#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 -0.00 0.27 -3.46 0.15 -1.26 -5.01 113.70 104.39 3hlm s SER 31 Ca 0.00 -0.02 0.14 0.00 0.70 0.00 0.00 55.95 56.78 3hlm s SER 31 Cb 0.00 0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.40 3hlm s SER 31 CO 0.00 -0.03 1.44 -0.50 1.20 0.00 0.00 173.24 175.35 3hlm h TRP 32 N 2.00 0.00 0.00 3.44 4.06 -2.07 -3.38 115.95 120.00 3hlm h TRP 32 Ca -0.31 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 3hlm h TRP 32 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 3hlm h TRP 32 CO 0.51 0.55 -0.16 0.91 -3.56 0.00 0.00 178.44 176.69 3hlm n TRP 33 N -3.26 0.00 -0.13 0.49 7.02 -1.26 -4.65 117.44 115.66 3hlm n TRP 33 Ca 0.02 -0.95 0.02 0.00 -1.02 0.00 0.00 57.50 55.57 3hlm n TRP 33 Cb 0.74 -0.15 0.33 0.00 -2.42 0.00 0.00 31.31 29.81 3hlm n TRP 33 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3hlm h THR 34 N 1.13 1.14 0.00 -0.99 2.02 -1.96 -2.51 112.91 111.75 3hlm h THR 34 Ca -0.01 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3hlm h THR 34 Cb 1.07 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3hlm h THR 34 CO 0.00 0.15 -0.24 0.00 0.37 0.00 0.00 175.52 175.80 3hlm n HIS 35 N -4.45 0.56 -2.10 3.16 1.44 -1.26 -4.81 115.22 107.76 3hlm n HIS 35 Ca 0.06 0.16 -0.43 0.00 -2.01 0.00 0.00 57.72 55.51 3hlm n HIS 35 Cb 0.06 -0.71 -0.03 0.00 0.12 0.00 0.00 29.99 29.44 3hlm n HIS 35 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3hlm s VAL 36 N -3.09 3.66 0.50 0.61 1.01 -0.95 -5.00 120.40 117.13 3hlm s VAL 36 Ca 0.10 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 3hlm s VAL 36 Cb 0.14 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3hlm s VAL 36 CO 0.63 -0.33 0.89 -1.61 0.00 0.00 0.00 175.10 174.68 3hlm s GLU 37 N 4.85 3.74 0.06 2.72 2.02 -1.26 -5.02 118.70 125.82 3hlm s GLU 37 Ca 0.73 0.61 -0.31 0.00 0.02 0.00 0.00 54.97 56.01 3hlm s GLU 37 Cb -0.24 -2.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.66 3hlm s GLU 37 CO 0.30 -0.25 1.57 1.41 0.02 0.00 0.00 175.26 178.32 3hlm s MET 38 N -4.37 4.22 0.90 1.61 -2.45 -1.26 -4.99 119.30 112.96 3hlm s MET 38 Ca 0.53 2.24 -0.11 0.00 -1.25 0.00 0.00 55.69 57.10 3hlm s MET 38 Cb -0.10 -3.53 0.13 0.00 1.25 0.00 0.00 34.83 32.58 3hlm s MET 38 CO 0.39 -0.67 1.09 0.20 1.05 0.00 0.00 175.02 177.08 3hlm s GLY 39 N 2.10 1.62 0.69 2.11 0.00 -1.26 -4.99 107.32 107.60 3hlm s GLY 39 Ca 0.71 -0.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.28 3hlm s GLY 39 CO 0.31 0.47 1.08 2.56 0.00 0.00 0.00 173.10 177.52 3hlm s PRO 40 N -4.90 2.74 0.51 2.90 0.04 -1.26 -4.99 135.00 130.04 3hlm s PRO 40 Ca 0.64 1.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.64 3hlm s PRO 40 Cb -0.18 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3hlm s PRO 40 CO 0.57 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.45 3hlm s PRO 41 N -4.57 3.36 -0.54 0.56 0.04 -1.26 -4.99 135.00 127.60 3hlm s PRO 41 Ca 0.62 2.24 -0.28 0.00 0.04 0.00 0.00 61.00 63.62 3hlm s PRO 41 Cb -0.17 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.00 3hlm s PRO 41 CO 0.48 -1.02 1.31 0.34 0.04 0.00 0.00 177.00 178.15 3hlm s ASP 42 N -0.87 6.32 0.40 6.66 2.15 -1.26 -4.93 116.67 125.14 3hlm s ASP 42 Ca 0.68 0.30 0.10 0.00 0.43 0.00 0.00 52.55 54.05 3hlm s ASP 42 Cb -0.40 -2.55 0.90 0.00 -0.30 0.00 0.00 42.92 40.57 3hlm s ASP 42 CO 0.49 -1.55 1.98 1.55 -0.17 0.00 0.00 175.17 177.47 3hlm h PRO 43 N 10.29 0.54 -0.35 4.34 0.13 -2.00 -1.09 132.00 143.85 3hlm h PRO 43 Ca -0.26 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.69 3hlm h PRO 43 Cb 1.08 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3hlm h PRO 43 CO 1.17 0.36 -0.39 0.82 -0.23 0.00 0.00 178.00 179.72 3hlm h ILE 44 N 0.55 1.28 -0.33 -3.56 2.04 -1.97 -2.67 117.51 112.86 3hlm h ILE 44 Ca 0.27 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 3hlm h ILE 44 Cb 0.35 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3hlm h ILE 44 CO -0.08 0.52 0.03 0.25 0.00 0.00 0.00 178.15 178.86 3hlm h LEU 45 N 0.69 0.45 -0.84 1.44 5.85 -1.62 -2.43 115.31 118.85 3hlm h LEU 45 Ca 0.06 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3hlm h LEU 45 Cb 0.96 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3hlm h LEU 45 CO 0.09 0.50 -0.08 1.23 -0.34 0.00 0.00 178.44 179.84 3hlm h GLY 46 N 0.77 0.84 0.93 3.75 0.00 -1.06 -1.60 103.07 106.69 3hlm h GLY 46 Ca 0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3hlm h GLY 46 CO 0.00 0.57 0.10 -2.08 0.00 0.00 0.00 176.54 175.13 3hlm h VAL 47 N 0.71 1.12 -0.45 4.60 2.07 -1.17 -0.12 116.25 123.01 3hlm h VAL 47 Ca 0.12 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hlm h VAL 47 Cb 0.55 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3hlm h VAL 47 CO 0.03 0.12 0.26 0.74 0.02 0.00 0.00 177.57 178.74 3hlm h THR 48 N 0.20 1.15 -0.25 2.57 2.02 -1.26 0.25 112.91 117.59 3hlm h THR 48 Ca 0.07 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 3hlm h THR 48 Cb 0.10 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3hlm h THR 48 CO -0.01 0.16 -0.42 -0.33 0.37 0.00 0.00 175.52 175.29 3hlm h GLU 49 N 0.59 0.61 -0.31 6.66 5.08 -1.23 -0.17 114.58 125.82 3hlm h GLU 49 Ca 0.16 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3hlm h GLU 49 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hlm h GLU 49 CO -0.03 0.92 0.03 0.00 -1.00 0.00 0.00 179.01 178.93 3hlm h ALA 50 N 1.04 0.41 -0.53 3.43 0.00 -0.87 -2.65 119.26 120.09 3hlm h ALA 50 Ca 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hlm h ALA 50 Cb 0.93 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 3hlm h ALA 50 CO 0.08 0.13 -0.25 0.35 0.00 0.00 0.00 179.25 179.57 3hlm h PHE 51 N 0.34 -0.63 -0.84 0.00 3.57 -0.73 -2.12 116.94 116.52 3hlm h PHE 51 Ca 0.09 0.06 0.14 0.00 3.53 0.00 0.00 57.97 61.79 3hlm h PHE 51 Cb 0.38 0.36 -0.09 0.00 2.79 0.00 0.00 35.95 39.39 3hlm h PHE 51 CO 0.03 -0.33 0.44 0.87 -2.23 0.00 0.00 178.31 177.09 3hlm h LYS 52 N -0.12 0.62 -0.06 1.11 1.57 -0.85 -2.22 116.57 116.62 3hlm h LYS 52 Ca 0.24 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3hlm h LYS 52 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3hlm h LYS 52 CO -0.60 0.41 -0.49 0.00 -0.57 0.00 0.00 179.45 178.19 3hlm h ARG 53 N 0.63 0.15 -6.54 3.15 3.08 -1.09 -3.45 114.38 110.32 3hlm h ARG 53 Ca 0.46 -0.08 -0.54 0.00 0.07 0.00 0.00 59.98 59.89 3hlm h ARG 53 Cb 0.63 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.73 3hlm h ARG 53 CO -0.35 0.61 1.04 -3.47 -1.07 0.00 0.00 179.97 176.73 3hlm n ASP 54 N -3.96 3.88 -1.73 7.04 -0.08 -0.84 -4.87 116.55 116.00 3hlm n ASP 54 Ca -0.02 1.02 0.08 0.00 -1.51 0.00 0.00 54.79 54.36 3hlm n ASP 54 Cb 0.53 -1.53 0.38 0.00 2.34 0.00 0.00 41.12 42.84 3hlm n ASP 54 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3hlm n THR 55 N 4.36 2.52 -2.69 5.18 -2.24 -1.26 -4.93 114.28 115.20 3hlm n THR 55 Ca 0.18 -1.41 -0.43 0.00 -2.27 0.00 0.00 64.05 60.12 3hlm n THR 55 Cb 0.35 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 3hlm n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hlm s ASN 56 N -0.93 6.98 0.60 3.42 3.84 -1.26 -4.93 114.94 122.67 3hlm s ASN 56 Ca 0.53 1.18 0.30 0.00 0.21 0.00 0.00 52.86 55.07 3hlm s ASN 56 Cb 0.39 -2.52 1.64 0.00 -0.55 0.00 0.00 41.25 40.20 3hlm s ASN 56 CO 0.17 -0.73 2.03 0.77 -2.79 0.00 0.00 177.10 176.55 3hlm h SER 57 N 7.75 0.00 0.11 -4.21 4.64 -1.99 -0.44 113.55 119.41 3hlm h SER 57 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3hlm h SER 57 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hlm h SER 57 CO 0.98 0.00 -0.11 0.29 -0.87 0.00 0.00 176.83 177.12 3hlm n LYS 58 N -3.62 1.24 -1.66 4.77 4.76 -1.26 -4.98 118.16 117.42 3hlm n LYS 58 Ca 0.03 -0.70 -0.41 0.00 -2.87 0.00 0.00 58.31 54.36 3hlm n LYS 58 Cb 0.42 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.27 1.57 -4.26 1.97 2.85 -0.18 -4.91 118.16 114.93 3hlm n LYS 59 Ca 0.16 0.56 -0.17 0.00 -1.05 0.00 0.00 58.31 57.81 3hlm n LYS 59 Cb 0.34 -2.23 -0.15 0.00 -0.65 0.00 0.00 35.03 32.35 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 -2.22 0.61 -0.54 -1.58 -1.94 -1.07 -5.02 119.30 107.54 3hlm s MET 60 Ca 0.64 -0.25 -0.07 0.00 -1.71 0.00 0.00 55.69 54.30 3hlm s MET 60 Cb -0.52 -0.59 0.14 0.00 2.01 0.00 0.00 34.83 35.88 3hlm s MET 60 CO 0.56 0.14 0.40 1.21 -0.01 0.00 0.00 175.02 177.32 3hlm s ASN 61 N -0.08 5.65 -0.33 3.03 3.84 -1.26 -1.52 114.94 124.26 3hlm s ASN 61 Ca 0.02 -2.27 0.08 0.00 0.21 0.00 0.00 52.86 50.90 3hlm s ASN 61 Cb -0.04 -1.97 0.71 0.00 -0.55 0.00 0.00 41.25 39.40 3hlm s ASN 61 CO -0.00 -0.57 1.78 0.18 -2.79 0.00 0.00 177.10 175.70 3hlm n LEU 62 N 4.38 6.06 -0.63 3.21 4.77 -0.43 -4.03 117.00 130.33 3hlm n LEU 62 Ca -0.00 -3.17 0.09 0.00 -0.03 0.00 0.00 56.01 52.90 3hlm n LEU 62 Cb 0.41 -0.75 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 3hlm n LEU 62 CO 0.38 0.82 0.47 0.61 -1.33 0.00 0.00 177.39 178.34 3hlm n GLY 63 N -0.26 0.24 3.73 -0.72 0.00 -1.13 0.51 105.19 107.56 3hlm n GLY 63 Ca 0.42 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3hlm n GLY 63 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hlm n VAL 64 N 0.76 0.45 -0.69 1.61 3.14 -1.26 -4.91 118.33 117.43 3hlm n VAL 64 Ca 0.09 -0.11 0.09 0.00 -2.96 0.00 0.00 64.34 61.45 3hlm n VAL 64 Cb 0.42 -1.94 0.37 0.00 -1.06 0.00 0.00 33.84 31.62 3hlm n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hlm n GLY 65 N 3.14 2.85 3.11 7.55 0.00 -1.26 -4.75 105.19 115.83 3hlm n GLY 65 Ca 0.13 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.07 0.63 0.39 4.61 0.00 -1.26 -5.15 121.76 118.92 3hlm s ALA 66 Ca 0.52 -1.27 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 3hlm s ALA 66 Cb 0.35 0.35 -0.11 0.00 0.00 0.00 0.00 23.12 23.72 3hlm s ALA 66 CO 0.22 -0.37 1.26 0.98 0.00 0.00 0.00 175.76 177.86 3hlm n TYR 67 N 0.05 2.14 -3.97 0.00 9.36 -1.26 -4.86 117.16 118.62 3hlm n TYR 67 Ca -0.12 0.52 -0.12 0.00 3.32 0.00 0.00 57.90 61.50 3hlm n TYR 67 Cb 0.61 -2.38 -0.13 0.00 -0.63 0.00 0.00 39.34 36.81 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 -2.06 0.23 0.88 2.98 1.81 -1.26 -4.51 118.95 117.03 3hlm s ARG 68 Ca 0.59 -0.32 -0.11 0.00 -1.72 0.00 0.00 55.73 54.17 3hlm s ARG 68 Cb -0.53 -0.06 0.18 0.00 -0.45 0.00 0.00 34.95 34.08 3hlm s ARG 68 CO 0.60 0.01 1.21 0.16 -0.68 0.00 0.00 175.30 176.60 3hlm s ASP 69 N -0.70 3.50 0.17 0.23 1.47 -0.15 -4.82 116.67 116.37 3hlm s ASP 69 Ca -0.06 0.02 0.09 0.00 1.18 0.00 0.00 52.55 53.78 3hlm s ASP 69 Cb -0.05 -0.16 0.51 0.00 -0.34 0.00 0.00 42.92 42.88 3hlm s ASP 69 CO -0.00 -2.46 1.22 -0.67 0.68 0.00 0.00 175.17 173.94 3hlm n ASP 70 N -3.46 0.24 -1.47 2.11 2.03 -1.26 0.14 116.55 114.89 3hlm n ASP 70 Ca 0.15 0.55 0.08 0.00 0.52 0.00 0.00 54.79 56.10 3hlm n ASP 70 Cb 0.60 -0.56 0.34 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.81 4.81 -3.63 1.67 5.03 -1.26 -4.53 115.26 115.54 3hlm n ASN 71 Ca -0.01 -2.75 -0.23 0.00 0.87 0.00 0.00 54.58 52.46 3hlm n ASN 71 Cb 0.12 -0.59 0.07 0.00 -1.02 0.00 0.00 39.78 38.36 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 0.47 -0.47 3.45 7.41 0.00 0.36 -5.02 105.19 111.40 3hlm n GLY 72 Ca 0.25 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 -6.12 2.10 0.43 1.61 -0.14 -1.25 -4.82 119.74 111.57 3hlm s LYS 73 Ca 0.41 -0.96 -0.26 0.00 -1.36 0.00 0.00 55.97 53.80 3hlm s LYS 73 Cb -0.19 -2.20 -0.09 0.00 -1.68 0.00 0.00 37.83 33.68 3hlm s LYS 73 CO 0.76 0.55 1.42 -2.14 -0.76 0.00 0.00 175.35 175.17 3hlm s PRO 74 N -1.36 3.80 -0.34 -1.68 0.02 -1.26 -0.98 135.00 133.20 3hlm s PRO 74 Ca 0.14 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3hlm s PRO 74 Cb -0.10 -2.73 0.10 0.00 0.02 0.00 0.00 34.50 31.79 3hlm s PRO 74 CO 0.05 -0.72 0.05 -0.47 -0.33 0.00 0.00 177.00 175.58 3hlm s TYR 75 N -1.20 3.70 -0.18 6.54 5.04 -1.26 -4.86 117.35 125.13 3hlm s TYR 75 Ca 0.59 -2.97 -0.29 0.00 -2.44 0.00 0.00 57.07 51.96 3hlm s TYR 75 Cb -0.43 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 38.96 3hlm s TYR 75 CO 0.56 -0.95 1.65 0.08 -1.34 0.00 0.00 175.55 175.55 3hlm s VAL 76 N 0.92 3.64 0.21 3.14 1.01 -1.26 -4.90 120.40 123.17 3hlm s VAL 76 Ca 0.11 0.74 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 3hlm s VAL 76 Cb -0.19 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 3hlm s VAL 76 CO -0.09 -0.23 1.39 0.18 0.00 0.00 0.00 175.10 176.35 3hlm n LEU 77 N 8.29 2.75 0.11 3.92 4.32 -1.26 -4.92 117.00 130.21 3hlm n LEU 77 Ca 0.19 1.13 -0.03 0.00 -0.02 0.00 0.00 56.01 57.28 3hlm n LEU 77 Cb 0.45 -1.38 0.08 0.00 -1.62 0.00 0.00 43.42 40.95 3hlm n LEU 77 CO 0.64 -0.63 0.38 1.55 -1.22 0.00 0.00 177.39 178.12 3hlm h PRO 78 N 4.36 0.02 -0.74 3.23 0.13 -1.99 -1.99 132.00 135.03 3hlm h PRO 78 Ca -0.45 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 64.83 3hlm h PRO 78 Cb 1.29 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 3hlm h PRO 78 CO 0.77 0.75 0.10 0.66 -0.23 0.00 0.00 178.00 180.05 3hlm h SER 79 N 0.01 -0.15 -0.63 1.44 4.64 -1.97 1.43 113.55 118.32 3hlm h SER 79 Ca -0.01 0.17 0.10 0.00 -0.47 0.00 0.00 61.79 61.58 3hlm h SER 79 Cb 1.30 0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 63.57 3hlm h SER 79 CO 0.10 -0.11 0.23 0.58 -0.87 0.00 0.00 176.83 176.76 3hlm h VAL 80 N 0.19 0.73 -0.19 0.95 2.07 -1.80 -2.28 116.25 115.92 3hlm h VAL 80 Ca 0.42 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 3hlm h VAL 80 Cb 0.73 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3hlm h VAL 80 CO -0.58 0.07 -0.20 0.03 0.02 0.00 0.00 177.57 176.92 3hlm h ARG 81 N 0.40 0.32 0.19 1.57 2.47 0.24 0.19 114.38 119.76 3hlm h ARG 81 Ca 0.33 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 3hlm h ARG 81 Cb 0.43 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3hlm h ARG 81 CO -0.34 0.51 -0.09 -0.22 0.56 0.00 0.00 179.97 180.40 3hlm h LYS 82 N 0.30 -0.25 -0.62 0.04 3.64 -0.04 -1.85 116.57 117.79 3hlm h LYS 82 Ca 0.05 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 3hlm h LYS 82 Cb 0.52 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 3hlm h LYS 82 CO 0.03 -0.16 -0.15 0.00 -2.27 0.00 0.00 179.45 176.90 3hlm n ALA 83 N -2.22 0.15 0.29 5.00 0.00 -0.88 0.14 120.51 122.99 3hlm n ALA 83 Ca -0.03 0.68 0.16 0.00 0.00 0.00 0.00 53.44 54.25 3hlm n ALA 83 Cb 0.10 -0.41 0.90 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.11 0.00 5.08 -0.37 -2.14 114.58 117.26 3hlm h GLU 84 Ca 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3hlm h GLU 84 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3hlm h GLU 84 CO -0.64 0.04 -0.05 0.00 -1.00 0.00 0.00 179.01 177.36 3hlm h ALA 85 N 1.96 -0.15 -2.92 3.43 0.00 0.20 -2.93 119.26 118.86 3hlm h ALA 85 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hlm h ALA 85 Cb 0.15 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hlm h ALA 85 CO 0.01 -0.18 0.00 1.04 0.00 0.00 0.00 179.25 180.11 3hlm n GLN 86 N -4.85 0.00 -0.16 0.00 6.02 -0.73 -1.75 117.38 115.92 3hlm n GLN 86 Ca -0.06 0.37 0.13 0.00 -0.01 0.00 0.00 57.00 57.42 3hlm n GLN 86 Cb 0.23 -1.01 0.24 0.00 1.02 0.00 0.00 30.24 30.72 3hlm n GLN 86 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hlm n ILE 87 N -0.90 -0.20 0.44 5.09 5.41 -0.81 0.14 119.36 128.52 3hlm n ILE 87 Ca 0.00 0.99 0.13 0.00 1.00 0.00 0.00 62.75 64.87 3hlm n ILE 87 Cb 0.00 -1.56 0.35 0.00 -0.71 0.00 0.00 39.64 37.72 3hlm n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hlm h ALA 88 N 0.95 1.00 -0.61 -1.39 0.00 -1.14 -2.88 119.26 115.20 3hlm h ALA 88 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hlm h ALA 88 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hlm h ALA 88 CO -0.39 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.86 3hlm n ALA 89 N -1.92 2.64 0.50 0.00 0.00 0.36 -3.62 120.51 118.48 3hlm n ALA 89 Ca 0.04 -1.44 0.06 0.00 0.00 0.00 0.00 53.44 52.10 3hlm n ALA 89 Cb 0.44 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 3hlm n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hlm n LYS 90 N 1.13 1.99 -4.14 0.00 5.02 -1.09 -5.03 118.16 116.04 3hlm n LYS 90 Ca 0.23 -0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 55.54 3hlm n LYS 90 Cb 0.70 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 34.56 3hlm n LYS 90 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hlm n ASN 91 N -0.22 -2.26 -4.76 4.39 4.05 -1.24 -4.95 115.26 110.27 3hlm n ASN 91 Ca 0.05 -1.02 -0.34 0.00 0.45 0.00 0.00 54.58 53.72 3hlm n ASN 91 Cb 0.24 -2.82 0.05 0.00 1.23 0.00 0.00 39.78 38.48 3hlm n ASN 91 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3hlm s LEU 92 N -7.19 3.42 0.00 1.20 1.43 -1.26 -5.05 118.68 111.24 3hlm s LEU 92 Ca 0.48 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 55.61 3hlm s LEU 92 Cb -0.26 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.53 3hlm s LEU 92 CO 0.92 -1.74 0.73 -0.90 0.23 0.00 0.00 176.35 175.59 3hlm n ASP 93 N -2.33 -0.33 -1.33 2.29 5.68 -1.26 -5.05 116.55 114.22 3hlm n ASP 93 Ca 0.11 -1.19 -0.02 0.00 -0.50 0.00 0.00 54.79 53.19 3hlm n ASP 93 Cb 0.51 -0.58 0.11 0.00 -1.14 0.00 0.00 41.12 40.02 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 -2.80 1.80 -2.09 0.11 5.02 -1.26 -5.08 118.16 113.86 3hlm n LYS 94 Ca 0.09 -3.30 -0.32 0.00 -2.02 0.00 0.00 58.31 52.77 3hlm n LYS 94 Cb 0.33 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.78 3.58 0.41 1.97 0.41 -1.26 -4.97 118.70 116.06 3hlm s GLU 95 Ca 0.39 0.98 -0.24 0.00 -0.41 0.00 0.00 54.97 55.69 3hlm s GLU 95 Cb 0.38 -2.08 -0.11 0.00 -1.78 0.00 0.00 34.13 30.54 3hlm s GLU 95 CO -0.06 -0.58 0.87 0.66 -0.49 0.00 0.00 175.26 175.66 3hlm n TYR 96 N -2.14 0.69 -2.34 1.61 4.01 -1.26 -4.99 117.16 112.74 3hlm n TYR 96 Ca 0.07 0.59 -0.26 0.00 -0.16 0.00 0.00 57.90 58.15 3hlm n TYR 96 Cb 0.54 -2.16 0.05 0.00 -0.31 0.00 0.00 39.34 37.45 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 0.22 3.07 0.82 7.72 1.43 -1.26 -5.06 118.68 125.61 3hlm s LEU 97 Ca 0.63 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 3hlm s LEU 97 Cb -0.59 -3.31 0.08 0.00 0.03 0.00 0.00 46.19 42.40 3hlm s LEU 97 CO 0.57 -1.28 1.15 -2.65 0.23 0.00 0.00 176.35 174.37 3hlm n PRO 98 N -2.70 0.13 -0.31 1.29 -0.02 -1.26 -4.83 135.00 127.29 3hlm n PRO 98 Ca 0.06 0.12 0.14 0.00 -2.02 0.00 0.00 63.50 61.80 3hlm n PRO 98 Cb 0.59 -2.40 0.32 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.98 0.50 0.00 4.25 2.04 -1.98 0.17 117.51 121.51 3hlm h ILE 99 Ca -0.46 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3hlm h ILE 99 Cb 1.30 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3hlm h ILE 99 CO 0.45 0.08 0.00 0.61 0.00 0.00 0.00 178.15 179.29 3hlm n GLY 100 N -1.33 -0.84 1.89 5.37 0.00 -1.26 -4.54 105.19 104.48 3hlm n GLY 100 Ca 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.52 -2.18 3.64 -0.02 0.00 0.58 -1.44 105.19 106.28 3hlm n GLY 101 Ca 0.10 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 4.03 0.40 0.99 2.96 -1.26 -4.48 118.68 121.33 3hlm s LEU 102 Ca 0.00 2.23 0.07 0.00 -0.22 0.00 0.00 54.13 56.21 3hlm s LEU 102 Cb 0.00 -3.52 0.85 0.00 0.50 0.00 0.00 46.19 44.01 3hlm s LEU 102 CO 0.00 -1.36 2.03 0.00 -1.32 0.00 0.00 176.35 175.70 3hlm h ALA 103 N 11.92 1.73 -0.43 5.97 0.00 -1.98 -1.37 119.26 135.10 3hlm h ALA 103 Ca -0.44 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 3hlm h ALA 103 Cb 1.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hlm h ALA 103 CO 0.96 0.22 -0.23 1.49 0.00 0.00 0.00 179.25 181.69 3hlm h GLU 104 N 0.59 0.92 0.05 0.00 4.81 -2.00 -0.78 114.58 118.18 3hlm h GLU 104 Ca 0.20 -0.41 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3hlm h GLU 104 Cb 0.06 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3hlm h GLU 104 CO -0.05 1.06 -0.09 0.35 -0.73 0.00 0.00 179.01 179.56 3hlm h PHE 105 N 0.75 -0.22 -0.54 0.92 3.57 -1.60 -2.21 116.94 117.61 3hlm h PHE 105 Ca 0.09 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.71 3hlm h PHE 105 Cb 0.80 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.53 3hlm h PHE 105 CO 0.06 -0.13 -0.15 0.00 -2.23 0.00 0.00 178.31 175.85 3hlm h LYS 107 N -0.02 1.07 -0.73 0.00 3.64 -1.05 -2.44 116.57 117.05 3hlm h LYS 107 Ca 0.26 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 3hlm h LYS 107 Cb 0.41 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3hlm h LYS 107 CO -0.56 1.07 0.34 0.00 -2.27 0.00 0.00 179.45 178.02 3hlm h ALA 108 N 0.97 0.94 -0.59 5.00 0.00 -0.85 -1.98 119.26 122.75 3hlm h ALA 108 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hlm h ALA 108 Cb 0.61 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3hlm h ALA 108 CO 0.04 0.52 0.24 1.03 0.00 0.00 0.00 179.25 181.08 3hlm h SER 109 N 1.03 0.78 1.12 0.00 0.87 -0.09 -0.29 113.55 116.97 3hlm h SER 109 Ca 0.25 -0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 3hlm h SER 109 Cb 0.14 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3hlm h SER 109 CO -0.03 0.69 -0.93 0.00 -0.53 0.00 0.00 176.83 176.04 3hlm h ALA 110 N 1.42 0.64 0.58 6.23 0.00 -1.12 -2.29 119.26 124.72 3hlm h ALA 110 Ca 0.20 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3hlm h ALA 110 Cb 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hlm h ALA 110 CO -0.02 0.81 -0.32 0.93 0.00 0.00 0.00 179.25 180.64 3hlm h GLU 111 N 0.00 -0.81 -0.86 0.00 5.08 -0.60 0.19 114.58 117.58 3hlm h GLU 111 Ca -0.07 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 3hlm h GLU 111 Cb 1.50 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.80 3hlm h GLU 111 CO 0.06 -0.54 -0.41 1.25 -1.00 0.00 0.00 179.01 178.37 3hlm h LEU 112 N -0.85 -1.48 -0.37 1.33 5.85 -1.00 1.04 115.31 119.84 3hlm h LEU 112 Ca -0.07 0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3hlm h LEU 112 Cb 0.67 0.74 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3hlm h LEU 112 CO 0.10 -0.29 -0.58 0.00 -0.34 0.00 0.00 178.44 177.32 3hlm h ALA 113 N 1.09 0.54 0.00 1.25 0.00 -1.29 -3.34 119.26 117.51 3hlm h ALA 113 Ca 0.28 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3hlm h ALA 113 Cb 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hlm h ALA 113 CO -0.88 0.69 -1.92 1.28 0.00 0.00 0.00 179.25 178.42 3hlm n LEU 114 N -3.97 0.30 -0.12 0.00 4.77 0.67 -4.80 117.00 113.84 3hlm n LEU 114 Ca -0.04 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hlm n LEU 114 Cb 0.64 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3hlm n LEU 114 CO 0.49 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3hlm n GLY 115 N 1.46 -0.27 0.29 -0.72 0.00 0.35 -4.72 105.19 101.59 3hlm n GLY 115 Ca -0.15 -1.11 0.25 0.00 0.00 0.00 0.00 46.02 45.01 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 1.93 -0.06 -1.10 1.61 2.13 -1.24 -1.54 120.64 122.36 3hlm n GLU 116 Ca 0.00 1.27 -0.13 0.00 0.66 0.00 0.00 57.16 58.96 3hlm n GLU 116 Cb 0.00 -2.22 0.26 0.00 0.27 0.00 0.00 31.44 29.75 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 -5.11 4.44 -4.71 4.31 3.02 -1.26 -4.80 115.26 111.15 3hlm n ASN 117 Ca 0.31 -3.36 -0.42 0.00 -0.03 0.00 0.00 54.58 51.08 3hlm n ASN 117 Cb 1.06 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 3hlm n ASN 117 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hlm s ASN 118 N -1.10 7.21 0.61 6.41 3.84 -0.59 -4.92 114.94 126.40 3hlm s ASN 118 Ca 0.56 1.81 0.26 0.00 0.21 0.00 0.00 52.86 55.70 3hlm s ASN 118 Cb 0.45 -2.57 1.17 0.00 -0.55 0.00 0.00 41.25 39.75 3hlm s ASN 118 CO 0.13 -0.40 1.59 1.05 -2.79 0.00 0.00 177.10 176.68 3hlm h GLU 119 N 6.90 0.00 0.12 0.43 -0.00 -1.93 -0.17 114.58 119.94 3hlm h GLU 119 Ca -0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.96 3hlm h GLU 119 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 3hlm h GLU 119 CO 0.80 0.00 -0.06 0.28 -0.00 0.00 0.00 179.01 180.03 3hlm h VAL 120 N 0.00 1.06 -0.23 -1.06 2.07 -1.95 0.31 116.25 116.44 3hlm h VAL 120 Ca 0.31 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 3hlm h VAL 120 Cb 1.95 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3hlm h VAL 120 CO -0.00 0.20 -0.29 -0.07 0.02 0.00 0.00 177.57 177.43 3hlm h LEU 121 N -0.59 0.47 -0.18 2.57 3.38 -1.41 -0.08 115.31 119.47 3hlm h LEU 121 Ca -0.02 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 3hlm h LEU 121 Cb 0.46 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3hlm h LEU 121 CO 0.03 0.75 -0.59 0.11 0.09 0.00 0.00 178.44 178.82 3hlm h LYS 122 N 0.41 0.73 0.00 1.13 1.57 -1.27 -2.48 116.57 116.65 3hlm h LYS 122 Ca 0.05 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hlm h LYS 122 Cb 0.71 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3hlm h LYS 122 CO 0.05 1.15 0.00 -1.13 -0.57 0.00 0.00 179.45 178.96 3hlm n SER 123 N -4.08 0.00 0.00 0.86 3.41 0.09 -4.91 113.62 109.00 3hlm n SER 123 Ca -0.07 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3hlm n SER 123 Cb 0.65 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3hlm n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hlm n GLY 124 N 0.84 0.53 2.10 5.00 0.00 -0.06 -4.52 105.19 109.08 3hlm n GLY 124 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.24 2.38 -3.59 1.61 1.85 -1.08 -4.43 116.66 111.17 3hlm n ARG 125 Ca 0.00 -1.29 -0.11 0.00 -1.00 0.00 0.00 57.85 55.46 3hlm n ARG 125 Cb 0.06 -2.20 -0.03 0.00 -1.05 0.00 0.00 32.46 29.24 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 1.40 -0.30 0.02 2.89 -0.71 -1.26 -0.83 117.98 119.19 3hlm s PHE 126 Ca 0.66 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 56.58 3hlm s PHE 126 Cb 0.27 0.42 -0.02 0.00 -1.21 0.00 0.00 43.02 42.48 3hlm s PHE 126 CO -0.02 -0.83 -0.06 0.54 -1.34 0.00 0.00 175.22 173.51 3hlm s VAL 127 N -3.81 0.46 -0.02 -2.49 0.11 -0.04 -4.84 120.40 109.77 3hlm s VAL 127 Ca 0.04 -0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 3hlm s VAL 127 Cb -0.00 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3hlm s VAL 127 CO -0.09 -0.21 0.04 -0.89 -3.33 0.00 0.00 175.10 170.62 3hlm s THR 128 N -0.93 -0.04 0.01 5.04 2.01 -1.26 -1.30 115.64 119.17 3hlm s THR 128 Ca -0.06 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3hlm s THR 128 Cb -0.07 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 3hlm s THR 128 CO 0.00 0.06 -0.10 0.68 -0.69 0.00 0.00 174.62 174.57 3hlm s VAL 129 N 0.79 0.78 0.43 3.82 -7.23 -0.58 -4.91 120.40 113.50 3hlm s VAL 129 Ca -0.06 -0.63 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 3hlm s VAL 129 Cb -0.09 -0.69 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 3hlm s VAL 129 CO -0.03 0.07 1.07 -1.58 -0.31 0.00 0.00 175.10 174.32 3hlm s GLN 130 N -0.63 4.00 0.22 4.82 0.74 -0.52 -0.92 119.66 127.36 3hlm s GLN 130 Ca 0.01 1.53 -0.03 0.00 0.05 0.00 0.00 55.36 56.92 3hlm s GLN 130 Cb -0.05 -2.41 -0.03 0.00 1.10 0.00 0.00 33.01 31.61 3hlm s GLN 130 CO 0.00 -0.29 0.20 0.95 -0.55 0.00 0.00 175.29 175.60 3hlm s THR 131 N -1.71 0.00 -1.17 -0.34 -4.23 -0.03 -4.63 115.64 103.53 3hlm s THR 131 Ca 0.61 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 59.02 3hlm s THR 131 Cb -0.22 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.22 3hlm s THR 131 CO 0.27 0.00 1.62 -0.63 -0.54 0.00 0.00 174.62 175.34 3hlm s ILE 132 N -4.09 4.01 0.00 2.99 -1.09 -1.26 -2.61 121.20 119.14 3hlm s ILE 132 Ca 0.36 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.43 3hlm s ILE 132 Cb 0.05 -5.10 0.00 0.00 -1.58 0.00 0.00 42.46 35.83 3hlm s ILE 132 CO 0.12 -1.95 0.00 -1.20 -1.23 0.00 0.00 174.94 170.68 3hlm n SER 133 N 8.83 -4.55 0.12 3.58 7.64 -1.17 -1.23 113.62 126.85 3hlm n SER 133 Ca 0.42 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.27 3hlm n SER 133 Cb 0.48 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.82 3hlm n SER 133 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hlm h GLY 134 N 0.00 0.06 0.40 0.23 0.00 -1.79 -2.38 103.07 99.58 3hlm h GLY 134 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hlm h GLY 134 CO 0.00 0.07 -0.35 -0.84 0.00 0.00 0.00 176.54 175.42 3hlm h THR 135 N 0.04 0.27 -1.00 4.70 2.02 -1.92 -0.40 112.91 116.62 3hlm h THR 135 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 3hlm h THR 135 Cb 1.15 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 3hlm h THR 135 CO 0.09 0.00 0.63 1.23 0.37 0.00 0.00 175.52 177.83 3hlm h GLY 136 N -0.58 1.63 1.48 2.16 0.00 -0.94 0.21 103.07 107.02 3hlm h GLY 136 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 3hlm h GLY 136 CO -0.20 0.16 -0.31 0.00 0.00 0.00 0.00 176.54 176.19 3hlm h ALA 137 N 1.53 0.93 -0.35 3.60 0.00 -1.16 0.27 119.26 124.08 3hlm h ALA 137 Ca 0.49 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hlm h ALA 137 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hlm h ALA 137 CO -0.26 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.59 3hlm h LEU 138 N 0.51 0.56 -0.25 0.00 3.38 0.88 -2.07 115.31 118.31 3hlm h LEU 138 Ca 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3hlm h LEU 138 Cb 0.79 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hlm h LEU 138 CO 0.06 0.68 0.03 -0.09 0.09 0.00 0.00 178.44 179.22 3hlm h ARG 139 N 0.42 0.42 -0.64 1.13 9.65 0.06 0.39 114.38 125.81 3hlm h ARG 139 Ca 0.11 -0.12 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 3hlm h ARG 139 Cb 0.36 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.83 3hlm h ARG 139 CO 0.01 0.55 0.33 0.28 2.80 0.00 0.00 179.97 183.94 3hlm h VAL 140 N 0.22 0.90 -0.38 0.20 2.07 -0.52 -0.62 116.25 118.13 3hlm h VAL 140 Ca 0.07 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3hlm h VAL 140 Cb 0.34 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3hlm h VAL 140 CO 0.01 0.11 -0.19 1.23 0.02 0.00 0.00 177.57 178.74 3hlm h GLY 141 N 0.59 0.79 1.00 2.17 0.00 -1.23 -0.09 103.07 106.29 3hlm h GLY 141 Ca 0.30 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hlm h GLY 141 CO -0.22 0.59 0.35 0.00 0.00 0.00 0.00 176.54 177.26 3hlm h ALA 142 N 1.14 0.71 -0.10 3.60 0.00 -0.31 -0.29 119.26 124.00 3hlm h ALA 142 Ca 0.10 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3hlm h ALA 142 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hlm h ALA 142 CO 0.05 0.17 -0.62 0.66 0.00 0.00 0.00 179.25 179.51 3hlm h SER 143 N 0.75 0.42 -0.65 0.00 4.64 -0.85 0.52 113.55 118.38 3hlm h SER 143 Ca 0.20 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3hlm h SER 143 Cb -0.05 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 3hlm h SER 143 CO -0.04 0.93 0.13 0.15 -0.87 0.00 0.00 176.83 177.13 3hlm h PHE 144 N 0.27 1.11 -0.36 4.77 3.57 -0.49 -2.47 116.94 123.35 3hlm h PHE 144 Ca -0.01 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.27 3hlm h PHE 144 Cb 1.15 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3hlm h PHE 144 CO 0.03 0.93 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.90 3hlm h LEU 145 N 0.97 0.68 -0.60 0.59 3.38 -0.29 0.17 115.31 120.21 3hlm h LEU 145 Ca 0.20 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.94 3hlm h LEU 145 Cb 0.40 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 3hlm h LEU 145 CO 0.01 0.88 -0.01 -0.61 0.09 0.00 0.00 178.44 178.80 3hlm h GLN 146 N 0.47 0.10 0.00 1.13 -0.00 -0.72 0.30 115.11 116.40 3hlm h GLN 146 Ca 0.09 -0.01 -0.24 0.00 -0.00 0.00 0.00 58.65 58.49 3hlm h GLN 146 Cb 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.99 3hlm h GLN 146 CO 0.03 0.07 -1.61 -2.13 0.00 0.00 0.00 178.83 175.19 3hlm n ARG 147 N -5.29 0.63 -0.00 1.69 0.63 -0.95 -4.46 116.66 108.91 3hlm n ARG 147 Ca 0.08 0.26 0.04 0.00 -0.92 0.00 0.00 57.85 57.31 3hlm n ARG 147 Cb 0.34 -1.79 -0.06 0.00 0.45 0.00 0.00 32.46 31.41 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 -2.97 0.00 -2.84 -0.14 3.72 0.57 -4.87 117.46 110.93 3hlm n PHE 148 Ca -0.14 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.82 3hlm n PHE 148 Cb 0.97 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 39.41 3hlm n PHE 148 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3hlm s PHE 149 N -2.17 3.19 -1.15 1.38 5.36 0.11 -4.74 117.98 119.96 3hlm s PHE 149 Ca 0.00 -1.74 0.17 0.00 -0.96 0.00 0.00 56.93 54.40 3hlm s PHE 149 Cb 0.06 -4.42 0.78 0.00 -0.34 0.00 0.00 43.02 39.10 3hlm s PHE 149 CO 0.34 -1.54 1.54 0.36 -1.46 0.00 0.00 175.22 174.46 3hlm n LYS 150 N 6.65 0.09 0.14 10.12 2.85 -1.26 -3.26 118.16 133.48 3hlm n LYS 150 Ca 0.35 0.18 0.12 0.00 -1.05 0.00 0.00 58.31 57.91 3hlm n LYS 150 Cb 0.46 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.58 3hlm n LYS 150 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 3hlm h PHE 151 N 0.00 0.00 -2.60 5.58 0.04 -1.87 -3.47 116.94 114.62 3hlm h PHE 151 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3hlm h PHE 151 Cb 0.25 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.27 3hlm h PHE 151 CO 0.00 0.00 0.37 0.45 -0.60 0.00 0.00 178.31 178.53 3hlm s SER 152 N -5.13 -0.43 0.00 2.17 0.15 -1.20 -4.80 113.70 104.46 3hlm s SER 152 Ca 0.07 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.71 3hlm s SER 152 Cb 0.10 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 3hlm s SER 152 CO 0.66 -0.81 0.33 0.54 1.20 0.00 0.00 173.24 175.17 3hlm n ARG 153 N -0.32 3.37 -3.43 5.44 5.12 -1.26 -4.86 116.66 120.71 3hlm n ARG 153 Ca -0.12 -0.29 -0.37 0.00 -1.93 0.00 0.00 57.85 55.14 3hlm n ARG 153 Cb 0.63 -0.82 -0.07 0.00 -1.16 0.00 0.00 32.46 31.03 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 -0.92 6.47 -0.20 0.55 1.01 -1.26 -1.18 116.67 121.14 3hlm s ASP 154 Ca 0.03 0.55 -0.02 0.00 0.71 0.00 0.00 52.55 53.82 3hlm s ASP 154 Cb 0.03 -2.22 -0.00 0.00 1.01 0.00 0.00 42.92 41.73 3hlm s ASP 154 CO 0.10 -0.00 -0.09 -0.69 0.21 0.00 0.00 175.17 174.69 3hlm s VAL 155 N 0.92 2.99 -0.34 -1.27 1.01 -0.46 -2.23 120.40 121.00 3hlm s VAL 155 Ca 0.19 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 3hlm s VAL 155 Cb -0.14 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3hlm s VAL 155 CO 0.07 0.46 0.57 -0.36 0.00 0.00 0.00 175.10 175.84 3hlm s PHE 156 N 1.32 3.18 0.08 5.22 0.40 0.27 -1.39 117.98 127.05 3hlm s PHE 156 Ca 0.04 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 3hlm s PHE 156 Cb -0.14 -3.00 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 3hlm s PHE 156 CO -0.05 -0.55 0.22 -0.51 0.70 0.00 0.00 175.22 175.02 3hlm s LEU 157 N 2.52 4.33 0.72 -0.37 1.43 -0.62 -0.65 118.68 126.02 3hlm s LEU 157 Ca 0.21 0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.39 3hlm s LEU 157 Cb -0.15 -2.92 0.03 0.00 0.03 0.00 0.00 46.19 43.18 3hlm s LEU 157 CO 0.14 0.15 1.25 -2.16 0.23 0.00 0.00 176.35 175.95 3hlm s PRO 158 N -2.64 2.16 -0.40 1.29 0.04 -1.26 -1.57 135.00 132.62 3hlm s PRO 158 Ca 0.35 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 3hlm s PRO 158 Cb -0.13 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3hlm s PRO 158 CO 0.28 -1.85 0.47 0.15 0.04 0.00 0.00 177.00 176.08 3hlm s LYS 159 N -3.74 3.29 0.25 4.56 1.02 -0.09 -3.18 119.74 121.85 3hlm s LYS 159 Ca 0.78 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 56.18 3hlm s LYS 159 Cb -0.33 -3.91 0.06 0.00 -0.52 0.00 0.00 37.83 33.13 3hlm s LYS 159 CO 0.44 -0.79 0.34 -0.35 -0.92 0.00 0.00 175.35 174.07 3hlm n PRO 160 N 5.69 -0.28 -4.02 -1.68 -0.04 -1.26 -1.64 135.00 131.78 3hlm n PRO 160 Ca -0.06 -0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 62.73 3hlm n PRO 160 Cb 0.48 -0.34 -0.03 0.00 -0.04 0.00 0.00 33.50 33.56 3hlm n PRO 160 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hlm s SER 161 N -2.25 0.51 0.20 3.54 0.15 -1.19 -4.86 113.70 109.80 3hlm s SER 161 Ca 0.19 -1.29 -0.32 0.00 0.70 0.00 0.00 55.95 55.23 3hlm s SER 161 Cb -0.01 0.67 -0.13 0.00 -1.71 0.00 0.00 66.02 64.85 3hlm s SER 161 CO 0.14 -1.32 1.63 1.87 1.20 0.00 0.00 173.24 176.76 3hlm n TRP 162 N -0.51 2.55 -0.23 3.44 -0.00 -1.05 -4.52 117.44 117.11 3hlm n TRP 162 Ca -0.01 0.17 -0.06 0.00 -0.00 0.00 0.00 57.50 57.61 3hlm n TRP 162 Cb 0.61 -2.60 -0.00 0.00 -0.00 0.00 0.00 31.31 29.32 3hlm n TRP 162 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3hlm h GLY 163 N 6.05 -0.21 1.67 5.87 0.00 -2.00 -2.20 103.07 112.25 3hlm h GLY 163 Ca -0.44 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3hlm h GLY 163 CO 0.90 -0.19 0.15 -0.57 0.00 0.00 0.00 176.54 176.83 3hlm h ASN 164 N -0.16 0.00 -0.99 0.19 -1.24 -2.02 -2.86 115.58 108.51 3hlm h ASN 164 Ca 0.23 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.31 3hlm h ASN 164 Cb 0.56 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.54 3hlm h ASN 164 CO -0.73 0.00 0.63 0.45 -1.29 0.00 0.00 177.43 176.49 3hlm h HIS 165 N 0.00 1.17 0.74 0.67 3.86 -1.76 -1.99 115.15 117.84 3hlm h HIS 165 Ca 0.00 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3hlm h HIS 165 Cb 0.30 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.39 3hlm h HIS 165 CO 0.00 0.59 -0.36 1.15 0.86 0.00 0.00 177.93 180.18 3hlm h THR 166 N 1.14 0.00 -0.06 2.45 2.02 -1.70 -2.25 112.91 114.51 3hlm h THR 166 Ca 0.43 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.48 3hlm h THR 166 Cb 0.20 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3hlm h THR 166 CO -0.18 0.00 0.06 1.55 0.37 0.00 0.00 175.52 177.32 3hlm h PRO 167 N -1.15 0.00 0.08 6.66 0.13 -1.74 0.75 132.00 136.73 3hlm h PRO 167 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3hlm h PRO 167 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hlm h PRO 167 CO 0.17 0.00 -0.04 0.82 -0.23 0.00 0.00 178.00 178.72 3hlm h ILE 168 N 0.00 1.04 -0.35 -3.56 2.04 -1.25 0.18 117.51 115.61 3hlm h ILE 168 Ca 0.03 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.36 3hlm h ILE 168 Cb 0.15 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hlm h ILE 168 CO -0.00 0.10 -0.35 -0.26 0.00 0.00 0.00 178.15 177.64 3hlm h PHE 169 N -0.28 1.02 0.55 1.37 0.04 -0.95 -1.77 116.94 116.92 3hlm h PHE 169 Ca -0.01 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 3hlm h PHE 169 Cb 0.24 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3hlm h PHE 169 CO -0.02 1.11 -0.40 -0.09 -0.60 0.00 0.00 178.31 178.31 3hlm h ARG 170 N 0.64 -0.89 -0.34 1.51 9.65 -0.83 -1.08 114.38 123.05 3hlm h ARG 170 Ca 0.06 0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3hlm h ARG 170 Cb 0.93 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 3hlm h ARG 170 CO 0.09 -0.59 0.23 -0.44 2.80 0.00 0.00 179.97 182.05 3hlm h ASP 171 N -0.92 0.22 1.08 -3.80 3.32 -0.69 -1.12 116.42 114.51 3hlm h ASP 171 Ca -0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hlm h ASP 171 Cb 0.77 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3hlm h ASP 171 CO 0.03 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 3hlm n ALA 172 N -2.53 1.98 0.00 3.45 0.00 -0.67 -4.92 120.51 117.82 3hlm n ALA 172 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hlm n ALA 172 Cb 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.67 1.66 3.76 0.00 0.00 -0.42 -4.72 105.19 106.13 3hlm n GLY 173 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.22 2.33 0.12 1.61 -1.94 -0.51 -4.94 119.30 115.76 3hlm s MET 174 Ca 0.00 -1.67 0.05 0.00 -1.71 0.00 0.00 55.69 52.36 3hlm s MET 174 Cb 0.00 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 3hlm s MET 174 CO 0.00 -0.03 0.02 -0.65 -0.01 0.00 0.00 175.02 174.35 3hlm s GLN 175 N -3.92 2.58 -0.02 2.03 -1.52 -0.32 -4.11 119.66 114.38 3hlm s GLN 175 Ca 0.41 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 3hlm s GLN 175 Cb 0.00 -2.53 -0.04 0.00 -0.22 0.00 0.00 33.01 30.23 3hlm s GLN 175 CO 0.23 0.52 0.02 -0.51 -0.25 0.00 0.00 175.29 175.30 3hlm s LEU 176 N -2.56 3.64 0.35 2.90 2.01 -1.26 -1.36 118.68 122.40 3hlm s LEU 176 Ca 0.27 0.07 0.06 0.00 0.01 0.00 0.00 54.13 54.55 3hlm s LEU 176 Cb -0.11 -2.03 -0.03 0.00 0.01 0.00 0.00 46.19 44.03 3hlm s LEU 176 CO 0.19 0.30 0.24 -1.10 1.01 0.00 0.00 176.35 176.99 3hlm s GLN 177 N -1.44 1.79 0.05 1.70 -1.52 -0.49 -4.88 119.66 114.87 3hlm s GLN 177 Ca 0.19 -2.05 0.00 0.00 -1.95 0.00 0.00 55.36 51.55 3hlm s GLN 177 Cb -0.12 0.09 -0.04 0.00 -0.22 0.00 0.00 33.01 32.73 3hlm s GLN 177 CO 0.09 -0.60 -0.04 0.20 -0.25 0.00 0.00 175.29 174.68 3hlm s GLY 178 N -3.43 0.50 0.05 3.09 0.00 -1.26 -1.60 107.32 104.68 3hlm s GLY 178 Ca 0.36 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 44.03 3hlm s GLY 178 CO 0.24 -1.19 -0.11 -2.52 0.00 0.00 0.00 173.10 169.52 3hlm s TYR 179 N -3.19 0.97 0.02 1.90 1.13 -0.61 -4.83 117.35 112.74 3hlm s TYR 179 Ca 0.02 -0.44 -0.30 0.00 -1.41 0.00 0.00 57.07 54.94 3hlm s TYR 179 Cb 0.03 -0.56 -0.08 0.00 -1.10 0.00 0.00 41.96 40.25 3hlm s TYR 179 CO -0.06 -0.00 1.78 1.03 -2.51 0.00 0.00 175.55 175.78 3hlm s ARG 180 N -1.51 4.17 0.03 -3.49 0.52 -1.26 -0.91 118.95 116.49 3hlm s ARG 180 Ca -0.04 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 3hlm s ARG 180 Cb -0.09 -3.94 0.00 0.00 0.52 0.00 0.00 34.95 31.44 3hlm s ARG 180 CO 0.01 -0.86 0.00 0.98 0.02 0.00 0.00 175.30 175.45 3hlm n TYR 181 N 6.85 -0.14 -2.39 -0.53 9.36 -1.23 -2.23 117.16 126.85 3hlm n TYR 181 Ca 0.18 0.02 -0.42 0.00 3.32 0.00 0.00 57.90 61.01 3hlm n TYR 181 Cb 0.41 0.15 -0.03 0.00 -0.63 0.00 0.00 39.34 39.24 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 -1.18 3.42 -0.44 2.98 5.04 -0.65 0.10 117.35 126.62 3hlm s TYR 182 Ca 0.00 1.28 -0.14 0.00 -2.44 0.00 0.00 57.07 55.77 3hlm s TYR 182 Cb 0.00 -3.45 0.06 0.00 0.35 0.00 0.00 41.96 38.92 3hlm s TYR 182 CO 0.00 -1.38 0.33 0.34 -1.34 0.00 0.00 175.55 173.51 3hlm s ASP 183 N 0.93 6.03 0.50 4.32 -1.08 0.12 -4.68 116.67 122.81 3hlm s ASP 183 Ca 0.58 -1.21 0.29 0.00 -0.52 0.00 0.00 52.55 51.70 3hlm s ASP 183 Cb -0.31 -2.13 1.13 0.00 -1.46 0.00 0.00 42.92 40.15 3hlm s ASP 183 CO 0.30 -0.56 1.90 1.55 0.52 0.00 0.00 175.17 178.89 3hlm h PRO 184 N 8.64 0.00 0.00 4.34 0.13 -1.95 0.29 132.00 143.45 3hlm h PRO 184 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3hlm h PRO 184 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3hlm h PRO 184 CO 0.80 0.09 -0.27 0.87 -0.23 0.00 0.00 178.00 179.26 3hlm h LYS 185 N 0.00 0.00 0.00 0.86 1.57 -1.95 -3.33 116.57 113.72 3hlm h LYS 185 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hlm h LYS 185 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3hlm h LYS 185 CO 0.01 0.27 0.00 0.25 -0.57 0.00 0.00 179.45 179.42 3hlm n THR 186 N -3.50 0.00 -2.72 -0.16 -2.24 -0.68 -4.99 114.28 99.99 3hlm n THR 186 Ca -0.00 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 3hlm n THR 186 Cb 0.44 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 3hlm n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hlm n GLY 188 N -1.25 5.48 3.72 0.00 0.00 -1.18 -4.86 105.19 107.10 3hlm n GLY 188 Ca -0.17 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.74 3.65 -1.25 1.61 5.36 -1.26 0.16 117.98 125.51 3hlm s PHE 189 Ca 0.00 1.45 -0.11 0.00 -0.96 0.00 0.00 56.93 57.31 3hlm s PHE 189 Cb 0.00 -2.91 0.17 0.00 -0.34 0.00 0.00 43.02 39.94 3hlm s PHE 189 CO 0.00 0.11 1.67 -3.47 -1.46 0.00 0.00 175.22 172.06 3hlm n ASP 190 N 3.55 5.16 -0.21 6.13 2.03 0.11 -4.72 116.55 128.61 3hlm n ASP 190 Ca 0.01 -3.05 -0.02 0.00 0.52 0.00 0.00 54.79 52.25 3hlm n ASP 190 Cb 0.51 -1.52 0.05 0.00 -0.72 0.00 0.00 41.12 39.44 3hlm n ASP 190 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3hlm h PHE 191 N 6.41 -0.51 -0.06 -0.67 3.57 -1.91 0.20 116.94 123.97 3hlm h PHE 191 Ca 0.36 0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.77 3hlm h PHE 191 Cb 0.75 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3hlm h PHE 191 CO 1.18 -0.31 -0.61 0.66 -2.23 0.00 0.00 178.31 176.99 3hlm h SER 192 N -0.05 0.24 -0.19 0.41 4.64 -1.96 0.22 113.55 116.86 3hlm h SER 192 Ca 0.29 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 3hlm h SER 192 Cb 0.50 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3hlm h SER 192 CO -0.67 0.80 -0.05 1.23 -0.87 0.00 0.00 176.83 177.26 3hlm h GLY 193 N 1.52 0.40 0.94 -0.77 0.00 -1.77 -0.25 103.07 103.15 3hlm h GLY 193 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3hlm h GLY 193 CO 0.09 0.31 0.01 0.00 0.00 0.00 0.00 176.54 176.95 3hlm h ALA 194 N 0.72 0.01 -0.61 3.60 0.00 -0.15 0.99 119.26 123.82 3hlm h ALA 194 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hlm h ALA 194 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hlm h ALA 194 CO 0.02 -0.46 0.24 1.25 0.00 0.00 0.00 179.25 180.30 3hlm h LEU 195 N -0.05 0.82 -0.14 0.00 5.85 -0.59 0.36 115.31 121.57 3hlm h LEU 195 Ca 0.00 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3hlm h LEU 195 Cb 0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hlm h LEU 195 CO -0.00 0.74 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.56 3hlm h GLU 196 N 0.88 0.39 -0.33 1.25 4.81 -0.85 -2.73 114.58 118.00 3hlm h GLU 196 Ca 0.21 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3hlm h GLU 196 Cb 0.18 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3hlm h GLU 196 CO -0.02 0.81 0.10 -0.44 -0.73 0.00 0.00 179.01 178.73 3hlm h ASP 197 N 0.01 0.09 0.33 1.04 3.32 -0.64 -2.73 116.42 117.83 3hlm h ASP 197 Ca 0.02 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3hlm h ASP 197 Cb 0.77 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3hlm h ASP 197 CO 0.05 0.08 -0.29 0.40 -1.72 0.00 0.00 179.24 177.76 3hlm h ILE 198 N 0.23 1.15 -0.01 0.35 2.04 -0.22 -1.52 117.51 119.54 3hlm h ILE 198 Ca 0.15 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3hlm h ILE 198 Cb 0.14 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3hlm h ILE 198 CO -0.17 0.29 -0.06 -1.54 0.00 0.00 0.00 178.15 176.67 3hlm n SER 199 N -4.11 0.65 -0.51 1.72 3.41 -1.04 -2.90 113.62 110.84 3hlm n SER 199 Ca -0.02 -0.93 0.05 0.00 -0.26 0.00 0.00 58.87 57.71 3hlm n SER 199 Cb 0.35 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.35 3hlm n SER 199 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hlm n LYS 200 N -0.66 1.40 -1.72 4.33 5.02 -0.59 -4.97 118.16 120.98 3hlm n LYS 200 Ca 0.18 -1.48 -0.43 0.00 -2.02 0.00 0.00 58.31 54.56 3hlm n LYS 200 Cb 0.26 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3hlm n LYS 200 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hlm n ILE 201 N 0.58 0.67 -1.86 -0.18 5.41 -1.12 -4.93 119.36 117.92 3hlm n ILE 201 Ca 0.08 -0.17 -0.41 0.00 1.00 0.00 0.00 62.75 63.26 3hlm n ILE 201 Cb 0.33 -1.84 -0.00 0.00 -0.71 0.00 0.00 39.64 37.42 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 0.04 4.04 0.50 0.38 0.02 -1.26 -4.89 135.00 133.84 3hlm s PRO 202 Ca 0.69 2.46 -0.22 0.00 0.02 0.00 0.00 61.00 63.95 3hlm s PRO 202 Cb -0.54 -2.90 -0.08 0.00 0.02 0.00 0.00 34.50 31.00 3hlm s PRO 202 CO 0.44 -0.54 1.06 0.39 -0.33 0.00 0.00 177.00 178.01 3hlm n GLU 203 N 0.34 1.30 -1.67 5.54 1.02 -1.26 -2.14 120.64 123.77 3hlm n GLU 203 Ca 0.02 0.48 -0.15 0.00 -0.02 0.00 0.00 57.16 57.49 3hlm n GLU 203 Cb 0.40 -2.18 -0.05 0.00 -0.02 0.00 0.00 31.44 29.59 3hlm n GLU 203 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hlm n GLN 204 N -0.38 -1.09 -1.80 3.49 6.02 -0.39 -4.99 117.38 118.25 3hlm n GLN 204 Ca 0.10 0.95 -0.29 0.00 -0.01 0.00 0.00 57.00 57.75 3hlm n GLN 204 Cb 0.43 -5.14 0.15 0.00 1.02 0.00 0.00 30.24 26.70 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 -2.70 3.49 -0.13 1.08 0.01 -0.91 -4.30 113.70 110.25 3hlm s SER 205 Ca 0.00 0.58 -0.04 0.00 1.31 0.00 0.00 55.95 57.80 3hlm s SER 205 Cb 0.00 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3hlm s SER 205 CO 0.00 -2.52 0.03 -0.69 0.41 0.00 0.00 173.24 170.47 3hlm s VAL 206 N -3.62 4.52 -0.13 3.43 1.01 -0.95 -1.02 120.40 123.64 3hlm s VAL 206 Ca 0.68 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3hlm s VAL 206 Cb -0.08 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3hlm s VAL 206 CO 0.52 0.54 -0.18 -0.22 0.00 0.00 0.00 175.10 175.76 3hlm s LEU 207 N -0.31 1.91 -0.19 3.92 0.20 -0.42 -0.57 118.68 123.21 3hlm s LEU 207 Ca 0.07 -0.53 -0.12 0.00 0.69 0.00 0.00 54.13 54.24 3hlm s LEU 207 Cb -0.12 -1.28 -0.05 0.00 -0.43 0.00 0.00 46.19 44.31 3hlm s LEU 207 CO 0.02 0.03 0.23 -0.22 -0.29 0.00 0.00 176.35 176.12 3hlm s LEU 208 N 1.01 4.20 -0.07 -0.68 0.20 0.17 -1.71 118.68 121.79 3hlm s LEU 208 Ca -0.04 0.35 0.05 0.00 0.69 0.00 0.00 54.13 55.18 3hlm s LEU 208 Cb -0.15 -2.26 -0.01 0.00 -0.43 0.00 0.00 46.19 43.35 3hlm s LEU 208 CO -0.04 0.09 -0.25 -0.76 -0.29 0.00 0.00 176.35 175.11 3hlm s LEU 209 N 0.65 2.08 -0.21 -0.68 1.43 -0.39 -4.28 118.68 117.28 3hlm s LEU 209 Ca 0.13 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3hlm s LEU 209 Cb -0.13 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3hlm s LEU 209 CO 0.03 0.21 0.68 -1.00 0.23 0.00 0.00 176.35 176.50 3hlm s HIS 210 N 0.02 3.35 0.12 0.29 3.76 -1.26 -0.69 115.29 120.89 3hlm s HIS 210 Ca -0.09 0.97 -0.13 0.00 -0.15 0.00 0.00 55.06 55.66 3hlm s HIS 210 Cb -0.15 -2.87 -0.05 0.00 1.11 0.00 0.00 32.58 30.62 3hlm s HIS 210 CO 0.06 -0.24 1.47 0.00 -0.85 0.00 0.00 174.74 175.17 3hlm h ALA 211 N 7.58 0.52 -1.96 -1.40 0.00 -1.24 -3.46 119.26 119.30 3hlm h ALA 211 Ca -0.29 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 3hlm h ALA 211 Cb 1.13 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.61 3hlm h ALA 211 CO 0.79 0.53 0.22 0.00 0.00 0.00 0.00 179.25 180.79 3hlm n ALA 213 N 1.06 -2.56 -1.68 0.00 0.00 -1.26 -4.63 120.51 111.43 3hlm n ALA 213 Ca -0.18 -0.07 -0.44 0.00 0.00 0.00 0.00 53.44 52.75 3hlm n ALA 213 Cb 0.57 -2.67 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 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 -2.65 2.32 -3.91 0.00 -0.00 -1.26 -4.81 115.22 104.91 3hlm n HIS 214 Ca -0.08 0.35 -0.35 0.00 0.46 0.00 0.00 57.72 58.09 3hlm n HIS 214 Cb 0.57 -2.51 -0.14 0.00 -0.12 0.00 0.00 29.99 27.79 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 0.51 4.42 0.00 0.26 3.84 -1.26 0.22 114.94 122.93 3hlm s ASN 215 Ca 0.70 -0.66 0.18 0.00 0.21 0.00 0.00 52.86 53.29 3hlm s ASN 215 Cb -0.63 -1.73 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 3hlm s ASN 215 CO 0.46 -0.10 0.94 -0.81 -2.79 0.00 0.00 177.10 174.80 3hlm n PRO 216 N 4.75 1.57 0.08 0.43 -0.04 -1.26 -2.54 135.00 138.00 3hlm n PRO 216 Ca -0.17 -0.96 0.02 0.00 -0.04 0.00 0.00 63.50 62.36 3hlm n PRO 216 Cb 0.49 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.18 0.57 0.00 0.52 1.35 -1.79 -3.35 112.91 112.40 3hlm h THR 217 Ca 0.00 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 3hlm h THR 217 Cb 0.62 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3hlm h THR 217 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3hlm n GLY 218 N 1.30 0.86 3.64 5.82 0.00 0.13 -2.40 105.19 114.54 3hlm n GLY 218 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3hlm n GLY 218 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hlm s VAL 219 N -3.46 5.25 0.02 1.61 -7.23 -1.26 0.84 120.40 116.17 3hlm s VAL 219 Ca 0.00 0.44 0.06 0.00 -1.81 0.00 0.00 61.98 60.67 3hlm s VAL 219 Cb 0.00 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 3hlm s VAL 219 CO 0.00 0.25 -0.17 -1.81 -0.31 0.00 0.00 175.10 173.06 3hlm s ASP 220 N 1.31 3.87 0.64 4.85 1.01 -1.26 -4.49 116.67 122.60 3hlm s ASP 220 Ca 0.13 -0.36 -0.17 0.00 0.71 0.00 0.00 52.55 52.85 3hlm s ASP 220 Cb -0.15 -0.68 -0.01 0.00 1.01 0.00 0.00 42.92 43.09 3hlm s ASP 220 CO 0.08 0.28 1.20 -2.84 0.21 0.00 0.00 175.17 174.10 3hlm s PRO 221 N -1.27 2.70 0.20 8.23 0.02 -1.26 -4.86 135.00 138.76 3hlm s PRO 221 Ca 0.14 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 3hlm s PRO 221 Cb -0.11 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3hlm s PRO 221 CO 0.04 -1.41 0.39 1.03 -0.33 0.00 0.00 177.00 176.73 3hlm s ARG 222 N -3.56 3.53 0.20 5.54 0.52 -1.26 -4.83 118.95 119.09 3hlm s ARG 222 Ca 0.76 -0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 55.50 3hlm s ARG 222 Cb -0.30 -2.84 0.23 0.00 0.52 0.00 0.00 34.95 32.57 3hlm s ARG 222 CO 0.38 0.40 1.35 -2.30 0.02 0.00 0.00 175.30 175.15 3hlm n PRO 223 N -0.63 -0.19 -0.39 3.54 -0.02 -1.26 0.37 135.00 136.42 3hlm n PRO 223 Ca -0.05 1.34 0.31 0.00 -2.02 0.00 0.00 63.50 63.09 3hlm n PRO 223 Cb 0.54 -1.99 0.61 0.00 -0.02 0.00 0.00 33.50 32.63 3hlm n PRO 223 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hlm h GLU 224 N 0.00 0.20 0.12 -0.52 5.08 -2.00 0.27 114.58 117.73 3hlm h GLU 224 Ca 0.31 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.32 3hlm h GLU 224 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3hlm h GLU 224 CO -0.87 0.13 -1.82 1.96 -1.00 0.00 0.00 179.01 177.42 3hlm h GLN 225 N 0.20 0.26 -0.77 2.33 4.20 0.62 -3.25 115.11 118.70 3hlm h GLN 225 Ca 0.70 -0.44 0.14 0.00 0.06 0.00 0.00 58.65 59.11 3hlm h GLN 225 Cb 2.12 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 29.97 3hlm h GLN 225 CO -0.31 1.13 0.33 -1.49 -0.67 0.00 0.00 178.83 177.82 3hlm h TRP 226 N 0.07 0.58 -0.61 2.96 -0.00 -0.33 -1.33 115.95 117.29 3hlm h TRP 226 Ca -0.35 0.04 0.12 0.00 -0.00 0.00 0.00 58.89 58.69 3hlm h TRP 226 Cb 2.05 -0.14 -0.09 0.00 -0.00 0.00 0.00 29.16 30.98 3hlm h TRP 226 CO 0.07 0.10 0.10 0.87 -0.00 0.00 0.00 178.44 179.58 3hlm h LYS 227 N 0.49 0.21 -0.19 0.49 1.57 -0.54 0.19 116.57 118.79 3hlm h LYS 227 Ca 0.42 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 59.01 3hlm h LYS 227 Cb 0.62 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3hlm h LYS 227 CO -0.39 0.14 -0.61 0.93 -0.57 0.00 0.00 179.45 178.96 3hlm h GLU 228 N 0.22 0.64 0.51 3.15 4.39 -1.42 -1.72 114.58 120.35 3hlm h GLU 228 Ca 0.32 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 3hlm h GLU 228 Cb 0.49 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3hlm h GLU 228 CO -0.44 1.06 -0.25 0.82 -1.16 0.00 0.00 179.01 179.04 3hlm h ILE 229 N 0.48 0.42 -0.99 3.13 2.04 -0.64 -2.02 117.51 119.93 3hlm h ILE 229 Ca -0.00 -0.33 0.29 0.00 1.00 0.00 0.00 64.86 65.81 3hlm h ILE 229 Cb 1.18 0.55 -0.18 0.00 -0.74 0.00 0.00 36.82 37.62 3hlm h ILE 229 CO 0.12 0.05 0.07 0.00 0.00 0.00 0.00 178.15 178.39 3hlm n ALA 230 N -2.52 0.55 -0.09 1.87 0.00 0.62 -0.01 120.51 120.93 3hlm n ALA 230 Ca -0.11 1.05 -0.11 0.00 0.00 0.00 0.00 53.44 54.28 3hlm n ALA 230 Cb 0.32 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 3hlm n ALA 230 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hlm h SER 231 N 0.00 0.41 -0.59 0.00 0.87 -1.09 -0.92 113.55 112.22 3hlm h SER 231 Ca 0.62 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 3hlm h SER 231 Cb 1.33 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 3hlm h SER 231 CO -0.91 0.55 0.13 0.58 -0.53 0.00 0.00 176.83 176.65 3hlm h VAL 232 N 0.25 1.25 -0.77 2.23 2.07 -0.31 -2.34 116.25 118.63 3hlm h VAL 232 Ca 0.08 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.76 3hlm h VAL 232 Cb 0.31 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 3hlm h VAL 232 CO 0.00 0.35 0.42 0.58 0.02 0.00 0.00 177.57 178.94 3hlm h VAL 233 N 0.94 0.89 -0.21 2.57 2.07 0.09 -0.32 116.25 122.28 3hlm h VAL 233 Ca 0.20 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 3hlm h VAL 233 Cb 0.36 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3hlm h VAL 233 CO 0.00 0.13 -0.57 0.50 0.02 0.00 0.00 177.57 177.66 3hlm h LYS 234 N 0.71 0.64 0.14 1.57 3.64 -0.98 0.34 116.57 122.63 3hlm h LYS 234 Ca 0.37 -0.42 -0.29 0.00 -1.27 0.00 0.00 60.65 59.05 3hlm h LYS 234 Cb 0.35 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3hlm h LYS 234 CO -0.25 1.03 -1.30 1.57 -2.27 0.00 0.00 179.45 178.23 3hlm h LYS 235 N 0.49 0.30 -0.00 1.90 2.10 -0.83 -2.89 116.57 117.64 3hlm h LYS 235 Ca 0.01 -0.52 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3hlm h LYS 235 Cb 1.13 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3hlm h LYS 235 CO 0.11 1.24 -0.03 1.63 -2.00 0.00 0.00 179.45 180.40 3hlm n LYS 236 N -3.55 1.03 -3.39 0.07 4.76 -0.20 -4.95 118.16 111.94 3hlm n LYS 236 Ca -0.10 -0.29 -0.17 0.00 -2.87 0.00 0.00 58.31 54.88 3hlm n LYS 236 Cb 1.04 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.81 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 -0.73 -3.74 -4.92 4.39 5.15 0.03 -3.36 115.26 112.08 3hlm n ASN 237 Ca 0.20 -0.68 -0.27 0.00 -0.60 0.00 0.00 54.58 53.23 3hlm n ASN 237 Cb 0.22 -5.05 -0.02 0.00 -0.53 0.00 0.00 39.78 34.40 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 -6.03 3.98 -0.24 1.20 1.43 -0.70 -1.26 118.68 117.06 3hlm s LEU 238 Ca 0.18 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 3hlm s LEU 238 Cb -0.03 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3hlm s LEU 238 CO 0.74 -0.29 0.21 0.12 0.23 0.00 0.00 176.35 177.36 3hlm s PHE 239 N -2.26 3.31 -0.21 0.29 5.36 -0.19 -4.86 117.98 119.42 3hlm s PHE 239 Ca 0.43 0.29 -0.10 0.00 -0.96 0.00 0.00 56.93 56.59 3hlm s PHE 239 Cb -0.10 -2.34 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 3hlm s PHE 239 CO 0.34 0.02 0.12 0.00 -1.46 0.00 0.00 175.22 174.24 3hlm s ALA 240 N 1.21 3.62 -0.22 11.12 0.00 -1.26 -1.31 121.76 134.92 3hlm s ALA 240 Ca 0.10 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3hlm s ALA 240 Cb -0.14 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.87 3hlm s ALA 240 CO 0.06 0.08 -0.08 0.12 0.00 0.00 0.00 175.76 175.95 3hlm s PHE 241 N 0.52 2.48 -0.11 0.00 5.36 -0.69 -2.61 117.98 122.92 3hlm s PHE 241 Ca 0.07 -1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 54.21 3hlm s PHE 241 Cb -0.12 -1.63 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 3hlm s PHE 241 CO -0.00 -0.77 0.19 -0.06 -1.46 0.00 0.00 175.22 173.12 3hlm s PHE 242 N 1.37 3.60 -0.22 10.12 0.40 -0.82 -1.26 117.98 131.17 3hlm s PHE 242 Ca -0.04 0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 56.81 3hlm s PHE 242 Cb -0.18 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 3hlm s PHE 242 CO -0.07 0.65 0.07 0.34 0.70 0.00 0.00 175.22 176.91 3hlm s ASP 243 N -0.82 5.38 -0.49 1.36 -1.08 0.14 -1.68 116.67 119.48 3hlm s ASP 243 Ca 0.16 -0.07 0.03 0.00 -0.52 0.00 0.00 52.55 52.15 3hlm s ASP 243 Cb -0.13 -1.94 0.15 0.00 -1.46 0.00 0.00 42.92 39.54 3hlm s ASP 243 CO 0.05 0.07 0.31 -0.32 0.52 0.00 0.00 175.17 175.80 3hlm s MET 244 N 1.00 1.45 0.00 4.34 -2.45 0.15 -0.62 119.30 123.18 3hlm s MET 244 Ca 0.04 -2.29 0.17 0.00 -1.25 0.00 0.00 55.69 52.36 3hlm s MET 244 Cb -0.14 -2.39 0.16 0.00 1.25 0.00 0.00 34.83 33.71 3hlm s MET 244 CO 0.03 -1.23 1.07 0.00 1.05 0.00 0.00 175.02 175.94 3hlm n ALA 245 N 3.11 2.46 -2.64 4.11 0.00 -1.26 -2.53 120.51 123.76 3hlm n ALA 245 Ca 0.15 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.91 3hlm n ALA 245 Cb 0.37 -0.59 0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 0.97 0.74 -2.35 0.00 4.01 -1.26 -4.58 117.16 114.69 3hlm n TYR 246 Ca 0.11 -1.43 -0.42 0.00 -0.16 0.00 0.00 57.90 56.00 3hlm n TYR 246 Cb 0.44 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 3hlm n TYR 246 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3hlm s GLN 247 N -2.17 4.38 0.00 -0.72 0.74 -1.26 -1.99 119.66 118.64 3hlm s GLN 247 Ca 0.31 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.57 3hlm s GLN 247 Cb 0.35 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 31.09 3hlm s GLN 247 CO -0.09 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 3hlm n GLY 248 N 3.34 2.42 0.29 2.59 0.00 -1.26 -4.73 105.19 107.83 3hlm n GLY 248 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.61 0.21 1.61 3.57 -1.82 0.52 116.94 121.65 3hlm h PHE 249 Ca 0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3hlm h PHE 249 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3hlm h PHE 249 CO 0.00 0.52 -0.10 0.00 -2.23 0.00 0.00 178.31 176.50 3hlm h ALA 250 N 1.54 -1.07 -0.02 2.41 0.00 -1.70 -3.39 119.26 117.03 3hlm h ALA 250 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hlm h ALA 250 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hlm h ALA 250 CO -0.01 -1.05 0.00 -1.13 0.00 0.00 0.00 179.25 177.06 3hlm n SER 251 N -2.74 2.24 0.00 0.00 3.41 -1.24 -4.10 113.62 111.17 3hlm n SER 251 Ca -0.03 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 3hlm n SER 251 Cb 0.11 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.83 2.44 2.92 5.00 0.00 0.17 -4.96 105.19 111.59 3hlm n GLY 252 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.05 4.49 0.32 1.61 2.15 -1.24 -4.51 116.67 116.44 3hlm s ASP 253 Ca 0.00 -1.95 0.07 0.00 0.43 0.00 0.00 52.55 51.11 3hlm s ASP 253 Cb 0.00 -1.35 0.91 0.00 -0.30 0.00 0.00 42.92 42.18 3hlm s ASP 253 CO 0.00 -0.39 1.54 0.61 -0.17 0.00 0.00 175.17 176.76 3hlm n GLY 254 N 4.47 -1.16 0.18 2.66 0.00 -1.26 -2.03 105.19 108.04 3hlm n GLY 254 Ca 0.01 0.91 0.06 0.00 0.00 0.00 0.00 46.02 47.01 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 0.00 -0.00 1.61 3.32 -1.95 -1.70 116.42 117.70 3hlm h ASP 255 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.71 3hlm h ASP 255 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3hlm h ASP 255 CO -0.87 0.36 -0.85 2.29 -1.72 0.00 0.00 179.24 178.44 3hlm n LYS 256 N -3.29 0.40 -0.07 3.56 2.85 -0.96 -3.02 118.16 117.64 3hlm n LYS 256 Ca 0.01 -0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 56.92 3hlm n LYS 256 Cb 0.60 -1.48 0.05 0.00 -0.65 0.00 0.00 35.03 33.56 3hlm n LYS 256 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3hlm h ASP 257 N 0.63 0.79 -0.20 -5.58 3.32 -1.16 -3.07 116.42 111.15 3hlm h ASP 257 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hlm h ASP 257 Cb 0.56 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3hlm h ASP 257 CO 0.00 1.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.59 3hlm n ALA 258 N -2.52 2.50 -0.16 3.45 0.00 -0.66 -4.45 120.51 118.67 3hlm n ALA 258 Ca -0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 3hlm n ALA 258 Cb 0.51 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.65 1.01 -0.48 0.00 7.01 -1.44 -0.23 115.95 123.47 3hlm h TRP 259 Ca 0.00 -0.22 -0.08 0.00 2.11 0.00 0.00 58.89 60.70 3hlm h TRP 259 Cb 0.37 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 3hlm h TRP 259 CO 0.13 0.99 -0.02 0.00 -2.79 0.00 0.00 178.44 176.75 3hlm h ALA 260 N 0.88 0.65 0.11 2.65 0.00 -1.80 0.13 119.26 121.87 3hlm h ALA 260 Ca 0.12 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hlm h ALA 260 Cb 0.67 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3hlm h ALA 260 CO 0.05 0.47 -0.30 0.28 0.00 0.00 0.00 179.25 179.74 3hlm h VAL 261 N 0.71 0.35 -0.57 0.00 2.07 -1.77 0.41 116.25 117.44 3hlm h VAL 261 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 3hlm h VAL 261 Cb 0.54 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3hlm h VAL 261 CO 0.03 0.00 0.25 0.03 0.02 0.00 0.00 177.57 177.89 3hlm h ARG 262 N -0.52 0.44 -0.71 1.57 3.08 -0.97 -1.74 114.38 115.54 3hlm h ARG 262 Ca 0.03 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3hlm h ARG 262 Cb 0.55 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3hlm h ARG 262 CO -0.18 0.29 0.23 1.25 -1.07 0.00 0.00 179.97 180.49 3hlm h HIS 263 N 0.46 1.13 -0.43 3.04 2.76 -0.31 -0.92 115.15 120.88 3hlm h HIS 263 Ca 0.28 -0.11 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3hlm h HIS 263 Cb 0.28 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 3hlm h HIS 263 CO -0.14 0.90 0.21 0.74 -1.30 0.00 0.00 177.93 178.34 3hlm h PHE 264 N 1.04 0.40 0.75 5.26 -1.00 -0.24 -1.60 116.94 121.54 3hlm h PHE 264 Ca 0.23 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.99 3hlm h PHE 264 Cb 0.29 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 3hlm h PHE 264 CO 0.02 0.20 -0.43 0.82 -1.61 0.00 0.00 178.31 177.31 3hlm h ILE 265 N 0.43 0.12 -0.11 -0.55 2.04 -0.91 -1.38 117.51 117.14 3hlm h ILE 265 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 3hlm h ILE 265 Cb 0.09 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3hlm h ILE 265 CO -0.13 0.00 0.53 -0.08 0.00 0.00 0.00 178.15 178.47 3hlm h GLU 266 N -1.10 0.00 -0.02 2.37 4.81 -1.13 1.29 114.58 120.80 3hlm h GLU 266 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hlm h GLU 266 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3hlm h GLU 266 CO 0.12 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.44 3hlm n GLN 267 N -2.95 1.48 -0.57 1.92 1.13 -0.59 -4.88 117.38 112.92 3hlm n GLN 267 Ca 0.01 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.37 3hlm n GLN 267 Cb 0.60 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 1.12 0.94 3.51 1.08 0.00 0.44 -5.06 105.19 107.22 3hlm n GLY 268 Ca 0.20 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 4.61 -1.19 -0.61 1.01 -0.81 -5.02 121.20 117.18 3hlm s ILE 269 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3hlm s ILE 269 Cb 0.00 -3.15 0.20 0.00 0.01 0.00 0.00 42.46 39.52 3hlm s ILE 269 CO 0.00 0.34 1.38 0.59 0.00 0.00 0.00 174.94 177.25 3hlm n ASN 270 N 4.70 5.31 -4.71 3.58 3.02 -1.26 -3.81 115.26 122.09 3hlm n ASN 270 Ca -0.16 -3.01 -0.30 0.00 -0.03 0.00 0.00 54.58 51.09 3hlm n ASN 270 Cb 0.52 -1.52 0.14 0.00 -0.61 0.00 0.00 39.78 38.31 3hlm n ASN 270 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3hlm s VAL 271 N 0.74 2.60 0.43 2.41 -7.23 -1.26 -4.68 120.40 113.40 3hlm s VAL 271 Ca 0.40 0.19 0.06 0.00 -1.81 0.00 0.00 61.98 60.82 3hlm s VAL 271 Cb -0.04 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 3hlm s VAL 271 CO -0.02 -0.25 0.13 0.00 -0.31 0.00 0.00 175.10 174.65 3hlm s LEU 273 N -3.88 -0.77 -0.16 0.00 2.96 0.72 -1.95 118.68 115.60 3hlm s LEU 273 Ca 0.35 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 3hlm s LEU 273 Cb 0.05 2.25 0.00 0.00 0.50 0.00 0.00 46.19 48.99 3hlm s LEU 273 CO 0.19 -0.21 -0.15 0.00 -1.32 0.00 0.00 176.35 174.85 3hlm s GLN 275 N 0.90 1.44 0.01 0.00 -0.21 -0.32 0.33 119.66 121.81 3hlm s GLN 275 Ca -0.04 -1.37 0.02 0.00 0.02 0.00 0.00 55.36 53.99 3hlm s GLN 275 Cb -0.15 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.95 3hlm s GLN 275 CO -0.02 0.44 -0.06 0.45 -2.12 0.00 0.00 175.29 173.98 3hlm s SER 276 N -2.16 0.71 -0.04 5.90 0.15 -1.05 -2.07 113.70 115.14 3hlm s SER 276 Ca 0.15 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.64 3hlm s SER 276 Cb -0.10 -0.04 0.18 0.00 -1.71 0.00 0.00 66.02 64.35 3hlm s SER 276 CO 0.07 -0.01 1.13 -1.22 1.20 0.00 0.00 173.24 174.40 3hlm n TYR 277 N 2.50 0.20 0.33 3.44 4.02 -0.96 -4.67 117.16 122.02 3hlm n TYR 277 Ca -0.16 -0.62 0.04 0.00 -0.01 0.00 0.00 57.90 57.14 3hlm n TYR 277 Cb 0.57 -0.09 0.18 0.00 -0.02 0.00 0.00 39.34 39.98 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 -0.42 1.49 0.00 -0.72 0.00 -1.26 -2.27 120.51 117.33 3hlm n ALA 278 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hlm n ALA 278 Cb 0.42 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.32 0.00 0.00 0.00 6.94 -1.26 -2.04 115.26 117.59 3hlm n ASN 280 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 3hlm n ASN 280 Cb 0.06 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3hlm n ASN 280 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 3hlm n MET 281 N 0.00 1.13 -1.35 -3.83 0.00 -1.11 -4.85 117.12 107.11 3hlm n MET 281 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 57.70 56.71 3hlm n MET 281 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 33.22 32.38 3hlm n MET 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hlm n GLY 282 N -0.21 1.23 0.14 -5.12 0.00 -1.03 -4.71 105.19 95.49 3hlm n GLY 282 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.38 0.42 0.00 0.99 4.77 -0.86 -4.86 117.00 116.08 3hlm n LEU 283 Ca -0.12 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hlm n LEU 283 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hlm n LEU 283 CO 0.18 0.09 0.00 -1.22 -1.33 0.00 0.00 177.39 175.11 3hlm n TYR 284 N -0.51 0.00 0.74 -1.77 4.01 -1.05 0.37 117.16 118.95 3hlm n TYR 284 Ca 0.15 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 3hlm n TYR 284 Cb 0.13 0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.52 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 -0.46 0.10 2.72 0.00 -1.26 -2.38 105.19 103.90 3hlm n GLY 285 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.07 0.55 -2.44 1.61 -0.58 0.16 -5.01 120.64 113.85 3hlm n GLU 286 Ca 0.09 0.11 -0.01 0.00 -0.42 0.00 0.00 57.16 56.93 3hlm n GLU 286 Cb 0.06 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 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 -2.56 -0.83 -4.39 3.49 5.12 -1.00 -4.54 116.66 111.95 3hlm n ARG 287 Ca 0.00 1.06 -0.33 0.00 -1.93 0.00 0.00 57.85 56.65 3hlm n ARG 287 Cb 0.53 -4.06 -0.16 0.00 -1.16 0.00 0.00 32.46 27.62 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 -3.02 2.50 0.32 1.55 1.01 -1.26 -3.02 120.40 118.48 3hlm s VAL 288 Ca 0.02 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3hlm s VAL 288 Cb -0.00 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.38 3hlm s VAL 288 CO 0.45 0.52 0.85 -0.83 0.00 0.00 0.00 175.10 176.09 3hlm s GLY 289 N 1.00 0.24 -0.03 4.51 0.00 -1.07 -2.26 107.32 109.70 3hlm s GLY 289 Ca -0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 44.72 43.99 3hlm s GLY 289 CO -0.04 0.39 0.30 0.00 0.00 0.00 0.00 173.10 173.76 3hlm s ALA 290 N -2.46 -0.76 -0.10 3.20 0.00 -0.88 -0.86 121.76 119.91 3hlm s ALA 290 Ca 0.16 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 3hlm s ALA 290 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3hlm s ALA 290 CO 0.09 -0.24 -0.07 0.12 0.00 0.00 0.00 175.76 175.66 3hlm s PHE 291 N -1.14 2.94 -0.03 0.00 5.36 -0.10 -1.18 117.98 123.82 3hlm s PHE 291 Ca -0.12 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 3hlm s PHE 291 Cb -0.05 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3hlm s PHE 291 CO 0.04 0.16 -0.10 0.99 -1.46 0.00 0.00 175.22 174.85 3hlm s THR 292 N -0.34 0.84 -0.06 0.12 2.01 0.24 -1.52 115.64 116.93 3hlm s THR 292 Ca 0.05 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.71 3hlm s THR 292 Cb -0.12 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3hlm s THR 292 CO 0.02 0.27 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.33 3hlm s VAL 293 N 0.27 2.55 -0.19 3.82 1.01 -0.42 -0.20 120.40 127.24 3hlm s VAL 293 Ca -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3hlm s VAL 293 Cb -0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3hlm s VAL 293 CO 0.01 0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 174.98 3hlm s VAL 294 N -0.40 3.89 0.44 2.92 1.01 -0.99 -0.86 120.40 126.41 3hlm s VAL 294 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3hlm s VAL 294 Cb -0.12 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3hlm s VAL 294 CO 0.02 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.72 3hlm h LYS 296 N 0.00 0.28 0.00 0.00 3.64 -1.96 -3.45 116.57 115.08 3hlm h LYS 296 Ca -0.32 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 3hlm h LYS 296 Cb 1.06 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3hlm h LYS 296 CO 0.52 0.61 0.23 -0.40 -2.27 0.00 0.00 179.45 178.15 3hlm n ASP 297 N -4.06 -1.14 0.13 4.20 5.68 -1.26 -4.99 116.55 115.10 3hlm n ASP 297 Ca -0.01 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 3hlm n ASP 297 Cb 0.45 1.89 0.29 0.00 -1.14 0.00 0.00 41.12 42.61 3hlm n ASP 297 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hlm h ALA 298 N 2.00 1.26 -0.02 2.12 0.00 -1.79 -2.73 119.26 120.09 3hlm h ALA 298 Ca -0.17 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 3hlm h ALA 298 Cb 0.68 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hlm h ALA 298 CO 0.22 0.52 -0.71 1.49 0.00 0.00 0.00 179.25 180.77 3hlm h GLU 299 N 0.13 0.51 -0.57 0.00 4.22 -1.96 -2.32 114.58 114.59 3hlm h GLU 299 Ca 0.01 -0.53 0.11 0.00 0.08 0.00 0.00 59.36 59.03 3hlm h GLU 299 Cb 0.70 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 3hlm h GLU 299 CO 0.05 1.16 0.09 1.49 -2.18 0.00 0.00 179.01 179.63 3hlm h GLU 300 N 0.07 0.21 0.00 1.92 4.81 -1.95 -2.32 114.58 117.33 3hlm h GLU 300 Ca -0.08 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3hlm h GLU 300 Cb 1.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 3hlm h GLU 300 CO 0.14 0.14 -0.18 0.00 -0.73 0.00 0.00 179.01 178.38 3hlm h ALA 301 N 1.47 1.52 -0.38 2.92 0.00 -1.36 -0.25 119.26 123.18 3hlm h ALA 301 Ca 0.30 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3hlm h ALA 301 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hlm h ALA 301 CO -0.40 0.23 -0.15 0.87 0.00 0.00 0.00 179.25 179.80 3hlm h LYS 302 N 0.00 0.77 0.64 0.00 1.79 -0.87 0.27 116.57 119.16 3hlm h LYS 302 Ca -0.00 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.12 3hlm h LYS 302 Cb 0.37 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3hlm h LYS 302 CO 0.02 0.93 -0.38 0.00 -1.08 0.00 0.00 179.45 178.95 3hlm h ARG 303 N 0.56 -0.92 -0.37 3.15 3.08 -1.31 -1.12 114.38 117.46 3hlm h ARG 303 Ca 0.09 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.28 3hlm h ARG 303 Cb 0.69 0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 3hlm h ARG 303 CO 0.05 -0.62 -0.24 0.28 -1.07 0.00 0.00 179.97 178.38 3hlm h VAL 304 N -0.96 0.36 -0.98 2.04 2.07 -0.97 -0.56 116.25 117.25 3hlm h VAL 304 Ca -0.08 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.64 3hlm h VAL 304 Cb 0.77 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 3hlm h VAL 304 CO 0.09 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.21 3hlm h GLU 305 N -0.18 0.63 -0.31 1.57 4.81 -0.38 0.14 114.58 120.85 3hlm h GLU 305 Ca 0.18 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 3hlm h GLU 305 Cb 0.47 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3hlm h GLU 305 CO -0.48 0.42 -0.47 0.66 -0.73 0.00 0.00 179.01 178.41 3hlm h SER 306 N 0.65 0.91 0.32 1.04 4.64 0.21 -0.47 113.55 120.85 3hlm h SER 306 Ca 0.55 -0.45 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 3hlm h SER 306 Cb 1.01 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3hlm h SER 306 CO -0.32 1.23 -0.73 1.56 -0.87 0.00 0.00 176.83 177.70 3hlm h GLN 307 N 0.66 0.35 -0.10 4.77 1.08 -0.76 -1.77 115.11 119.34 3hlm h GLN 307 Ca 0.04 -0.29 0.01 0.00 -1.45 0.00 0.00 58.65 56.95 3hlm h GLN 307 Cb 1.05 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 3hlm h GLN 307 CO 0.10 0.94 0.02 -0.07 -0.95 0.00 0.00 178.83 178.88 3hlm h LEU 308 N 0.24 0.02 -1.35 1.46 3.38 -0.85 -0.68 115.31 117.53 3hlm h LEU 308 Ca -0.03 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.12 3hlm h LEU 308 Cb 1.30 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 3hlm h LEU 308 CO 0.12 0.03 0.58 0.11 0.09 0.00 0.00 178.44 179.37 3hlm h LYS 309 N 0.07 0.57 0.00 1.13 1.57 -0.93 0.39 116.57 119.37 3hlm h LYS 309 Ca 0.04 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3hlm h LYS 309 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hlm h LYS 309 CO -0.05 0.38 -0.35 0.82 -0.57 0.00 0.00 179.45 179.68 3hlm h ILE 310 N 0.59 1.20 0.17 1.86 2.04 -0.27 -1.34 117.51 121.77 3hlm h ILE 310 Ca 0.46 -1.23 -0.31 0.00 1.00 0.00 0.00 64.86 64.79 3hlm h ILE 310 Cb 0.89 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3hlm h ILE 310 CO -0.21 0.35 -1.44 -0.07 0.00 0.00 0.00 178.15 176.78 3hlm h LEU 311 N 0.00 0.57 -0.34 1.44 -0.00 0.32 -3.36 115.31 113.94 3hlm h LEU 311 Ca -0.00 -0.66 -0.09 0.00 -0.00 0.00 0.00 57.88 57.12 3hlm h LEU 311 Cb 0.64 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 3hlm h LEU 311 CO 0.05 1.53 -0.13 0.40 -0.00 0.00 0.00 178.44 180.28 3hlm h ILE 312 N 0.10 1.29 -0.76 1.22 2.04 -0.64 -3.26 117.51 117.50 3hlm h ILE 312 Ca -0.22 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 64.51 3hlm h ILE 312 Cb 2.06 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 39.44 3hlm h ILE 312 CO 0.21 0.40 0.41 -0.09 0.00 0.00 0.00 178.15 179.08 3hlm h ARG 313 N 0.46 0.66 -0.00 2.37 2.43 -1.40 0.50 114.38 119.40 3hlm h ARG 313 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hlm h ARG 313 Cb 0.66 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3hlm h ARG 313 CO 0.04 0.44 -0.02 -2.30 -1.51 0.00 0.00 179.97 176.63 3hlm n PRO 314 N -4.81 1.00 -0.07 0.20 -0.02 -1.23 -2.08 135.00 127.98 3hlm n PRO 314 Ca 0.12 -0.19 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 3hlm n PRO 314 Cb 0.28 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.46 0.00 -0.47 2.45 3.38 -0.96 -3.46 115.31 116.71 3hlm h LEU 315 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3hlm h LEU 315 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hlm h LEU 315 CO 0.00 0.97 -0.02 0.00 0.09 0.00 0.00 178.44 179.48 3hlm n TYR 316 N -4.60 0.00 0.00 1.13 0.18 -0.96 -5.07 117.16 107.84 3hlm n TYR 316 Ca -0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.65 3hlm n TYR 316 Cb 0.39 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 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 -3.54 9.48 7.64 -0.88 -4.71 113.62 121.60 3hlm n SER 317 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 3hlm n SER 317 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.40 0.45 6.43 2.20 -1.26 -4.44 114.94 117.92 3hlm s ASN 318 Ca 0.00 -0.11 -0.02 0.00 -0.94 0.00 0.00 52.86 51.79 3hlm s ASN 318 Cb 0.00 0.50 -0.02 0.00 -2.00 0.00 0.00 41.25 39.73 3hlm s ASN 318 CO 0.00 -0.83 0.70 -2.16 -2.94 0.00 0.00 177.10 171.86 3hlm s PRO 319 N -3.41 3.32 0.41 3.55 0.04 -1.26 -5.01 135.00 132.64 3hlm s PRO 319 Ca 0.05 -0.17 -0.25 0.00 0.04 0.00 0.00 61.00 60.67 3hlm s PRO 319 Cb -0.01 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 3hlm s PRO 319 CO -0.07 -0.18 1.23 -1.25 0.04 0.00 0.00 177.00 176.77 3hlm s PRO 320 N -4.59 3.95 -0.06 0.56 0.04 -1.26 -4.64 135.00 129.00 3hlm s PRO 320 Ca 0.46 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.27 3hlm s PRO 320 Cb -0.10 -2.67 -0.15 0.00 0.04 0.00 0.00 34.50 31.62 3hlm s PRO 320 CO 0.40 -0.45 0.84 -0.07 0.04 0.00 0.00 177.00 177.76 3hlm h LEU 321 N 2.55 -0.17 -0.08 -3.56 3.38 -1.95 -3.39 115.31 112.09 3hlm h LEU 321 Ca -0.49 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.12 3hlm h LEU 321 Cb 1.24 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3hlm h LEU 321 CO 0.62 0.40 -0.11 -1.13 0.09 0.00 0.00 178.44 178.31 3hlm h ASN 322 N -0.87 -0.36 -0.09 -0.43 -1.24 -1.94 -1.11 115.58 109.54 3hlm h ASN 322 Ca -0.02 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 3hlm h ASN 322 Cb 0.53 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 3hlm h ASN 322 CO 0.03 -0.08 0.02 1.23 -1.29 0.00 0.00 177.43 177.35 3hlm h GLY 323 N -0.07 0.23 1.22 1.57 0.00 -1.80 0.18 103.07 104.39 3hlm h GLY 323 Ca 0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 3hlm h GLY 323 CO -0.12 0.10 -0.50 0.00 0.00 0.00 0.00 176.54 176.03 3hlm h ALA 324 N 1.81 0.55 0.34 3.60 0.00 -1.60 0.12 119.26 124.09 3hlm h ALA 324 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hlm h ALA 324 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hlm h ALA 324 CO -0.00 0.68 -0.16 0.00 0.00 0.00 0.00 179.25 179.77 3hlm h ARG 325 N 0.65 -0.44 -0.09 0.00 3.08 0.13 0.49 114.38 118.21 3hlm h ARG 325 Ca 0.03 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3hlm h ARG 325 Cb 1.09 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 3hlm h ARG 325 CO 0.11 -0.27 -0.44 0.82 -1.07 0.00 0.00 179.97 179.12 3hlm h ILE 326 N -0.49 0.13 -0.41 2.04 2.04 -0.99 -0.75 117.51 119.08 3hlm h ILE 326 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3hlm h ILE 326 Cb 0.37 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3hlm h ILE 326 CO 0.08 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.31 3hlm h ALA 327 N 0.01 1.38 -0.34 1.87 0.00 -0.63 -2.46 119.26 119.09 3hlm h ALA 327 Ca 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hlm h ALA 327 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hlm h ALA 327 CO -0.38 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 3hlm h ALA 328 N 1.49 0.46 -0.23 0.00 0.00 -0.64 -1.44 119.26 118.91 3hlm h ALA 328 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hlm h ALA 328 Cb 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3hlm h ALA 328 CO -0.00 0.25 -0.46 1.15 0.00 0.00 0.00 179.25 180.19 3hlm h THR 329 N 0.42 0.09 -0.00 0.00 2.02 -0.72 -2.43 112.91 112.28 3hlm h THR 329 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3hlm h THR 329 Cb 0.49 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3hlm h THR 329 CO 0.02 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.31 3hlm h ILE 330 N -0.46 1.03 0.00 3.11 2.04 -1.40 -1.53 117.51 120.30 3hlm h ILE 330 Ca 0.08 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3hlm h ILE 330 Cb 0.63 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3hlm h ILE 330 CO -0.47 0.02 -0.10 -0.07 0.00 0.00 0.00 178.15 177.53 3hlm h LEU 331 N -0.04 0.00 0.02 1.44 3.38 -0.91 -3.18 115.31 116.02 3hlm h LEU 331 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3hlm h LEU 331 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3hlm h LEU 331 CO -0.00 0.10 -1.89 0.35 0.09 0.00 0.00 178.44 177.09 3hlm n THR 332 N -3.38 1.57 -1.68 0.22 -2.24 -0.95 -4.77 114.28 103.05 3hlm n THR 332 Ca -0.01 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 3hlm n THR 332 Cb 0.28 -1.88 -0.04 0.00 -2.10 0.00 0.00 70.33 66.59 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 -7.05 4.56 0.00 3.42 0.15 -0.60 -4.80 113.70 109.39 3hlm s SER 333 Ca -0.32 0.70 0.30 0.00 0.70 0.00 0.00 55.95 57.33 3hlm s SER 333 Cb 0.09 -2.52 1.43 0.00 -1.71 0.00 0.00 66.02 63.31 3hlm s SER 333 CO 0.59 -2.91 1.98 -0.81 1.20 0.00 0.00 173.24 173.29 3hlm n PRO 334 N 9.02 0.72 0.10 5.44 -0.04 -1.26 -0.79 135.00 148.18 3hlm n PRO 334 Ca 0.35 -0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 3hlm n PRO 334 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 3hlm n PRO 334 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3hlm h ASP 335 N 0.39 0.71 -0.95 3.54 3.04 -1.91 -3.03 116.42 118.22 3hlm h ASP 335 Ca 0.00 -0.93 0.08 0.00 -3.24 0.00 0.00 57.03 52.94 3hlm h ASP 335 Cb 0.28 -0.23 -0.07 0.00 -1.04 0.00 0.00 39.33 38.27 3hlm h ASP 335 CO 0.00 1.73 0.61 -0.07 -2.04 0.00 0.00 179.24 179.47 3hlm h LEU 336 N 0.08 0.92 0.00 0.15 3.38 -1.44 -2.00 115.31 116.39 3hlm h LEU 336 Ca -0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hlm h LEU 336 Cb 2.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.66 3hlm h LEU 336 CO 0.22 0.57 0.00 -1.14 0.09 0.00 0.00 178.44 178.17 3hlm n ARG 337 N -4.52 0.13 -0.09 1.13 0.63 0.03 -1.54 116.66 112.44 3hlm n ARG 337 Ca 0.15 0.20 -0.23 0.00 -0.92 0.00 0.00 57.85 57.05 3hlm n ARG 337 Cb 0.24 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.54 3hlm n ARG 337 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3hlm n LYS 338 N -1.30 0.63 0.00 -0.14 0.00 -0.81 -3.41 118.16 113.13 3hlm n LYS 338 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 58.31 58.74 3hlm n LYS 338 Cb 0.09 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.46 3hlm n LYS 338 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3hlm n GLN 339 N -4.05 0.00 -0.07 1.64 7.27 -0.80 -3.43 117.38 117.94 3hlm n GLN 339 Ca -0.39 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.67 3hlm n GLN 339 Cb 0.85 -0.91 -0.00 0.00 2.41 0.00 0.00 30.24 32.59 3hlm n GLN 339 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 3hlm n TRP 340 N -0.48 -0.03 0.14 3.69 -0.00 -0.59 0.19 117.44 120.37 3hlm n TRP 340 Ca 0.00 0.22 0.08 0.00 -0.00 0.00 0.00 57.50 57.80 3hlm n TRP 340 Cb 0.00 -0.55 0.41 0.00 -0.00 0.00 0.00 31.31 31.18 3hlm n TRP 340 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 3hlm n LEU 341 N -4.25 0.39 -0.02 5.87 7.94 -1.22 -0.43 117.00 125.28 3hlm n LEU 341 Ca 0.01 0.63 -0.03 0.00 -1.11 0.00 0.00 56.01 55.51 3hlm n LEU 341 Cb 0.06 -0.63 -0.03 0.00 0.53 0.00 0.00 43.42 43.35 3hlm n LEU 341 CO -0.03 -0.76 -0.66 0.00 -1.11 0.00 0.00 177.39 174.83 3hlm n GLN 342 N -2.06 2.28 -0.33 1.96 3.00 0.51 -2.92 117.38 119.82 3hlm n GLN 342 Ca -0.01 0.01 0.23 0.00 -0.01 0.00 0.00 57.00 57.22 3hlm n GLN 342 Cb 0.17 -1.12 0.46 0.00 0.00 0.00 0.00 30.24 29.75 3hlm n GLN 342 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3hlm h GLU 343 N 0.00 0.25 -0.26 -1.09 5.08 -0.40 -1.52 114.58 116.64 3hlm h GLU 343 Ca -0.13 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.03 3hlm h GLU 343 Cb 1.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hlm h GLU 343 CO -0.00 0.17 -0.57 0.28 -1.00 0.00 0.00 179.01 177.89 3hlm h VAL 344 N 0.26 1.28 -0.78 3.13 2.07 -0.85 -3.03 116.25 118.33 3hlm h VAL 344 Ca 0.72 -1.76 0.08 0.00 0.82 0.00 0.00 66.70 66.56 3hlm h VAL 344 Cb 1.65 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 3hlm h VAL 344 CO -0.64 0.57 0.51 0.50 0.02 0.00 0.00 177.57 178.52 3hlm h LYS 345 N 0.62 0.74 -0.58 1.57 1.63 -1.17 -2.11 116.57 117.27 3hlm h LYS 345 Ca 0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3hlm h LYS 345 Cb 1.17 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 3hlm h LYS 345 CO 0.12 0.49 0.00 0.41 -3.45 0.00 0.00 179.45 177.02 3hlm n GLY 346 N -1.44 2.94 0.14 5.01 0.00 -0.90 -1.69 105.19 109.25 3hlm n GLY 346 Ca 0.12 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 0.83 0.61 0.28 1.61 2.81 -1.13 -4.25 117.12 117.88 3hlm n MET 347 Ca 0.25 0.23 0.17 0.00 -1.81 0.00 0.00 57.70 56.53 3hlm n MET 347 Cb 0.91 -1.50 0.79 0.00 -0.71 0.00 0.00 33.22 32.71 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 -0.65 1.05 0.10 3.04 0.00 -1.19 -2.78 119.26 118.82 3hlm h ALA 348 Ca -0.66 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 53.92 3hlm h ALA 348 Cb 1.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3hlm h ALA 348 CO -0.31 0.06 -1.50 -0.44 0.00 0.00 0.00 179.25 177.05 3hlm h ASP 349 N 0.00 0.32 -0.36 0.00 3.32 -1.56 -0.99 116.42 117.14 3hlm h ASP 349 Ca -0.00 -0.82 0.07 0.00 0.02 0.00 0.00 57.03 56.30 3hlm h ASP 349 Cb 0.40 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 3hlm h ASP 349 CO 0.01 1.64 -0.39 -0.09 -1.72 0.00 0.00 179.24 178.69 3hlm h ARG 350 N -0.35 -0.31 -0.39 3.56 2.43 -1.71 0.54 114.38 118.14 3hlm h ARG 350 Ca -0.34 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3hlm h ARG 350 Cb 1.73 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 31.26 3hlm h ARG 350 CO 0.02 -0.21 -0.24 0.82 -1.51 0.00 0.00 179.97 178.85 3hlm h ILE 351 N -0.32 0.36 -0.01 1.20 1.08 -1.57 0.67 117.51 118.92 3hlm h ILE 351 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 3hlm h ILE 351 Cb 0.57 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3hlm h ILE 351 CO -0.54 0.00 -0.03 0.40 -0.69 0.00 0.00 178.15 177.30 3hlm h ILE 352 N -0.17 1.02 0.00 -0.67 2.04 0.18 -2.30 117.51 117.61 3hlm h ILE 352 Ca 0.19 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3hlm h ILE 352 Cb 0.47 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3hlm h ILE 352 CO -0.49 0.03 -0.56 0.77 0.00 0.00 0.00 178.15 177.90 3hlm h SER 353 N 0.01 0.00 -0.42 1.72 4.64 0.54 -2.54 113.55 117.50 3hlm h SER 353 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3hlm h SER 353 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3hlm h SER 353 CO 0.00 0.37 -0.18 0.24 -0.87 0.00 0.00 176.83 176.39 3hlm h MET 354 N 0.00 0.91 0.00 4.77 2.86 -0.49 0.89 114.93 123.87 3hlm h MET 354 Ca -0.02 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 3hlm h MET 354 Cb 1.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 3hlm h MET 354 CO 0.04 1.01 -0.32 0.00 1.06 0.00 0.00 176.91 178.71 3hlm h ARG 355 N 0.80 0.00 0.00 1.72 3.08 -1.27 -0.09 114.38 118.62 3hlm h ARG 355 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hlm h ARG 355 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3hlm h ARG 355 CO 0.06 0.32 -0.01 1.15 -1.07 0.00 0.00 179.97 180.42 3hlm h THR 356 N 0.00 1.59 0.00 2.04 2.02 -1.02 -2.37 112.91 115.16 3hlm h THR 356 Ca -0.00 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3hlm h THR 356 Cb 0.67 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 3hlm h THR 356 CO 0.04 0.54 0.00 1.56 0.37 0.00 0.00 175.52 178.03 3hlm h GLN 357 N -1.00 0.00 0.00 6.66 4.20 0.88 -0.55 115.11 125.31 3hlm h GLN 357 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3hlm h GLN 357 Cb 0.89 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 3hlm h GLN 357 CO -0.00 0.00 -0.19 1.25 -0.67 0.00 0.00 178.83 179.22 3hlm h LEU 358 N 0.00 0.00 -2.08 1.46 5.85 -0.96 -1.63 115.31 117.94 3hlm h LEU 358 Ca 0.00 -0.78 0.06 0.00 0.84 0.00 0.00 57.88 57.99 3hlm h LEU 358 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3hlm h LEU 358 CO 0.00 1.00 0.15 0.58 -0.34 0.00 0.00 178.44 179.84 3hlm h VAL 359 N -1.00 0.78 0.05 1.05 2.07 -1.27 -1.87 116.25 116.07 3hlm h VAL 359 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hlm h VAL 359 Cb 0.91 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3hlm h VAL 359 CO -0.03 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.25 3hlm h SER 360 N 0.00 -0.06 -1.18 0.57 0.87 -1.08 -3.18 113.55 109.49 3hlm h SER 360 Ca 0.09 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.99 3hlm h SER 360 Cb 0.40 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.29 3hlm h SER 360 CO -0.00 -0.04 0.80 0.78 -0.53 0.00 0.00 176.83 177.84 3hlm h ASN 361 N -0.08 0.24 0.90 6.23 -0.26 -1.13 0.27 115.58 121.74 3hlm h ASN 361 Ca -0.01 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3hlm h ASN 361 Cb 0.06 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 3hlm h ASN 361 CO 0.01 0.00 0.00 -0.07 -1.06 0.00 0.00 177.43 176.32 3hlm h LEU 362 N 0.18 0.00 0.00 1.61 3.38 -1.37 -0.43 115.31 118.68 3hlm h LEU 362 Ca 0.64 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.42 3hlm h LEU 362 Cb 2.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.79 3hlm h LEU 362 CO -0.21 0.00 -1.05 0.50 0.09 0.00 0.00 178.44 177.77 3hlm h LYS 363 N 0.00 0.00 -0.95 1.13 3.64 -0.45 -0.78 116.57 119.16 3hlm h LYS 363 Ca 0.00 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.65 3hlm h LYS 363 Cb 0.45 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.10 3hlm h LYS 363 CO 0.00 1.00 0.12 0.87 -2.27 0.00 0.00 179.45 179.17 3hlm h LYS 364 N -1.00 0.06 0.00 1.90 1.57 -1.46 -1.89 116.57 115.75 3hlm h LYS 364 Ca -0.29 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3hlm h LYS 364 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3hlm h LYS 364 CO -0.18 0.04 0.00 0.93 -0.57 0.00 0.00 179.45 179.67 3hlm h GLU 365 N 0.06 0.00 0.00 3.15 4.39 -1.13 -3.45 114.58 117.60 3hlm h GLU 365 Ca 0.60 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.30 3hlm h GLU 365 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3hlm h GLU 365 CO -0.83 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.43 3hlm n GLY 366 N -0.02 1.40 3.76 -3.84 0.00 -0.71 -5.08 105.19 100.72 3hlm n GLY 366 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3hlm n GLY 366 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hlm s SER 367 N -1.68 7.05 -0.15 1.61 0.15 -0.30 -4.87 113.70 115.51 3hlm s SER 367 Ca 0.00 2.32 0.16 0.00 0.70 0.00 0.00 55.95 59.12 3hlm s SER 367 Cb 0.00 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.21 3hlm s SER 367 CO 0.00 -0.30 1.43 -1.54 1.20 0.00 0.00 173.24 174.03 3hlm n SER 368 N 0.87 3.89 -4.91 5.45 3.41 -1.26 -4.79 113.62 116.28 3hlm n SER 368 Ca 0.00 -2.82 -0.32 0.00 -0.26 0.00 0.00 58.87 55.48 3hlm n SER 368 Cb 0.45 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3hlm n SER 368 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hlm s HIS 369 N -2.48 3.52 -0.51 7.33 3.76 -1.26 -5.05 115.29 120.61 3hlm s HIS 369 Ca 0.40 0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 55.43 3hlm s HIS 369 Cb 0.31 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 32.14 3hlm s HIS 369 CO 0.11 0.56 1.44 1.21 -0.85 0.00 0.00 174.74 177.21 3hlm s ASN 370 N -2.28 6.15 -0.12 1.40 3.84 -1.26 -4.89 114.94 117.78 3hlm s ASN 370 Ca 0.34 0.50 0.16 0.00 0.21 0.00 0.00 52.86 54.07 3hlm s ASN 370 Cb -0.13 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.62 3hlm s ASN 370 CO 0.24 -1.65 1.50 0.79 -2.79 0.00 0.00 177.10 175.19 3hlm n TRP 371 N 9.49 1.16 0.03 0.43 7.02 -1.26 -4.74 117.44 129.57 3hlm n TRP 371 Ca 0.14 -0.68 -0.05 0.00 -1.02 0.00 0.00 57.50 55.89 3hlm n TRP 371 Cb 0.49 -0.25 0.16 0.00 -2.42 0.00 0.00 31.31 29.29 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 2.93 0.44 -1.52 -0.99 3.07 -1.97 -2.12 115.11 114.95 3hlm h GLN 372 Ca 0.00 -0.21 0.46 0.00 0.09 0.00 0.00 58.65 58.99 3hlm h GLN 372 Cb 1.36 -0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.82 3hlm h GLN 372 CO 0.21 0.75 1.05 1.12 0.09 0.00 0.00 178.83 182.05 3hlm h HIS 373 N 0.37 0.22 -0.19 0.06 2.07 -1.87 1.04 115.15 116.84 3hlm h HIS 373 Ca 0.04 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.50 3hlm h HIS 373 Cb 0.83 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.74 3hlm h HIS 373 CO 0.03 -0.07 -0.17 0.82 -3.07 0.00 0.00 177.93 175.47 3hlm h ILE 374 N 0.05 1.21 0.00 6.12 2.04 -1.72 -1.49 117.51 123.72 3hlm h ILE 374 Ca 0.79 -0.96 -0.28 0.00 1.00 0.00 0.00 64.86 65.41 3hlm h ILE 374 Cb 2.89 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 40.17 3hlm h ILE 374 CO -0.16 0.30 -1.90 0.35 0.00 0.00 0.00 178.15 176.74 3hlm n THR 375 N -4.22 1.37 0.10 -0.27 -2.24 0.34 -3.94 114.28 105.43 3hlm n THR 375 Ca -0.00 -0.78 0.05 0.00 -2.27 0.00 0.00 64.05 61.05 3hlm n THR 375 Cb 0.31 -0.73 0.49 0.00 -2.10 0.00 0.00 70.33 68.31 3hlm n THR 375 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hlm h ASP 376 N 0.00 0.28 -4.23 3.42 5.19 -0.96 -3.44 116.42 116.68 3hlm h ASP 376 Ca -0.34 -0.01 -0.49 0.00 -0.62 0.00 0.00 57.03 55.57 3hlm h ASP 376 Cb 1.96 -0.07 0.12 0.00 0.18 0.00 0.00 39.33 41.52 3hlm h ASP 376 CO 0.05 0.23 0.31 -1.10 -3.12 0.00 0.00 179.24 175.62 3hlm s GLN 377 N -5.25 1.95 -0.04 3.56 -0.21 -0.57 -4.84 119.66 114.27 3hlm s GLN 377 Ca -0.07 0.81 0.04 0.00 0.02 0.00 0.00 55.36 56.16 3hlm s GLN 377 Cb 0.17 -1.89 -0.00 0.00 1.00 0.00 0.00 33.01 32.29 3hlm s GLN 377 CO 0.71 -1.75 -0.17 0.42 -2.12 0.00 0.00 175.29 172.38 3hlm s ILE 378 N -3.04 1.40 0.00 1.08 1.09 0.25 -4.99 121.20 116.98 3hlm s ILE 378 Ca 0.61 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 59.46 3hlm s ILE 378 Cb -0.16 -1.20 0.00 0.00 -1.06 0.00 0.00 42.46 40.04 3hlm s ILE 378 CO 0.55 0.40 0.00 0.61 -0.10 0.00 0.00 174.94 176.41 3hlm n GLY 379 N 3.09 -0.74 0.04 6.18 0.00 -1.26 -4.40 105.19 108.09 3hlm n GLY 379 Ca -0.18 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.17 0.27 -4.34 1.61 0.00 -1.26 -4.84 117.12 108.39 3hlm n MET 380 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 57.70 57.28 3hlm n MET 380 Cb 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.62 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 -2.78 3.12 -0.21 3.17 0.08 -1.26 0.11 117.98 120.21 3hlm s PHE 381 Ca 0.20 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.26 3hlm s PHE 381 Cb 0.19 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3hlm s PHE 381 CO 0.54 0.24 -0.10 0.00 -0.10 0.00 0.00 175.22 175.80 3hlm s PHE 383 N 1.36 2.16 0.11 0.00 0.40 -1.01 -0.67 117.98 120.33 3hlm s PHE 383 Ca -0.02 0.51 0.17 0.00 -0.60 0.00 0.00 56.93 56.98 3hlm s PHE 383 Cb -0.17 -4.34 0.48 0.00 0.51 0.00 0.00 43.02 39.51 3hlm s PHE 383 CO -0.08 -2.10 1.64 1.79 0.70 0.00 0.00 175.22 177.17 3hlm h THR 384 N 6.47 0.98 0.00 0.64 1.35 -1.69 -3.47 112.91 117.18 3hlm h THR 384 Ca -0.27 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 3hlm h THR 384 Cb 1.11 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3hlm h THR 384 CO 1.17 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 177.50 3hlm n GLY 385 N 0.49 0.36 3.78 5.82 0.00 -1.26 -5.03 105.19 109.35 3hlm n GLY 385 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hlm n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hlm s LEU 386 N 0.00 4.31 0.42 0.99 1.43 -1.26 -5.02 118.68 119.54 3hlm s LEU 386 Ca 0.00 3.06 -0.01 0.00 -1.03 0.00 0.00 54.13 56.15 3hlm s LEU 386 Cb 0.00 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3hlm s LEU 386 CO 0.00 -0.90 0.65 -0.54 0.23 0.00 0.00 176.35 175.80 3hlm s LYS 387 N -2.12 3.34 0.32 1.70 1.02 -1.26 -4.32 119.74 118.42 3hlm s LYS 387 Ca 0.53 -0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.33 3hlm s LYS 387 Cb -0.47 -2.55 0.73 0.00 -0.52 0.00 0.00 37.83 35.02 3hlm s LYS 387 CO 0.63 -0.10 1.84 -1.35 -0.92 0.00 0.00 175.35 175.45 3hlm h PRO 388 N 0.48 0.77 -0.47 -1.68 0.11 -1.96 0.13 132.00 129.38 3hlm h PRO 388 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hlm h PRO 388 Cb 1.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hlm h PRO 388 CO 0.60 0.51 0.25 0.93 -0.21 0.00 0.00 178.00 180.08 3hlm h GLU 389 N 0.79 0.67 -0.19 1.05 3.07 -1.94 0.15 114.58 118.18 3hlm h GLU 389 Ca 0.49 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 59.18 3hlm h GLU 389 Cb 0.71 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3hlm h GLU 389 CO -0.26 0.54 -0.27 1.96 -1.40 0.00 0.00 179.01 179.58 3hlm h GLN 390 N 0.63 0.36 -0.45 2.33 4.20 -1.39 -1.86 115.11 118.92 3hlm h GLN 390 Ca 0.17 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3hlm h GLN 390 Cb 0.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3hlm h GLN 390 CO -0.02 0.60 0.04 0.28 -0.67 0.00 0.00 178.83 179.05 3hlm h VAL 391 N 0.32 1.25 -0.39 -0.54 2.07 -0.25 -1.97 116.25 116.75 3hlm h VAL 391 Ca 0.05 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3hlm h VAL 391 Cb 0.64 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 3hlm h VAL 391 CO 0.05 0.34 -0.55 -0.33 0.02 0.00 0.00 177.57 177.10 3hlm h GLU 392 N 0.62 -0.39 -0.72 1.57 5.08 -0.02 -1.65 114.58 119.07 3hlm h GLU 392 Ca 0.13 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3hlm h GLU 392 Cb 0.44 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3hlm h GLU 392 CO 0.02 -0.26 0.47 0.00 -1.00 0.00 0.00 179.01 178.24 3hlm h ARG 393 N -0.41 0.60 -0.28 2.33 3.08 -1.26 -0.26 114.38 118.17 3hlm h ARG 393 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3hlm h ARG 393 Cb 0.60 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3hlm h ARG 393 CO -0.58 0.39 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.56 3hlm h LEU 394 N 0.61 0.43 0.23 3.04 3.38 -0.53 0.29 115.31 122.76 3hlm h LEU 394 Ca 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3hlm h LEU 394 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hlm h LEU 394 CO -0.11 0.55 -0.11 0.74 0.09 0.00 0.00 178.44 179.60 3hlm h THR 395 N 0.43 0.00 -0.44 0.22 2.02 -0.64 0.38 112.91 114.88 3hlm h THR 395 Ca 0.09 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3hlm h THR 395 Cb 0.40 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3hlm h THR 395 CO 0.02 0.00 0.14 0.11 0.37 0.00 0.00 175.52 176.16 3hlm h LYS 396 N -0.88 0.65 0.00 6.66 1.57 -1.07 -1.35 116.57 122.14 3hlm h LYS 396 Ca -0.03 -0.10 -0.29 0.00 -1.87 0.00 0.00 60.65 58.36 3hlm h LYS 396 Cb 0.24 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 3hlm h LYS 396 CO 0.05 0.56 -2.24 0.39 -0.57 0.00 0.00 179.45 177.65 3hlm n GLU 397 N -4.34 0.68 0.00 3.15 1.02 0.10 -4.70 120.64 116.55 3hlm n GLU 397 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3hlm n GLU 397 Cb 0.18 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3hlm n GLU 397 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3hlm n PHE 398 N -2.68 0.00 -0.61 -0.32 3.72 -0.94 -5.02 117.46 111.61 3hlm n PHE 398 Ca -0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 3hlm n PHE 398 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 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 -1.60 -1.84 -4.57 4.37 7.64 0.12 -4.58 113.62 113.15 3hlm n SER 399 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3hlm n SER 399 Cb 0.16 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.00 4.63 -0.26 0.44 1.01 -0.25 -2.60 120.40 121.37 3hlm s VAL 400 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 3hlm s VAL 400 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3hlm s VAL 400 CO 0.00 -0.61 0.25 -0.31 0.00 0.00 0.00 175.10 174.43 3hlm s TYR 401 N 3.36 3.27 0.20 5.22 1.51 -0.58 -3.26 117.35 127.08 3hlm s TYR 401 Ca 0.33 0.29 -0.19 0.00 -1.01 0.00 0.00 57.07 56.49 3hlm s TYR 401 Cb -0.12 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 39.35 3hlm s TYR 401 CO 0.21 -0.10 0.57 0.00 -1.11 0.00 0.00 175.55 175.12 3hlm s MET 402 N 1.59 1.43 0.59 -0.62 0.23 -1.26 -1.32 119.30 119.94 3hlm s MET 402 Ca 0.11 -0.83 -0.15 0.00 -1.03 0.00 0.00 55.69 53.79 3hlm s MET 402 Cb -0.15 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 3hlm s MET 402 CO 0.09 -0.62 1.03 0.95 -2.03 0.00 0.00 175.02 174.44 3hlm s THR 403 N -3.86 4.14 0.57 3.16 -4.23 -1.23 -4.93 115.64 109.25 3hlm s THR 403 Ca 0.08 0.94 0.25 0.00 -1.18 0.00 0.00 61.69 61.78 3hlm s THR 403 Cb -0.02 -3.53 0.34 0.00 1.34 0.00 0.00 72.50 70.63 3hlm s THR 403 CO -0.03 -0.67 2.15 0.11 -0.54 0.00 0.00 174.62 175.64 3hlm h LYS 404 N 0.33 0.00 0.00 3.99 1.79 -1.95 -1.40 116.57 119.32 3hlm h LYS 404 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3hlm h LYS 404 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3hlm h LYS 404 CO 0.59 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.56 3hlm n ASP 405 N -4.07 0.00 -0.01 0.86 5.75 -1.26 -4.17 116.55 113.66 3hlm n ASP 405 Ca -0.00 -0.84 -0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3hlm n ASP 405 Cb 0.22 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.34 0.47 3.69 6.12 0.00 -0.53 -4.81 105.19 110.47 3hlm n GLY 406 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.49 4.35 -0.01 1.61 3.52 -1.25 -1.84 118.95 124.84 3hlm s ARG 407 Ca 0.00 1.65 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 3hlm s ARG 407 Cb 0.00 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3hlm s ARG 407 CO 0.00 -0.44 -0.04 0.96 -0.81 0.00 0.00 175.30 174.97 3hlm s ILE 408 N 2.22 3.85 -0.55 4.11 -4.36 0.16 -3.52 121.20 123.11 3hlm s ILE 408 Ca 0.55 -0.68 -0.27 0.00 -0.26 0.00 0.00 60.65 60.00 3hlm s ILE 408 Cb -0.24 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.82 3hlm s ILE 408 CO 0.21 0.41 1.10 -0.55 0.24 0.00 0.00 174.94 176.35 3hlm s SER 409 N -1.40 6.45 0.41 4.36 0.15 0.18 -1.35 113.70 122.50 3hlm s SER 409 Ca 0.17 0.04 0.23 0.00 0.70 0.00 0.00 55.95 57.09 3hlm s SER 409 Cb -0.11 -2.51 1.25 0.00 -1.71 0.00 0.00 66.02 62.93 3hlm s SER 409 CO 0.08 -1.34 1.67 0.58 1.20 0.00 0.00 173.24 175.42 3hlm h VAL 410 N 6.13 0.00 0.00 4.45 2.07 -0.64 -1.91 116.25 126.35 3hlm h VAL 410 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hlm h VAL 410 Cb 1.06 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hlm h VAL 410 CO 1.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.73 3hlm n ALA 411 N -1.76 2.38 0.30 1.67 0.00 -1.26 -1.80 120.51 120.04 3hlm n ALA 411 Ca -0.02 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.36 3hlm n ALA 411 Cb 0.17 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.09 3hlm n ALA 411 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hlm n GLY 412 N 0.71 -0.69 3.71 0.00 0.00 -0.72 -4.05 105.19 104.15 3hlm n GLY 412 Ca 0.16 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.93 4.70 0.47 1.61 1.01 -0.75 -4.73 120.40 119.78 3hlm s VAL 413 Ca -0.01 1.94 0.03 0.00 0.00 0.00 0.00 61.98 63.94 3hlm s VAL 413 Cb 0.11 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3hlm s VAL 413 CO 0.69 0.12 0.01 0.42 0.00 0.00 0.00 175.10 176.34 3hlm s THR 414 N 1.26 1.36 0.11 3.92 -4.23 -1.26 -4.95 115.64 111.85 3hlm s THR 414 Ca 0.53 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3hlm s THR 414 Cb -0.22 -2.41 -0.07 0.00 1.34 0.00 0.00 72.50 71.14 3hlm s THR 414 CO 0.26 0.00 1.45 0.77 -0.54 0.00 0.00 174.62 176.56 3hlm h SER 415 N 1.50 0.00 -0.42 3.99 4.64 -1.97 -1.61 113.55 119.69 3hlm h SER 415 Ca -0.43 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.97 3hlm h SER 415 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.31 3hlm h SER 415 CO 0.75 0.73 -0.04 1.23 -0.87 0.00 0.00 176.83 178.63 3hlm h GLY 416 N 2.69 0.38 -0.72 -0.77 0.00 -1.96 -3.36 103.07 99.33 3hlm h GLY 416 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3hlm h GLY 416 CO 0.09 -0.13 -0.14 1.16 0.00 0.00 0.00 176.54 177.53 3hlm n ASN 417 N -5.24 1.61 0.27 0.19 0.23 -0.92 -4.37 115.26 107.02 3hlm n ASN 417 Ca 0.03 -1.31 0.15 0.00 -0.53 0.00 0.00 54.58 52.93 3hlm n ASN 417 Cb 0.22 0.27 0.68 0.00 -2.08 0.00 0.00 39.78 38.88 3hlm n ASN 417 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3hlm h VAL 418 N 1.75 0.20 0.88 3.53 3.04 -1.46 -1.31 116.25 122.88 3hlm h VAL 418 Ca 0.00 -0.62 -0.04 0.00 -1.01 0.00 0.00 66.70 65.02 3hlm h VAL 418 Cb 0.44 1.51 0.01 0.00 -2.01 0.00 0.00 31.29 31.24 3hlm h VAL 418 CO 0.00 0.07 -0.45 1.23 -1.01 0.00 0.00 177.57 177.40 3hlm h GLY 419 N 1.75 -1.31 0.39 3.17 0.00 -1.84 -1.90 103.07 103.34 3hlm h GLY 419 Ca -0.00 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.88 3hlm h GLY 419 CO 0.01 -0.46 -0.17 -1.82 0.00 0.00 0.00 176.54 174.09 3hlm h TYR 420 N -1.22 -0.45 -0.88 5.60 3.20 -1.81 -0.18 116.97 121.23 3hlm h TYR 420 Ca -0.12 0.03 0.21 0.00 3.14 0.00 0.00 58.73 61.99 3hlm h TYR 420 Cb 0.95 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 39.32 3hlm h TYR 420 CO -0.02 -0.25 0.38 1.25 -1.64 0.00 0.00 178.16 177.88 3hlm h LEU 421 N -0.21 0.32 -0.04 2.82 5.85 -1.21 0.60 115.31 123.44 3hlm h LEU 421 Ca 0.11 0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.75 3hlm h LEU 421 Cb 0.36 0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.54 3hlm h LEU 421 CO -0.28 0.01 -0.84 0.00 -0.34 0.00 0.00 178.44 176.99 3hlm h ALA 422 N 1.69 0.15 -0.17 1.25 0.00 -0.40 0.25 119.26 122.04 3hlm h ALA 422 Ca 0.54 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hlm h ALA 422 Cb 1.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3hlm h ALA 422 CO -0.51 0.57 -0.26 1.25 0.00 0.00 0.00 179.25 180.29 3hlm h HIS 423 N 0.27 -0.71 0.24 0.00 -0.00 0.09 0.00 115.15 115.04 3hlm h HIS 423 Ca -0.10 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3hlm h HIS 423 Cb 1.51 0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 29.23 3hlm h HIS 423 CO 0.11 -0.34 -0.32 0.00 -0.00 0.00 0.00 177.93 177.38 3hlm h ALA 424 N 0.63 -0.62 -0.66 5.26 0.00 0.32 -1.00 119.26 123.19 3hlm h ALA 424 Ca 0.11 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hlm h ALA 424 Cb 0.48 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3hlm h ALA 424 CO -0.35 -0.89 0.44 0.82 0.00 0.00 0.00 179.25 179.27 3hlm h ILE 425 N -0.61 1.07 0.34 0.00 2.04 -0.35 -2.16 117.51 117.83 3hlm h ILE 425 Ca 0.00 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3hlm h ILE 425 Cb 0.59 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3hlm h ILE 425 CO -0.11 0.14 -0.16 -0.74 0.00 0.00 0.00 178.15 177.28 3hlm h HIS 426 N 0.76 -0.42 -0.62 1.37 2.76 -0.65 -2.85 115.15 115.49 3hlm h HIS 426 Ca 0.27 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.56 3hlm h HIS 426 Cb 0.12 0.14 -0.12 0.00 1.55 0.00 0.00 27.41 29.10 3hlm h HIS 426 CO -0.00 -0.21 -0.13 1.96 -1.30 0.00 0.00 177.93 178.25 3hlm h GLN 427 N -0.53 0.02 0.00 5.26 1.08 -0.54 0.23 115.11 120.63 3hlm h GLN 427 Ca -0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3hlm h GLN 427 Cb 0.40 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3hlm h GLN 427 CO 0.08 0.01 0.00 1.33 -0.95 0.00 0.00 178.83 179.30 3hlm n VAL 428 N -5.40 0.60 -0.01 -0.54 0.24 -1.05 -3.75 118.33 108.41 3hlm n VAL 428 Ca 0.08 0.14 0.02 0.00 -2.04 0.00 0.00 64.34 62.54 3hlm n VAL 428 Cb 0.33 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 31.86 3hlm n VAL 428 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hlm n THR 429 N -1.52 0.06 0.52 3.34 -2.24 -0.25 -4.91 114.28 109.28 3hlm n THR 429 Ca 0.05 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.73 3hlm n THR 429 Cb 0.24 0.15 0.25 0.00 -2.10 0.00 0.00 70.33 68.87 3hlm n THR 429 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79