 0.90 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 3hlm h THR 329 CO 0.05 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.31 3hlm h ILE 330 N -0.19 0.70 -0.09 3.11 2.04 -1.31 -3.14 117.51 118.64 3hlm h ILE 330 Ca 0.03 -0.02 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 3hlm h ILE 330 Cb 0.22 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3hlm h ILE 330 CO -0.07 0.01 -0.75 -0.07 0.00 0.00 0.00 178.15 177.27 3hlm h LEU 331 N 0.05 0.57 -1.11 1.44 3.38 -0.88 -2.89 115.31 115.87 3hlm h LEU 331 Ca 0.17 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hlm h LEU 331 Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hlm h LEU 331 CO -0.31 1.13 0.00 0.35 0.09 0.00 0.00 178.44 179.69 3hlm n THR 332 N -3.85 0.16 -3.91 0.22 -2.24 -0.02 -4.71 114.28 99.93 3hlm n THR 332 Ca -0.05 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 3hlm n THR 332 Cb 0.72 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 3hlm n THR 332 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hlm s SER 333 N -1.68 4.36 0.45 3.42 0.15 -1.19 -5.02 113.70 114.19 3hlm s SER 333 Ca 0.34 -3.22 0.29 0.00 0.70 0.00 0.00 55.95 54.06 3hlm s SER 333 Cb 0.19 -1.58 1.38 0.00 -1.71 0.00 0.00 66.02 64.30 3hlm s SER 333 CO 0.28 -0.19 1.67 -0.65 1.20 0.00 0.00 173.24 175.55 3hlm h PRO 334 N 6.19 0.14 0.39 5.44 0.11 -1.84 -0.65 132.00 141.79 3hlm h PRO 334 Ca -0.01 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3hlm h PRO 334 Cb 0.86 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3hlm h PRO 334 CO 0.68 0.09 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.93 3hlm h ASP 335 N 0.14 -0.44 -1.04 -2.05 3.32 -1.95 -1.28 116.42 113.12 3hlm h ASP 335 Ca 0.75 0.02 0.27 0.00 0.02 0.00 0.00 57.03 58.08 3hlm h ASP 335 Cb 2.38 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 41.96 3hlm h ASP 335 CO -0.32 -0.30 0.68 -0.07 -1.72 0.00 0.00 179.24 177.51 3hlm h LEU 336 N -0.56 0.40 0.25 1.55 3.38 -1.41 0.30 115.31 119.22 3hlm h LEU 336 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hlm h LEU 336 Cb 0.40 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hlm h LEU 336 CO 0.09 0.08 -0.12 -0.09 0.09 0.00 0.00 178.44 178.49 3hlm h ARG 337 N 0.36 -0.33 -0.64 1.13 2.43 -1.18 -0.95 114.38 115.20 3hlm h ARG 337 Ca 0.58 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.87 3hlm h ARG 337 Cb 1.54 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 31.06 3hlm h ARG 337 CO -0.26 -0.22 -0.24 1.17 -1.51 0.00 0.00 179.97 178.91 3hlm n LYS 338 N -2.99 -0.14 0.02 0.20 4.81 -0.49 -0.79 118.16 118.78 3hlm n LYS 338 Ca -0.04 0.98 -0.01 0.00 -0.87 0.00 0.00 58.31 58.37 3hlm n LYS 338 Cb 0.13 -1.46 -0.01 0.00 0.02 0.00 0.00 35.03 33.72 3hlm n LYS 338 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3hlm h GLN 339 N 0.00 -0.07 -0.59 1.64 4.15 -0.91 -1.74 115.11 117.60 3hlm h GLN 339 Ca 0.23 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.76 3hlm h GLN 339 Cb 0.39 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.99 3hlm h GLN 339 CO -0.64 -0.04 -0.19 1.87 -1.93 0.00 0.00 178.83 177.90 3hlm n TRP 340 N -2.34 0.11 0.22 3.99 -0.00 -0.37 0.30 117.44 119.36 3hlm n TRP 340 Ca -0.01 0.72 0.09 0.00 -0.00 0.00 0.00 57.50 58.30 3hlm n TRP 340 Cb 0.03 -0.78 0.50 0.00 -0.00 0.00 0.00 31.31 31.06 3hlm n TRP 340 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3hlm h LEU 341 N 0.00 0.00 -0.04 5.87 4.07 -0.68 0.35 115.31 124.87 3hlm h LEU 341 Ca 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.17 3hlm h LEU 341 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3hlm h LEU 341 CO -0.59 0.25 -0.10 1.56 -1.08 0.00 0.00 178.44 178.48 3hlm h GLN 342 N 0.00 0.14 -0.27 1.13 4.20 0.25 -3.11 115.11 117.45 3hlm h GLN 342 Ca -0.00 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.69 3hlm h GLN 342 Cb 0.65 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3hlm h GLN 342 CO 0.03 0.71 0.31 0.93 -0.67 0.00 0.00 178.83 180.14 3hlm h GLU 343 N -0.41 0.00 0.05 1.46 5.08 0.17 0.20 114.58 121.14 3hlm h GLU 343 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 3hlm h GLU 343 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3hlm h GLU 343 CO 0.02 0.00 -1.72 -0.39 -1.00 0.00 0.00 179.01 175.92 3hlm h VAL 344 N 0.00 0.88 -0.65 3.13 -1.51 -1.13 -3.22 116.25 113.75 3hlm h VAL 344 Ca 0.13 -2.65 0.12 0.00 -1.23 0.00 0.00 66.70 63.06 3hlm h VAL 344 Cb 0.75 2.52 -0.09 0.00 -2.13 0.00 0.00 31.29 32.35 3hlm h VAL 344 CO -0.00 0.68 0.20 0.50 -1.23 0.00 0.00 177.57 177.71 3hlm h LYS 345 N 0.03 0.33 0.00 5.19 3.64 -1.11 0.80 116.57 125.45 3hlm h LYS 345 Ca -0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3hlm h LYS 345 Cb 2.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 3hlm h LYS 345 CO 0.10 0.22 0.00 0.41 -2.27 0.00 0.00 179.45 177.91 3hlm n GLY 346 N -1.32 -0.69 0.34 5.01 0.00 -0.08 -0.40 105.19 108.05 3hlm n GLY 346 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3hlm n GLY 346 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hlm n MET 347 N -0.55 0.28 0.20 1.61 2.81 -0.67 -4.18 117.12 116.63 3hlm n MET 347 Ca 0.02 0.09 0.15 0.00 -1.81 0.00 0.00 57.70 56.15 3hlm n MET 347 Cb 0.01 -1.09 0.78 0.00 -0.71 0.00 0.00 33.22 32.20 3hlm n MET 347 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hlm h ALA 348 N -0.24 1.91 0.11 3.04 0.00 -0.70 -2.55 119.26 120.84 3hlm h ALA 348 Ca -0.30 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 3hlm h ALA 348 Cb 1.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hlm h ALA 348 CO -0.12 -0.22 -1.15 -0.44 0.00 0.00 0.00 179.25 177.32 3hlm h ASP 349 N 0.00 0.37 0.02 0.00 3.32 -0.96 -3.08 116.42 116.10 3hlm h ASP 349 Ca 0.07 -0.87 -0.00 0.00 0.02 0.00 0.00 57.03 56.25 3hlm h ASP 349 Cb 0.35 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hlm h ASP 349 CO -0.00 1.51 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.93 3hlm h ARG 350 N -0.40 0.00 0.10 3.56 2.43 -1.65 0.69 114.38 119.12 3hlm h ARG 350 Ca -0.24 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.72 3hlm h ARG 350 Cb 1.66 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.24 3hlm h ARG 350 CO 0.07 0.01 -0.86 0.82 -1.51 0.00 0.00 179.97 178.50 3hlm h ILE 351 N 0.00 1.43 -0.25 1.20 1.08 -1.56 -3.19 117.51 116.22 3hlm h ILE 351 Ca -0.00 -2.38 -0.10 0.00 -0.39 0.00 0.00 64.86 62.00 3hlm h ILE 351 Cb 0.02 2.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 3hlm h ILE 351 CO 0.00 0.69 -0.22 0.40 -0.69 0.00 0.00 178.15 178.33 3hlm h ILE 352 N -0.13 1.31 -0.04 -0.67 2.04 -1.32 -0.58 117.51 118.12 3hlm h ILE 352 Ca -0.14 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.36 3hlm h ILE 352 Cb 1.62 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3hlm h ILE 352 CO 0.16 0.43 0.09 0.77 0.00 0.00 0.00 178.15 179.61 3hlm h SER 353 N 0.30 0.00 0.00 1.72 4.64 -1.00 0.18 113.55 119.39 3hlm h SER 353 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hlm h SER 353 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3hlm h SER 353 CO 0.06 0.00 -1.82 0.80 -0.87 0.00 0.00 176.83 175.00 3hlm n MET 354 N -3.40 0.54 0.22 4.77 0.00 -1.09 -2.27 117.12 115.90 3hlm n MET 354 Ca -0.02 -0.16 0.12 0.00 -0.00 0.00 0.00 57.70 57.64 3hlm n MET 354 Cb 0.17 -1.52 0.31 0.00 0.00 0.00 0.00 33.22 32.19 3hlm n MET 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hlm h ARG 355 N 0.00 0.00 0.00 2.12 3.08 0.65 -2.74 114.38 117.48 3hlm h ARG 355 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 3hlm h ARG 355 Cb 0.91 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 3hlm h ARG 355 CO 0.00 0.08 -2.51 0.25 -1.07 0.00 0.00 179.97 176.72 3hlm n THR 356 N -3.14 1.51 0.18 2.04 -2.24 -0.64 -4.05 114.28 107.94 3hlm n THR 356 Ca 0.03 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.38 3hlm n THR 356 Cb 0.49 -1.60 0.41 0.00 -2.10 0.00 0.00 70.33 67.52 3hlm n THR 356 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3hlm h GLN 357 N -0.39 0.00 0.02 -0.78 4.20 -1.54 0.22 115.11 116.84 3hlm h GLN 357 Ca -0.63 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 57.95 3hlm h GLN 357 Cb 1.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.56 3hlm h GLN 357 CO -0.22 0.00 -0.66 1.25 -0.67 0.00 0.00 178.83 178.53 3hlm h LEU 358 N 0.00 0.06 -0.70 1.46 5.85 -1.65 -3.16 115.31 117.17 3hlm h LEU 358 Ca 0.00 -0.79 -0.04 0.00 0.84 0.00 0.00 57.88 57.89 3hlm h LEU 358 Cb 0.61 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hlm h LEU 358 CO 0.00 1.27 0.28 0.58 -0.34 0.00 0.00 178.44 180.23 3hlm h VAL 359 N -0.90 1.25 -0.83 1.05 2.07 -1.28 -2.48 116.25 115.12 3hlm h VAL 359 Ca -0.17 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.66 3hlm h VAL 359 Cb 1.22 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 3hlm h VAL 359 CO -0.07 0.31 0.49 -1.28 0.02 0.00 0.00 177.57 177.04 3hlm h SER 360 N 1.00 0.72 0.00 0.57 0.87 -0.80 0.42 113.55 116.33 3hlm h SER 360 Ca 0.23 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3hlm h SER 360 Cb 0.21 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3hlm h SER 360 CO -0.02 0.43 0.00 0.59 -0.53 0.00 0.00 176.83 177.30 3hlm n ASN 361 N -4.71 0.00 -0.76 6.23 4.13 -1.13 -2.69 115.26 116.34 3hlm n ASN 361 Ca 0.13 -0.83 0.09 0.00 1.68 0.00 0.00 54.58 55.64 3hlm n ASN 361 Cb 0.24 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.59 3hlm n ASN 361 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3hlm n LEU 362 N -0.98 2.64 -0.14 3.41 4.77 0.11 -2.94 117.00 123.87 3hlm n LEU 362 Ca 0.18 -1.19 -0.27 0.00 -0.03 0.00 0.00 56.01 54.70 3hlm n LEU 362 Cb 0.08 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 3hlm n LEU 362 CO 0.14 0.51 -1.42 0.29 -1.33 0.00 0.00 177.39 175.58 3hlm n LYS 363 N 1.00 0.60 0.00 3.23 5.02 -1.05 -4.10 118.16 122.86 3hlm n LYS 363 Ca 0.12 0.23 0.02 0.00 -2.02 0.00 0.00 58.31 56.66 3hlm n LYS 363 Cb 0.45 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 34.09 3hlm n LYS 363 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hlm n LYS 364 N -4.02 0.06 -4.27 1.97 5.02 -1.11 -4.12 118.16 111.69 3hlm n LYS 364 Ca -0.52 0.27 -0.31 0.00 -2.02 0.00 0.00 58.31 55.72 3hlm n LYS 364 Cb 0.91 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.32 3hlm n LYS 364 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hlm s GLU 365 N -2.63 2.47 -0.91 1.97 0.41 -1.15 -5.06 118.70 113.80 3hlm s GLU 365 Ca 0.04 -0.83 0.01 0.00 -0.41 0.00 0.00 54.97 53.78 3hlm s GLU 365 Cb 0.03 -2.48 0.32 0.00 -1.78 0.00 0.00 34.13 30.22 3hlm s GLU 365 CO 0.07 0.56 1.56 0.41 -0.49 0.00 0.00 175.26 177.37 3hlm n GLY 366 N 0.99 5.94 3.64 -1.39 0.00 -1.26 -4.67 105.19 108.44 3hlm n GLY 366 Ca -0.13 -2.64 -0.28 0.00 0.00 0.00 0.00 46.02 42.96 3hlm n GLY 366 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hlm s SER 367 N -1.95 4.70 -0.01 1.61 0.01 -1.26 -5.07 113.70 111.73 3hlm s SER 367 Ca 0.41 -0.35 0.21 0.00 1.31 0.00 0.00 55.95 57.53 3hlm s SER 367 Cb 0.21 -0.99 -0.26 0.00 0.21 0.00 0.00 66.02 65.18 3hlm s SER 367 CO -0.12 0.13 0.55 -1.54 0.41 0.00 0.00 173.24 172.67 3hlm n SER 368 N 0.27 0.19 -4.67 2.44 3.41 -1.26 -4.75 113.62 109.25 3hlm n SER 368 Ca -0.11 0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.21 3hlm n SER 368 Cb 0.54 1.52 0.07 0.00 -0.26 0.00 0.00 64.21 66.08 3hlm n SER 368 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hlm n HIS 369 N -2.42 1.28 -2.27 7.33 8.25 -1.26 -4.92 115.22 121.20 3hlm n HIS 369 Ca -0.07 0.42 -0.41 0.00 -0.26 0.00 0.00 57.72 57.39 3hlm n HIS 369 Cb 0.65 -2.18 -0.03 0.00 1.12 0.00 0.00 29.99 29.55 3hlm n HIS 369 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hlm s ASN 370 N -1.44 6.95 0.00 0.41 2.47 -1.26 -4.95 114.94 117.12 3hlm s ASN 370 Ca 0.78 2.31 0.03 0.00 0.42 0.00 0.00 52.86 56.41 3hlm s ASN 370 Cb -0.38 -2.60 0.06 0.00 -1.45 0.00 0.00 41.25 36.88 3hlm s ASN 370 CO 0.45 -0.50 0.93 0.79 -3.72 0.00 0.00 177.10 175.05 3hlm n TRP 371 N 2.92 0.00 0.31 0.43 7.02 -1.26 -4.88 117.44 121.97 3hlm n TRP 371 Ca 0.07 -0.09 0.20 0.00 -1.02 0.00 0.00 57.50 56.66 3hlm n TRP 371 Cb 0.44 0.01 0.97 0.00 -2.42 0.00 0.00 31.31 30.30 3hlm n TRP 371 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 3hlm h GLN 372 N 0.13 0.00 -0.20 -0.99 3.07 -1.96 -3.01 115.11 112.15 3hlm h GLN 372 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 3hlm h GLN 372 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.94 3hlm h GLN 372 CO 0.00 0.00 0.12 1.12 0.09 0.00 0.00 178.83 180.17 3hlm h HIS 373 N 0.00 0.27 -0.77 0.06 2.07 -1.88 0.48 115.15 115.37 3hlm h HIS 373 Ca -0.00 -0.00 0.22 0.00 -2.85 0.00 0.00 60.37 57.74 3hlm h HIS 373 Cb 0.24 -0.09 -0.03 0.00 2.57 0.00 0.00 27.41 30.11 3hlm h HIS 373 CO 0.00 0.21 1.00 0.82 -3.07 0.00 0.00 177.93 176.89 3hlm h ILE 374 N 0.25 0.08 0.00 6.12 2.04 -1.85 0.44 117.51 124.58 3hlm h ILE 374 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hlm h ILE 374 Cb 0.02 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3hlm h ILE 374 CO -0.01 0.00 -0.40 0.35 0.00 0.00 0.00 178.15 178.09 3hlm n THR 375 N -3.26 0.00 0.72 -0.27 -2.24 0.30 -4.21 114.28 105.31 3hlm n THR 375 Ca 0.17 -0.34 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3hlm n THR 375 Cb 1.25 0.88 0.32 0.00 -2.10 0.00 0.00 70.33 70.68 3hlm n THR 375 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hlm n ASP 376 N -1.21 0.60 -4.85 3.42 8.00 0.14 -4.86 116.55 117.79 3hlm n ASP 376 Ca 0.01 0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.43 3hlm n ASP 376 Cb 0.08 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 3hlm n ASP 376 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3hlm s GLN 377 N -3.10 3.98 -0.01 -1.24 -0.21 0.78 -4.74 119.66 115.12 3hlm s GLN 377 Ca 0.09 0.57 0.06 0.00 0.02 0.00 0.00 55.36 56.11 3hlm s GLN 377 Cb 0.15 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 3hlm s GLN 377 CO 0.65 0.25 -0.20 0.42 -2.12 0.00 0.00 175.29 174.30 3hlm s ILE 378 N -1.84 2.61 0.08 1.08 1.01 0.26 -4.97 121.20 119.42 3hlm s ILE 378 Ca 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3hlm s ILE 378 Cb -0.12 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.34 3hlm s ILE 378 CO 0.19 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.24 3hlm n GLY 379 N 2.10 -1.49 0.00 6.18 0.00 -1.24 -4.49 105.19 106.26 3hlm n GLY 379 Ca -0.17 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.47 3hlm n GLY 379 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hlm n MET 380 N -1.89 0.54 -4.07 1.61 0.00 -1.26 -4.65 117.12 107.40 3hlm n MET 380 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 3hlm n MET 380 Cb 0.16 -1.35 -0.16 0.00 0.00 0.00 0.00 33.22 31.87 3hlm n MET 380 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3hlm s PHE 381 N -2.00 2.55 -0.16 3.17 0.08 -1.26 -1.23 117.98 119.12 3hlm s PHE 381 Ca 0.18 -1.53 0.01 0.00 0.12 0.00 0.00 56.93 55.72 3hlm s PHE 381 Cb 0.08 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 3hlm s PHE 381 CO 0.14 -0.76 -0.19 0.00 -0.10 0.00 0.00 175.22 174.31 3hlm s PHE 383 N 1.26 2.57 0.04 0.00 0.40 -0.51 -0.07 117.98 121.67 3hlm s PHE 383 Ca 0.03 0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 56.99 3hlm s PHE 383 Cb -0.13 -4.39 -0.28 0.00 0.51 0.00 0.00 43.02 38.73 3hlm s PHE 383 CO -0.11 -1.67 1.00 1.79 0.70 0.00 0.00 175.22 176.93 3hlm h THR 384 N 6.36 1.33 0.00 0.64 1.35 -1.68 -3.46 112.91 117.44 3hlm h THR 384 Ca -0.25 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 3hlm h THR 384 Cb 1.08 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 3hlm h THR 384 CO 1.12 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.85 3hlm n GLY 385 N 1.59 2.66 3.54 5.82 0.00 -1.26 -4.99 105.19 112.54 3hlm n GLY 385 Ca -0.12 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.34 3hlm n GLY 385 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hlm n LEU 386 N 0.00 0.66 -4.88 0.99 4.77 -1.26 -4.96 117.00 112.32 3hlm n LEU 386 Ca 0.00 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.82 3hlm n LEU 386 Cb 0.00 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3hlm n LEU 386 CO 0.00 -1.58 0.63 -0.54 -1.33 0.00 0.00 177.39 174.57 3hlm s LYS 387 N 0.14 3.60 0.25 3.23 1.02 -1.26 -4.28 119.74 122.44 3hlm s LYS 387 Ca 0.87 0.59 -0.05 0.00 0.02 0.00 0.00 55.97 57.40 3hlm s LYS 387 Cb -1.12 -2.18 0.36 0.00 -0.52 0.00 0.00 37.83 34.38 3hlm s LYS 387 CO 0.53 -0.44 1.85 -1.35 -0.92 0.00 0.00 175.35 175.02 3hlm h PRO 388 N -0.06 0.93 -0.80 -1.68 0.11 -1.93 -0.85 132.00 127.71 3hlm h PRO 388 Ca -0.45 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3hlm h PRO 388 Cb 1.19 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3hlm h PRO 388 CO 0.62 0.62 0.52 0.93 -0.21 0.00 0.00 178.00 180.47 3hlm h GLU 389 N 0.96 1.00 -0.69 1.05 3.07 -1.94 0.20 114.58 118.23 3hlm h GLU 389 Ca 0.39 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.19 3hlm h GLU 389 Cb 0.22 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3hlm h GLU 389 CO -0.19 0.66 0.41 1.96 -1.40 0.00 0.00 179.01 180.46 3hlm h GLN 390 N 1.03 0.94 -0.34 2.33 4.20 -1.53 -2.14 115.11 119.60 3hlm h GLN 390 Ca 0.31 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 3hlm h GLN 390 Cb -0.05 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3hlm h GLN 390 CO -0.09 0.66 0.17 0.28 -0.67 0.00 0.00 178.83 179.17 3hlm h VAL 391 N 0.95 1.16 -0.76 -0.54 2.07 -0.16 -2.67 116.25 116.30 3hlm h VAL 391 Ca 0.25 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3hlm h VAL 391 Cb -0.04 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3hlm h VAL 391 CO -0.05 0.17 0.31 -0.33 0.02 0.00 0.00 177.57 177.69 3hlm h GLU 392 N 0.41 1.12 -0.49 1.57 5.08 -0.53 -2.49 114.58 119.26 3hlm h GLU 392 Ca 0.12 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3hlm h GLU 392 Cb 0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3hlm h GLU 392 CO -0.02 0.90 0.15 0.00 -1.00 0.00 0.00 179.01 179.05 3hlm h ARG 393 N 1.10 0.76 -0.91 2.33 3.08 -1.29 -2.35 114.38 117.09 3hlm h ARG 393 Ca 0.25 -0.16 0.17 0.00 0.07 0.00 0.00 59.98 60.31 3hlm h ARG 393 Cb 0.20 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 3hlm h ARG 393 CO -0.02 0.71 0.59 -0.07 -1.07 0.00 0.00 179.97 180.11 3hlm h LEU 394 N 0.65 0.61 0.52 3.04 3.38 -1.10 0.65 115.31 123.06 3hlm h LEU 394 Ca 0.16 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3hlm h LEU 394 Cb 0.27 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hlm h LEU 394 CO -0.01 0.28 -0.25 0.74 0.09 0.00 0.00 178.44 179.29 3hlm h THR 395 N 0.62 0.00 -0.05 0.22 2.02 -1.37 0.28 112.91 114.63 3hlm h THR 395 Ca 0.47 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3hlm h THR 395 Cb 0.87 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3hlm h THR 395 CO -0.22 0.00 -0.09 0.11 0.37 0.00 0.00 175.52 175.69 3hlm h LYS 396 N -1.10 -0.12 0.11 6.66 1.79 -1.19 -2.60 116.57 120.12 3hlm h LYS 396 Ca -0.07 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 3hlm h LYS 396 Cb 0.54 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3hlm h LYS 396 CO 0.12 -0.08 -0.05 0.93 -1.08 0.00 0.00 179.45 179.28 3hlm h GLU 397 N -0.13 -0.15 0.00 3.15 5.08 0.14 -3.42 114.58 119.26 3hlm h GLU 397 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hlm h GLU 397 Cb 0.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hlm h GLU 397 CO -0.13 -0.10 -0.92 1.19 -1.00 0.00 0.00 179.01 178.05 3hlm n PHE 398 N -3.49 0.41 -3.49 4.33 3.72 -0.50 -4.97 117.46 113.47 3hlm n PHE 398 Ca -0.02 0.12 -0.18 0.00 -0.05 0.00 0.00 57.45 57.32 3hlm n PHE 398 Cb 0.06 -0.55 0.08 0.00 -0.94 0.00 0.00 39.48 38.13 3hlm n PHE 398 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hlm n SER 399 N -2.08 -2.34 -4.27 4.37 7.64 0.79 -4.66 113.62 113.09 3hlm n SER 399 Ca 0.02 -0.64 -0.38 0.00 1.01 0.00 0.00 58.87 58.88 3hlm n SER 399 Cb 0.45 -4.97 -0.12 0.00 -1.01 0.00 0.00 64.21 58.56 3hlm n SER 399 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hlm s VAL 400 N -3.40 3.81 -0.25 0.44 1.01 -0.08 -1.47 120.40 120.47 3hlm s VAL 400 Ca 0.06 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 3hlm s VAL 400 Cb -0.03 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 3hlm s VAL 400 CO 0.74 -0.24 0.17 -0.31 0.00 0.00 0.00 175.10 175.46 3hlm s TYR 401 N 1.39 3.30 0.34 5.22 1.51 -0.72 -3.43 117.35 124.96 3hlm s TYR 401 Ca -0.01 0.21 -0.14 0.00 -1.01 0.00 0.00 57.07 56.12 3hlm s TYR 401 Cb -0.20 -2.29 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3hlm s TYR 401 CO 0.02 0.03 0.68 0.00 -1.11 0.00 0.00 175.55 175.17 3hlm s MET 402 N 1.17 1.99 0.34 -0.62 0.23 -1.26 -0.52 119.30 120.63 3hlm s MET 402 Ca 0.07 -1.37 -0.13 0.00 -1.03 0.00 0.00 55.69 53.24 3hlm s MET 402 Cb -0.14 0.57 -0.08 0.00 -1.53 0.00 0.00 34.83 33.65 3hlm s MET 402 CO 0.06 -0.90 0.73 0.95 -2.03 0.00 0.00 175.02 173.83 3hlm s THR 403 N -3.03 4.73 0.28 3.16 -4.23 -1.24 -4.95 115.64 110.36 3hlm s THR 403 Ca 0.18 0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 61.46 3hlm s THR 403 Cb -0.04 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.38 3hlm s THR 403 CO 0.12 -0.29 1.92 0.11 -0.54 0.00 0.00 174.62 175.94 3hlm h LYS 404 N 1.94 1.10 0.00 3.99 1.57 -1.94 -1.35 116.57 121.88 3hlm h LYS 404 Ca -0.48 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 3hlm h LYS 404 Cb 1.18 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3hlm h LYS 404 CO 0.65 0.78 0.00 -0.40 -0.57 0.00 0.00 179.45 179.91 3hlm n ASP 405 N -4.37 0.00 -0.06 0.86 5.75 -1.26 -4.33 116.55 113.14 3hlm n ASP 405 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.86 3hlm n ASP 405 Cb 0.08 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3hlm n ASP 405 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hlm n GLY 406 N -0.66 0.48 3.73 6.12 0.00 -0.51 -4.85 105.19 109.50 3hlm n GLY 406 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3hlm n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hlm s ARG 407 N -0.82 4.66 0.08 1.61 3.52 -1.25 -1.78 118.95 124.98 3hlm s ARG 407 Ca 0.00 1.58 0.09 0.00 -0.13 0.00 0.00 55.73 57.27 3hlm s ARG 407 Cb 0.00 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3hlm s ARG 407 CO 0.00 0.17 -0.23 0.96 -0.81 0.00 0.00 175.30 175.39 3hlm s ILE 408 N -0.19 1.88 -0.49 4.11 -4.36 0.89 -3.70 121.20 119.35 3hlm s ILE 408 Ca 0.48 -1.48 -0.17 0.00 -0.26 0.00 0.00 60.65 59.21 3hlm s ILE 408 Cb -0.26 -1.66 0.06 0.00 1.25 0.00 0.00 42.46 41.85 3hlm s ILE 408 CO 0.32 0.10 0.52 -0.55 0.24 0.00 0.00 174.94 175.58 3hlm s SER 409 N -1.65 6.19 0.26 4.36 0.15 -0.61 -0.23 113.70 122.16 3hlm s SER 409 Ca 0.09 -1.08 -0.04 0.00 0.70 0.00 0.00 55.95 55.62 3hlm s SER 409 Cb -0.10 -2.24 0.36 0.00 -1.71 0.00 0.00 66.02 62.33 3hlm s SER 409 CO 0.04 -0.78 1.88 0.58 1.20 0.00 0.00 173.24 176.16 3hlm h VAL 410 N 5.81 1.11 -1.04 4.45 2.07 -1.50 -0.74 116.25 126.41 3hlm h VAL 410 Ca -0.28 -0.40 0.30 0.00 0.82 0.00 0.00 66.70 67.14 3hlm h VAL 410 Cb 1.10 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3hlm h VAL 410 CO 0.92 0.21 1.01 0.00 0.02 0.00 0.00 177.57 179.74 3hlm h ALA 411 N 1.43 2.92 -0.01 1.67 0.00 -1.93 0.22 119.26 123.56 3hlm h ALA 411 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hlm h ALA 411 Cb 0.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hlm h ALA 411 CO -0.15 -1.55 -0.11 0.41 0.00 0.00 0.00 179.25 177.84 3hlm n GLY 412 N -1.70 -0.70 3.47 0.00 0.00 -0.28 -4.16 105.19 101.81 3hlm n GLY 412 Ca 0.23 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3hlm n GLY 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hlm s VAL 413 N -2.35 4.95 1.03 1.61 1.01 0.78 -4.70 120.40 122.74 3hlm s VAL 413 Ca 0.31 -2.50 -0.12 0.00 0.00 0.00 0.00 61.98 59.67 3hlm s VAL 413 Cb 0.20 -4.92 0.21 0.00 0.00 0.00 0.00 36.38 31.88 3hlm s VAL 413 CO 0.45 -1.64 1.08 0.42 0.00 0.00 0.00 175.10 175.41 3hlm s THR 414 N 1.83 2.15 0.09 3.92 -4.23 -1.26 -4.76 115.64 113.38 3hlm s THR 414 Ca 0.42 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 3hlm s THR 414 Cb -0.03 -2.17 -0.25 0.00 1.34 0.00 0.00 72.50 71.40 3hlm s THR 414 CO -0.00 -0.06 1.19 0.77 -0.54 0.00 0.00 174.62 175.97 3hlm h SER 415 N -2.19 0.52 0.00 3.99 4.64 -1.95 0.12 113.55 118.68 3hlm h SER 415 Ca -0.53 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 3hlm h SER 415 Cb 1.30 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hlm h SER 415 CO 0.48 1.34 0.00 0.61 -0.87 0.00 0.00 176.83 178.39 3hlm n GLY 416 N 1.32 0.35 0.00 -0.77 0.00 -1.26 -3.17 105.19 101.66 3hlm n GLY 416 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hlm n GLY 416 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hlm n ASN 417 N 0.03 0.00 -0.25 1.61 2.85 -1.18 -4.87 115.26 113.45 3hlm n ASN 417 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 3hlm n ASN 417 Cb 0.08 0.00 0.41 0.00 1.24 0.00 0.00 39.78 41.51 3hlm n ASN 417 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3hlm h VAL 418 N 0.00 0.81 -0.04 3.44 3.04 -0.71 -1.95 116.25 120.84 3hlm h VAL 418 Ca 0.00 -0.22 0.02 0.00 -1.01 0.00 0.00 66.70 65.49 3hlm h VAL 418 Cb 0.00 0.13 -0.05 0.00 -2.01 0.00 0.00 31.29 29.36 3hlm h VAL 418 CO 0.00 0.12 -0.46 1.23 -1.01 0.00 0.00 177.57 177.44 3hlm h GLY 419 N 0.63 -1.17 0.31 3.17 0.00 -1.86 -2.08 103.07 102.07 3hlm h GLY 419 Ca 0.44 0.67 0.17 0.00 0.00 0.00 0.00 47.33 48.61 3hlm h GLY 419 CO -0.19 -0.27 0.61 -1.82 0.00 0.00 0.00 176.54 174.86 3hlm h TYR 420 N -0.55 0.90 0.13 5.60 3.20 -1.72 -2.94 116.97 121.59 3hlm h TYR 420 Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3hlm h TYR 420 Cb 0.60 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3hlm h TYR 420 CO -0.52 0.26 -0.06 1.25 -1.64 0.00 0.00 178.16 177.44 3hlm h LEU 421 N 0.70 -0.15 -1.00 2.82 5.85 -0.89 -3.05 115.31 119.58 3hlm h LEU 421 Ca 0.51 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.43 3hlm h LEU 421 Cb 0.87 0.04 -0.19 0.00 0.37 0.00 0.00 40.66 41.75 3hlm h LEU 421 CO -0.27 -0.09 -0.26 0.00 -0.34 0.00 0.00 178.44 177.47 3hlm h ALA 422 N -1.89 0.63 -1.02 1.25 0.00 -1.39 1.23 119.26 118.08 3hlm h ALA 422 Ca -0.02 0.38 0.27 0.00 0.00 0.00 0.00 54.91 55.55 3hlm h ALA 422 Cb 0.14 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3hlm h ALA 422 CO 0.03 -0.39 0.69 1.25 0.00 0.00 0.00 179.25 180.83 3hlm h HIS 423 N -0.00 0.35 -0.22 0.00 -0.00 -1.54 0.84 115.15 114.58 3hlm h HIS 423 Ca 0.47 0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.69 3hlm h HIS 423 Cb 0.72 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3hlm h HIS 423 CO -0.78 0.05 -0.54 0.00 -0.00 0.00 0.00 177.93 176.66 3hlm h ALA 424 N 1.56 0.63 -0.01 5.26 0.00 0.17 -2.85 119.26 124.02 3hlm h ALA 424 Ca 0.53 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3hlm h ALA 424 Cb 1.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3hlm h ALA 424 CO -0.15 0.69 -0.88 0.82 0.00 0.00 0.00 179.25 179.73 3hlm h ILE 425 N 0.50 1.44 -0.27 0.00 2.04 -0.71 -2.94 117.51 117.58 3hlm h ILE 425 Ca 0.01 -2.49 0.07 0.00 1.00 0.00 0.00 64.86 63.45 3hlm h ILE 425 Cb 1.11 2.40 -0.07 0.00 -0.74 0.00 0.00 36.82 39.52 3hlm h ILE 425 CO 0.11 0.73 -0.20 -0.74 0.00 0.00 0.00 178.15 178.05 3hlm h HIS 426 N 0.17 -0.53 -0.38 1.37 2.76 -1.30 -1.27 115.15 115.97 3hlm h HIS 426 Ca -0.06 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3hlm h HIS 426 Cb 1.50 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 30.72 3hlm h HIS 426 CO 0.04 -0.28 0.19 1.96 -1.30 0.00 0.00 177.93 178.54 3hlm h GLN 427 N -0.19 0.53 -0.14 5.26 1.08 -1.33 0.15 115.11 120.46 3hlm h GLN 427 Ca 0.15 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hlm h GLN 427 Cb 0.42 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3hlm h GLN 427 CO -0.38 0.41 0.00 1.33 -0.95 0.00 0.00 178.83 179.24 3hlm n VAL 428 N -4.41 0.18 -0.03 -0.54 0.24 -1.13 -4.27 118.33 108.36 3hlm n VAL 428 Ca 0.03 -0.59 0.01 0.00 -2.04 0.00 0.00 64.34 61.74 3hlm n VAL 428 Cb 0.12 1.28 -0.09 0.00 -1.47 0.00 0.00 33.84 33.68 3hlm n VAL 428 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3hlm n THR 429 N 1.27 0.36 0.00 3.34 5.66 -0.49 -4.93 114.28 119.49 3hlm n THR 429 Ca 0.14 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 3hlm n THR 429 Cb 0.55 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 3hlm n THR 429 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31