#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4r s THR 21 N 0.00 0.44 0.09 -0.18 -4.23 -1.26 -2.61 115.64 107.88 1h4r s THR 21 Ca 0.00 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 1h4r s THR 21 Cb 0.00 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1h4r s THR 21 CO 0.00 -0.40 -0.17 0.72 -0.54 0.00 0.00 174.62 174.24 1h4r s PHE 22 N -3.82 1.44 0.08 3.99 -0.71 -0.75 -4.91 117.98 113.30 1h4r s PHE 22 Ca 0.26 -0.45 -0.30 0.00 -1.04 0.00 0.00 56.93 55.40 1h4r s PHE 22 Cb 0.07 -0.80 -0.05 0.00 -1.21 0.00 0.00 43.02 41.03 1h4r s PHE 22 CO 0.05 0.12 1.03 0.99 -1.34 0.00 0.00 175.22 176.07 1h4r s THR 23 N -1.29 4.41 -0.06 -4.49 2.01 -1.26 -1.11 115.64 113.84 1h4r s THR 23 Ca 0.02 1.88 0.05 0.00 0.31 0.00 0.00 61.69 63.95 1h4r s THR 23 Cb -0.10 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1h4r s THR 23 CO 0.03 0.23 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.29 1h4r s VAL 24 N 0.42 2.42 -0.20 3.82 1.01 0.06 -2.53 120.40 125.40 1h4r s VAL 24 Ca 0.51 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1h4r s VAL 24 Cb -0.25 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1h4r s VAL 24 CO 0.30 0.57 0.06 -0.60 0.00 0.00 0.00 175.10 175.44 1h4r s ARG 25 N -0.34 3.86 -0.19 2.72 6.06 0.99 -1.59 118.95 130.45 1h4r s ARG 25 Ca 0.02 -0.39 -0.03 0.00 -2.50 0.00 0.00 55.73 52.83 1h4r s ARG 25 Cb -0.12 -3.24 -0.01 0.00 0.06 0.00 0.00 34.95 31.64 1h4r s ARG 25 CO 0.02 0.12 -0.07 0.42 -2.50 0.00 0.00 175.30 173.29 1h4r s ILE 26 N 0.78 3.24 -0.33 4.11 -1.09 0.34 -1.03 121.20 127.21 1h4r s ILE 26 Ca 0.03 -0.55 -0.08 0.00 -2.23 0.00 0.00 60.65 57.82 1h4r s ILE 26 Cb -0.13 -2.44 0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1h4r s ILE 26 CO 0.02 0.46 0.12 -0.69 -1.23 0.00 0.00 174.94 173.62 1h4r s VAL 27 N 1.16 4.05 0.50 2.92 1.01 -0.06 -1.31 120.40 128.68 1h4r s VAL 27 Ca 0.02 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1h4r s VAL 27 Cb -0.14 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.06 1h4r s VAL 27 CO -0.02 -0.11 0.68 0.42 0.00 0.00 0.00 175.10 176.07 1h4r s THR 28 N 1.47 2.53 0.24 3.92 -4.23 -0.26 -0.06 115.64 119.26 1h4r s THR 28 Ca 0.01 -1.01 0.23 0.00 -1.18 0.00 0.00 61.69 59.74 1h4r s THR 28 Cb -0.19 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.33 1h4r s THR 28 CO 0.04 0.00 1.88 0.24 -0.54 0.00 0.00 174.62 176.24 1h4r h MET 29 N 0.40 0.00 0.03 3.99 2.86 -1.92 -3.22 114.93 117.07 1h4r h MET 29 Ca -0.35 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 1h4r h MET 29 Cb 1.28 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.95 1h4r h MET 29 CO 0.43 0.23 -0.27 -0.44 1.06 0.00 0.00 176.91 177.92 1h4r h ASP 30 N 0.00 0.19 -1.91 1.22 3.32 -1.95 -3.49 116.42 113.79 1h4r h ASP 30 Ca -0.00 -0.89 0.13 0.00 0.02 0.00 0.00 57.03 56.29 1h4r h ASP 30 Cb 0.65 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1h4r h ASP 30 CO 0.03 1.06 0.44 0.00 -1.72 0.00 0.00 179.24 179.05 1h4r n ALA 31 N -2.59 -1.97 -2.54 3.45 0.00 -1.22 -5.17 120.51 110.49 1h4r n ALA 31 Ca -0.11 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.34 1h4r n ALA 31 Cb 0.56 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 1h4r n ALA 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h4r s GLU 32 N -2.03 1.96 0.17 0.00 2.02 -1.26 -1.10 118.70 118.45 1h4r s GLU 32 Ca 0.17 -1.16 -0.10 0.00 0.02 0.00 0.00 54.97 53.90 1h4r s GLU 32 Cb -0.02 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 1h4r s GLU 32 CO 0.03 0.48 0.32 0.00 0.02 0.00 0.00 175.26 176.11 1h4r s MET 33 N -2.34 1.20 0.06 1.61 0.23 -0.43 -5.00 119.30 114.63 1h4r s MET 33 Ca 0.21 -1.15 0.07 0.00 -1.03 0.00 0.00 55.69 53.78 1h4r s MET 33 Cb -0.10 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1h4r s MET 33 CO 0.13 -0.45 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.27 1h4r s GLU 34 N -3.96 1.16 0.12 3.16 2.02 -1.26 -0.50 118.70 119.43 1h4r s GLU 34 Ca 0.17 -0.93 0.04 0.00 0.02 0.00 0.00 54.97 54.27 1h4r s GLU 34 Cb 0.03 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.95 1h4r s GLU 34 CO 0.00 0.31 -0.09 -0.06 0.02 0.00 0.00 175.26 175.44 1h4r s PHE 35 N -0.91 1.11 -0.39 1.61 0.08 -0.62 -4.99 117.98 113.87 1h4r s PHE 35 Ca 0.05 -0.77 -0.20 0.00 0.12 0.00 0.00 56.93 56.13 1h4r s PHE 35 Cb -0.09 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1h4r s PHE 35 CO 0.02 0.00 0.63 -0.80 -0.10 0.00 0.00 175.22 174.97 1h4r s ASN 36 N -2.93 6.37 -0.22 1.36 0.01 -1.26 -0.76 114.94 117.52 1h4r s ASN 36 Ca 0.12 -0.07 -0.13 0.00 -0.71 0.00 0.00 52.86 52.07 1h4r s ASN 36 Cb 0.02 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 1h4r s ASN 36 CO -0.01 -0.67 0.25 0.00 -1.51 0.00 0.00 177.10 175.16 1h4r n GLU 38 N 4.20 1.89 0.01 0.00 1.02 -1.26 -1.81 120.64 124.69 1h4r n GLU 38 Ca -0.13 0.68 0.18 0.00 -0.02 0.00 0.00 57.16 57.88 1h4r n GLU 38 Cb 0.52 -2.50 0.67 0.00 -0.02 0.00 0.00 31.44 30.10 1h4r n GLU 38 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1h4r h MET 39 N 1.85 0.04 -0.31 3.49 4.05 -1.86 -1.63 114.93 120.55 1h4r h MET 39 Ca -0.50 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1h4r h MET 39 Cb 1.29 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1h4r h MET 39 CO 0.59 0.03 0.00 1.63 0.23 0.00 0.00 176.91 179.38 1h4r n LYS 40 N -4.40 2.91 -1.91 0.39 5.02 -1.26 -4.73 118.16 114.18 1h4r n LYS 40 Ca 0.09 -2.37 -0.37 0.00 -2.02 0.00 0.00 58.31 53.63 1h4r n LYS 40 Cb 0.54 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1h4r n LYS 40 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1h4r s TRP 41 N -1.74 2.34 0.62 2.13 0.51 -0.62 -4.85 118.94 117.33 1h4r s TRP 41 Ca 0.31 1.46 -0.01 0.00 -2.12 0.00 0.00 56.10 55.75 1h4r s TRP 41 Cb 0.21 -3.62 0.06 0.00 -0.81 0.00 0.00 33.47 29.31 1h4r s TRP 41 CO 0.13 -2.52 0.87 0.15 -0.51 0.00 0.00 176.95 175.07 1h4r s LYS 42 N -3.14 2.28 0.22 4.98 1.02 -1.26 -1.69 119.74 122.15 1h4r s LYS 42 Ca 0.75 -0.75 -0.10 0.00 0.02 0.00 0.00 55.97 55.89 1h4r s LYS 42 Cb -0.35 -2.39 0.32 0.00 -0.52 0.00 0.00 37.83 34.89 1h4r s LYS 42 CO 0.39 -0.98 1.66 0.78 -0.92 0.00 0.00 175.35 176.28 1h4r h GLY 43 N -0.20 0.68 0.56 -3.33 0.00 -0.87 -2.51 103.07 97.40 1h4r h GLY 43 Ca -0.41 0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.12 1h4r h GLY 43 CO 0.51 -0.22 0.62 1.70 0.00 0.00 0.00 176.54 179.16 1h4r h LYS 44 N 0.11 0.95 -0.30 4.80 3.64 -1.23 0.77 116.57 125.31 1h4r h LYS 44 Ca 0.34 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1h4r h LYS 44 Cb 0.55 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1h4r h LYS 44 CO -0.56 0.63 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.73 1h4r h ASP 45 N 0.98 0.59 -0.15 4.20 3.32 -1.72 0.30 116.42 123.94 1h4r h ASP 45 Ca 0.47 -0.37 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 1h4r h ASP 45 Cb 0.45 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1h4r h ASP 45 CO -0.23 0.83 -0.56 0.25 -1.72 0.00 0.00 179.24 177.81 1h4r h LEU 46 N 0.35 0.75 -0.46 1.55 5.85 -1.29 -2.31 115.31 119.75 1h4r h LEU 46 Ca 0.07 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1h4r h LEU 46 Cb 0.58 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1h4r h LEU 46 CO 0.03 1.23 0.31 0.15 -0.34 0.00 0.00 178.44 179.82 1h4r h PHE 47 N 0.31 0.58 -0.69 1.25 3.57 -0.83 -1.41 116.94 119.73 1h4r h PHE 47 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1h4r h PHE 47 Cb 1.18 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1h4r h PHE 47 CO 0.10 0.37 0.26 -0.44 -2.23 0.00 0.00 178.31 176.37 1h4r h ASP 48 N 0.63 0.95 -0.45 0.41 3.32 -0.92 -1.19 116.42 119.16 1h4r h ASP 48 Ca 0.17 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1h4r h ASP 48 Cb -0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1h4r h ASP 48 CO -0.04 0.86 0.13 0.25 -1.72 0.00 0.00 179.24 178.72 1h4r h LEU 49 N 1.00 0.67 -0.12 1.55 5.85 -1.05 -0.44 115.31 122.77 1h4r h LEU 49 Ca 0.23 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1h4r h LEU 49 Cb 0.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1h4r h LEU 49 CO -0.02 0.70 0.07 0.58 -0.34 0.00 0.00 178.44 179.43 1h4r h VAL 50 N 0.60 1.08 -0.55 1.05 2.07 -0.99 -1.21 116.25 118.29 1h4r h VAL 50 Ca 0.15 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1h4r h VAL 50 Cb 0.28 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1h4r h VAL 50 CO -0.00 0.07 0.35 0.00 0.02 0.00 0.00 177.57 178.01 1h4r h ARG 52 N 0.75 0.79 -0.80 0.00 3.08 -0.97 0.12 114.38 117.34 1h4r h ARG 52 Ca 0.20 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1h4r h ARG 52 Cb -0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 1h4r h ARG 52 CO -0.04 0.56 0.53 1.15 -1.07 0.00 0.00 179.97 181.10 1h4r h THR 53 N 0.80 1.19 0.00 2.04 2.02 -0.83 -1.28 112.91 116.85 1h4r h THR 53 Ca 0.21 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1h4r h THR 53 Cb -0.03 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1h4r h THR 53 CO -0.04 0.19 -0.03 0.18 0.37 0.00 0.00 175.52 176.20 1h4r n LEU 54 N -4.42 0.45 -0.71 2.58 4.77 -0.76 -4.91 117.00 114.00 1h4r n LEU 54 Ca 0.09 0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 56.52 1h4r n LEU 54 Cb 0.05 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1h4r n LEU 54 CO 0.36 -0.09 -0.08 0.61 -1.33 0.00 0.00 177.39 176.85 1h4r n GLY 55 N 1.40 0.39 3.62 -0.72 0.00 -0.41 -4.96 105.19 104.51 1h4r n GLY 55 Ca 0.06 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1h4r n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h4r s LEU 56 N -1.88 4.07 -0.02 0.99 2.96 -0.11 -4.94 118.68 119.76 1h4r s LEU 56 Ca 0.00 0.28 0.13 0.00 -0.22 0.00 0.00 54.13 54.32 1h4r s LEU 56 Cb 0.00 -2.37 -0.19 0.00 0.50 0.00 0.00 46.19 44.12 1h4r s LEU 56 CO 0.00 -0.12 0.33 0.54 -1.32 0.00 0.00 176.35 175.78 1h4r n ARG 57 N 5.01 0.77 -1.75 1.98 1.74 -1.26 -4.53 116.66 118.61 1h4r n ARG 57 Ca -0.10 -0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.48 1h4r n ARG 57 Cb 0.51 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.66 1h4r n ARG 57 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1h4r n GLU 58 N -1.86 4.01 0.21 5.56 1.02 -1.26 -4.70 120.64 123.62 1h4r n GLU 58 Ca -0.02 -2.92 0.13 0.00 -0.02 0.00 0.00 57.16 54.33 1h4r n GLU 58 Cb 0.32 -2.78 0.31 0.00 -0.02 0.00 0.00 31.44 29.27 1h4r n GLU 58 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1h4r h THR 59 N 3.00 0.00 0.00 2.62 1.35 -1.98 -3.34 112.91 114.56 1h4r h THR 59 Ca 0.72 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1h4r h THR 59 Cb 0.36 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1h4r h THR 59 CO 1.65 0.00 0.00 4.11 -0.25 0.00 0.00 175.52 181.03 1h4r h TRP 60 N 0.00 0.00 0.00 4.73 0.09 -1.99 -1.77 115.95 117.00 1h4r h TRP 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1h4r h TRP 60 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.09 1h4r h TRP 60 CO 0.00 0.00 -0.12 0.74 0.09 0.00 0.00 178.44 179.15 1h4r h PHE 61 N 0.00 0.00 -2.11 0.12 0.04 -1.86 -3.45 116.94 109.68 1h4r h PHE 61 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1h4r h PHE 61 Cb 0.21 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 1h4r h PHE 61 CO 0.00 0.00 -0.56 -0.06 -0.60 0.00 0.00 178.31 177.09 1h4r s PHE 62 N -3.16 2.87 0.37 -0.55 0.08 -0.67 0.28 117.98 117.20 1h4r s PHE 62 Ca 0.08 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.82 1h4r s PHE 62 Cb 0.10 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1h4r s PHE 62 CO 0.65 0.49 0.65 0.20 -0.10 0.00 0.00 175.22 177.11 1h4r s GLY 63 N -3.80 0.86 -0.24 4.36 0.00 -0.46 -4.75 107.32 103.29 1h4r s GLY 63 Ca 0.34 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1h4r s GLY 63 CO 0.23 -0.61 -0.07 1.08 0.00 0.00 0.00 173.10 173.72 1h4r s LEU 64 N -3.14 3.07 -0.01 0.66 1.43 -1.26 -2.35 118.68 117.07 1h4r s LEU 64 Ca 0.22 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1h4r s LEU 64 Cb -0.03 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1h4r s LEU 64 CO 0.15 -0.11 0.15 -1.58 0.23 0.00 0.00 176.35 175.19 1h4r s GLN 65 N 1.33 3.32 0.32 1.70 0.74 0.17 -0.45 119.66 126.79 1h4r s GLN 65 Ca 0.01 -0.36 0.07 0.00 0.05 0.00 0.00 55.36 55.13 1h4r s GLN 65 Cb -0.16 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 1h4r s GLN 65 CO -0.05 0.67 0.25 2.48 -0.55 0.00 0.00 175.29 178.09 1h4r n TYR 66 N 1.08 -0.63 -4.67 1.67 4.11 0.21 -0.78 117.16 118.15 1h4r n TYR 66 Ca -0.12 -2.60 -0.26 0.00 -0.00 0.00 0.00 57.90 54.92 1h4r n TYR 66 Cb 0.53 0.24 -0.17 0.00 -0.00 0.00 0.00 39.34 39.94 1h4r n TYR 66 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1h4r s THR 67 N -3.23 1.31 -0.34 -3.48 2.01 -1.26 -1.03 115.64 109.62 1h4r s THR 67 Ca 0.35 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 1h4r s THR 67 Cb 0.02 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1h4r s THR 67 CO 0.25 0.39 0.11 -0.63 -0.69 0.00 0.00 174.62 174.05 1h4r s ILE 68 N 0.65 3.88 0.00 1.82 1.01 0.43 -4.93 121.20 124.06 1h4r s ILE 68 Ca -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1h4r s ILE 68 Cb -0.16 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1h4r s ILE 68 CO 0.04 -0.15 0.00 0.29 0.00 0.00 0.00 174.94 175.13 1h4r n LYS 69 N 4.84 0.00 -0.36 2.79 5.02 -1.26 -0.78 118.16 128.41 1h4r n LYS 69 Ca -0.13 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1h4r n LYS 69 Cb 0.45 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.68 1h4r n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1h4r n ASP 70 N 5.93 3.00 -4.33 4.39 5.75 -1.26 -4.97 116.55 125.06 1h4r n ASP 70 Ca 0.00 -2.25 -0.28 0.00 -0.01 0.00 0.00 54.79 52.26 1h4r n ASP 70 Cb 0.00 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 39.52 1h4r n ASP 70 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1h4r s THR 71 N -1.70 1.98 0.40 2.12 2.01 0.04 -5.12 115.64 115.38 1h4r s THR 71 Ca 0.30 -1.49 -0.24 0.00 0.31 0.00 0.00 61.69 60.57 1h4r s THR 71 Cb 0.19 -1.74 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 1h4r s THR 71 CO 0.15 0.16 1.07 -0.69 -0.69 0.00 0.00 174.62 174.63 1h4r s VAL 72 N -0.95 3.59 -0.00 3.82 1.01 -1.26 -0.43 120.40 126.18 1h4r s VAL 72 Ca 0.10 1.25 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 1h4r s VAL 72 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1h4r s VAL 72 CO 0.04 0.03 0.14 0.00 0.00 0.00 0.00 175.10 175.30 1h4r s ALA 73 N -1.60 -0.32 -0.03 5.51 0.00 -0.20 -4.81 121.76 120.31 1h4r s ALA 73 Ca 0.58 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1h4r s ALA 73 Cb -0.24 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1h4r s ALA 73 CO 0.30 -0.19 -0.14 -1.58 0.00 0.00 0.00 175.76 174.15 1h4r s TRP 74 N -1.20 2.71 0.28 0.00 0.52 -1.26 -0.62 118.94 119.37 1h4r s TRP 74 Ca -0.13 -0.15 -0.30 0.00 0.02 0.00 0.00 56.10 55.54 1h4r s TRP 74 Cb -0.07 -1.61 -0.12 0.00 -1.15 0.00 0.00 33.47 30.53 1h4r s TRP 74 CO 0.01 0.23 1.63 1.28 0.02 0.00 0.00 176.95 180.12 1h4r n LEU 75 N 2.11 4.33 -4.79 2.99 4.77 0.40 -4.97 117.00 121.83 1h4r n LEU 75 Ca -0.17 1.13 -0.38 0.00 -0.03 0.00 0.00 56.01 56.56 1h4r n LEU 75 Cb 0.52 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.96 1h4r n LEU 75 CO 0.26 0.18 0.20 -0.54 -1.33 0.00 0.00 177.39 176.16 1h4r s LYS 76 N -0.18 4.17 0.25 3.23 3.01 -1.26 -4.76 119.74 124.19 1h4r s LYS 76 Ca 0.66 0.57 -0.03 0.00 -1.01 0.00 0.00 55.97 56.16 1h4r s LYS 76 Cb -0.49 -3.30 0.29 0.00 -1.01 0.00 0.00 37.83 33.31 1h4r s LYS 76 CO 0.45 0.48 1.72 0.52 0.51 0.00 0.00 175.35 179.04 1h4r h MET 77 N 5.33 0.80 -0.54 1.68 2.86 -1.94 -3.11 114.93 120.02 1h4r h MET 77 Ca -0.47 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 1h4r h MET 77 Cb 1.20 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1h4r h MET 77 CO 0.67 0.84 0.00 -0.25 1.06 0.00 0.00 176.91 179.23 1h4r n ASP 78 N -4.19 2.91 -4.38 1.22 9.92 -1.26 -0.91 116.55 119.86 1h4r n ASP 78 Ca 0.02 -2.08 -0.31 0.00 -0.53 0.00 0.00 54.79 51.89 1h4r n ASP 78 Cb 0.33 -0.38 -0.14 0.00 -0.64 0.00 0.00 41.12 40.30 1h4r n ASP 78 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1h4r s LYS 79 N -1.43 2.06 0.26 -1.24 2.20 -1.18 -4.93 119.74 115.48 1h4r s LYS 79 Ca 0.34 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 1h4r s LYS 79 Cb 0.19 -2.11 -0.12 0.00 -1.51 0.00 0.00 37.83 34.28 1h4r s LYS 79 CO 0.22 0.55 1.60 1.63 -0.36 0.00 0.00 175.35 178.98 1h4r n LYS 80 N 1.98 2.60 -0.27 4.03 5.02 -1.26 -0.87 118.16 129.39 1h4r n LYS 80 Ca -0.16 0.93 0.06 0.00 -2.02 0.00 0.00 58.31 57.12 1h4r n LYS 80 Cb 0.52 -2.71 0.18 0.00 -0.02 0.00 0.00 35.03 33.00 1h4r n LYS 80 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h4r h VAL 81 N 3.42 0.33 0.00 -0.18 2.07 -1.58 -1.29 116.25 119.02 1h4r h VAL 81 Ca -0.46 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1h4r h VAL 81 Cb 1.23 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1h4r h VAL 81 CO 0.83 0.02 0.00 0.18 0.02 0.00 0.00 177.57 178.62 1h4r n LEU 82 N -5.33 0.33 -0.02 2.57 4.77 -1.26 -2.22 117.00 115.84 1h4r n LEU 82 Ca 0.15 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 1h4r n LEU 82 Cb 0.51 -0.47 0.56 0.00 -2.33 0.00 0.00 43.42 41.69 1h4r n LEU 82 CO 0.05 -0.21 0.85 0.47 -1.33 0.00 0.00 177.39 177.22 1h4r n ASP 83 N -1.83 0.18 -4.81 -1.43 8.00 -0.49 -4.82 116.55 111.34 1h4r n ASP 83 Ca 0.05 0.09 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 1h4r n ASP 83 Cb 0.30 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1h4r n ASP 83 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1h4r s HIS 84 N -2.86 3.15 -0.95 1.24 3.76 -0.94 -4.91 115.29 113.78 1h4r s HIS 84 Ca 0.18 1.52 -0.07 0.00 -0.15 0.00 0.00 55.06 56.53 1h4r s HIS 84 Cb 0.19 -2.95 -0.13 0.00 1.11 0.00 0.00 32.58 30.81 1h4r s HIS 84 CO 0.55 -0.77 2.85 -3.47 -0.85 0.00 0.00 174.74 173.05 1h4r n ASP 85 N -1.59 6.58 -4.63 1.40 2.03 -1.26 -4.86 116.55 114.21 1h4r n ASP 85 Ca 0.08 -2.44 -0.31 0.00 0.52 0.00 0.00 54.79 52.63 1h4r n ASP 85 Cb 0.53 -1.35 -0.10 0.00 -0.72 0.00 0.00 41.12 39.49 1h4r n ASP 85 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h4r s VAL 86 N 2.16 3.77 0.29 5.18 0.11 -1.26 -4.85 120.40 125.79 1h4r s VAL 86 Ca 0.59 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 1h4r s VAL 86 Cb 0.19 -2.70 -0.12 0.00 -1.53 0.00 0.00 36.38 32.23 1h4r s VAL 86 CO -0.04 0.30 1.48 -0.24 -3.33 0.00 0.00 175.10 173.27 1h4r n SER 87 N 1.22 3.31 -0.76 3.54 2.88 -1.26 -4.89 113.62 117.65 1h4r n SER 87 Ca -0.14 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.69 1h4r n SER 87 Cb 0.52 -1.52 0.29 0.00 -0.75 0.00 0.00 64.21 62.75 1h4r n SER 87 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1h4r n LYS 88 N 1.72 2.05 -1.76 -1.46 4.01 -1.26 -4.70 118.16 116.76 1h4r n LYS 88 Ca 0.08 -1.53 -0.43 0.00 -0.51 0.00 0.00 58.31 55.92 1h4r n LYS 88 Cb 0.35 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.37 1h4r n LYS 88 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1h4r s GLU 89 N -1.94 3.23 0.30 1.97 2.56 -1.26 -4.77 118.70 118.80 1h4r s GLU 89 Ca 0.33 1.82 -0.29 0.00 0.00 0.00 0.00 54.97 56.83 1h4r s GLU 89 Cb 0.20 -4.30 -0.11 0.00 2.00 0.00 0.00 34.13 31.93 1h4r s GLU 89 CO 0.31 -1.98 1.46 -1.21 -0.56 0.00 0.00 175.26 173.29 1h4r s GLU 90 N 6.04 4.21 0.13 4.30 2.02 -1.26 -3.38 118.70 130.76 1h4r s GLU 90 Ca 0.92 2.41 -0.28 0.00 0.02 0.00 0.00 54.97 58.05 1h4r s GLU 90 Cb -0.29 -3.05 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 1h4r s GLU 90 CO 0.35 -0.45 0.87 -1.25 0.02 0.00 0.00 175.26 174.79 1h4r s PRO 91 N -1.02 4.65 0.07 0.39 0.04 -1.26 -5.11 135.00 132.76 1h4r s PRO 91 Ca 0.57 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 1h4r s PRO 91 Cb -0.44 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.69 1h4r s PRO 91 CO 0.50 0.35 1.56 0.08 0.04 0.00 0.00 177.00 179.54 1h4r s VAL 92 N -0.42 3.16 -0.07 -0.36 1.01 -1.05 -4.68 120.40 117.99 1h4r s VAL 92 Ca 0.42 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.09 1h4r s VAL 92 Cb -0.23 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1h4r s VAL 92 CO 0.28 0.01 -0.18 -0.89 0.00 0.00 0.00 175.10 174.32 1h4r s THR 93 N 2.29 2.70 0.06 3.92 2.01 -1.26 -0.01 115.64 125.35 1h4r s THR 93 Ca 0.70 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1h4r s THR 93 Cb -0.38 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1h4r s THR 93 CO 0.31 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.30 1h4r s PHE 94 N -0.26 1.22 -0.24 4.92 0.08 -0.20 -4.82 117.98 118.68 1h4r s PHE 94 Ca 0.01 -0.43 -0.09 0.00 0.12 0.00 0.00 56.93 56.54 1h4r s PHE 94 Cb -0.13 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1h4r s PHE 94 CO 0.03 0.05 0.11 -1.01 -0.10 0.00 0.00 175.22 174.30 1h4r s HIS 95 N -1.16 3.18 -0.27 0.36 3.76 0.04 -0.88 115.29 120.33 1h4r s HIS 95 Ca -0.01 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.56 1h4r s HIS 95 Cb -0.09 -2.25 -0.00 0.00 1.11 0.00 0.00 32.58 31.35 1h4r s HIS 95 CO 0.02 -0.15 0.85 0.12 -0.85 0.00 0.00 174.74 174.74 1h4r s PHE 96 N 1.33 3.26 0.06 1.40 5.36 0.92 -0.65 117.98 129.66 1h4r s PHE 96 Ca 0.06 1.06 -0.11 0.00 -0.96 0.00 0.00 56.93 56.97 1h4r s PHE 96 Cb -0.15 -3.18 0.01 0.00 -0.34 0.00 0.00 43.02 39.36 1h4r s PHE 96 CO 0.05 -0.50 0.25 -0.51 -1.46 0.00 0.00 175.22 173.06 1h4r s LEU 97 N 2.98 1.12 0.05 6.12 1.43 -0.99 -4.35 118.68 125.05 1h4r s LEU 97 Ca 0.36 -0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1h4r s LEU 97 Cb -0.15 1.20 -0.06 0.00 0.03 0.00 0.00 46.19 47.22 1h4r s LEU 97 CO 0.10 -0.65 1.25 0.00 0.23 0.00 0.00 176.35 177.28 1h4r s ALA 98 N -3.00 3.45 -0.12 4.21 0.00 -1.26 -1.36 121.76 123.68 1h4r s ALA 98 Ca -0.02 0.87 0.19 0.00 0.00 0.00 0.00 51.96 53.01 1h4r s ALA 98 Cb 0.01 -3.48 -0.26 0.00 0.00 0.00 0.00 23.12 19.39 1h4r s ALA 98 CO -0.06 -0.54 0.39 1.17 0.00 0.00 0.00 175.76 176.72 1h4r n LYS 99 N 4.19 0.66 -4.22 0.00 4.81 0.14 -4.90 118.16 118.84 1h4r n LYS 99 Ca 0.10 -0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.31 1h4r n LYS 99 Cb 0.45 -1.58 -0.12 0.00 0.02 0.00 0.00 35.03 33.80 1h4r n LYS 99 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1h4r s PHE 100 N -2.98 1.33 0.05 5.64 0.08 -0.66 -5.05 117.98 116.39 1h4r s PHE 100 Ca -0.08 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.61 1h4r s PHE 100 Cb 0.10 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 1h4r s PHE 100 CO 0.86 0.08 -0.19 0.71 -0.10 0.00 0.00 175.22 176.58 1h4r s TYR 101 N -1.20 2.54 0.76 0.36 1.51 -1.26 -4.77 117.35 115.29 1h4r s TYR 101 Ca 0.00 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1h4r s TYR 101 Cb -0.10 -1.45 0.05 0.00 -0.11 0.00 0.00 41.96 40.35 1h4r s TYR 101 CO 0.03 0.25 1.09 -1.25 -1.11 0.00 0.00 175.55 174.56 1h4r s PRO 102 N -1.46 2.36 0.20 -1.71 0.04 -1.26 -4.75 135.00 128.43 1h4r s PRO 102 Ca 0.15 1.16 0.10 0.00 0.04 0.00 0.00 61.00 62.45 1h4r s PRO 102 Cb -0.10 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1h4r s PRO 102 CO 0.05 -1.56 1.43 0.93 0.04 0.00 0.00 177.00 177.89 1h4r h GLU 103 N -1.00 0.00 -2.58 4.56 5.08 -2.00 -3.42 114.58 115.22 1h4r h GLU 103 Ca -0.44 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.45 1h4r h GLU 103 Cb 1.23 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.10 1h4r h GLU 103 CO 0.52 0.78 -0.74 1.21 -1.00 0.00 0.00 179.01 179.78 1h4r s ASN 104 N -6.69 2.95 0.16 1.42 3.84 -1.26 -5.05 114.94 110.31 1h4r s ASN 104 Ca 0.01 -1.21 -0.14 0.00 0.21 0.00 0.00 52.86 51.73 1h4r s ASN 104 Cb 0.10 -0.10 0.05 0.00 -0.55 0.00 0.00 41.25 40.75 1h4r s ASN 104 CO 0.78 -0.41 1.79 0.00 -2.79 0.00 0.00 177.10 176.47 1h4r h ALA 105 N 8.26 0.64 -0.44 1.71 0.00 -1.95 -0.82 119.26 126.65 1h4r h ALA 105 Ca -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1h4r h ALA 105 Cb 1.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1h4r h ALA 105 CO 0.40 0.14 0.16 1.49 0.00 0.00 0.00 179.25 181.43 1h4r h GLU 106 N 0.67 0.64 0.19 0.00 4.81 -1.94 -1.20 114.58 117.75 1h4r h GLU 106 Ca 0.18 -0.09 -0.31 0.00 -0.13 0.00 0.00 59.36 59.00 1h4r h GLU 106 Cb 0.01 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 29.31 1h4r h GLU 106 CO -0.03 0.54 -1.34 0.93 -0.73 0.00 0.00 179.01 178.38 1h4r h GLU 107 N 0.63 0.58 0.00 1.92 5.08 -1.93 -3.40 114.58 117.46 1h4r h GLU 107 Ca 0.15 -0.87 -0.15 0.00 -1.00 0.00 0.00 59.36 57.49 1h4r h GLU 107 Cb 0.16 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1h4r h GLU 107 CO -0.01 1.41 -1.49 0.39 -1.00 0.00 0.00 179.01 178.30 1h4r n GLU 108 N -3.78 0.63 -3.23 2.33 1.02 -0.34 -4.66 120.64 112.61 1h4r n GLU 108 Ca -0.15 0.16 -0.46 0.00 -0.02 0.00 0.00 57.16 56.68 1h4r n GLU 108 Cb 1.04 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1h4r n GLU 108 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h4r s LEU 109 N -5.60 6.30 -0.06 -4.62 1.43 -0.47 -4.86 118.68 110.81 1h4r s LEU 109 Ca -0.04 -2.64 -0.10 0.00 -1.03 0.00 0.00 54.13 50.32 1h4r s LEU 109 Cb 0.09 -2.26 -0.30 0.00 0.03 0.00 0.00 46.19 43.75 1h4r s LEU 109 CO 0.82 -0.66 0.62 0.58 0.23 0.00 0.00 176.35 177.94 1h4r h VAL 110 N 4.91 0.89 -3.94 -1.59 2.07 -1.86 -3.43 116.25 113.30 1h4r h VAL 110 Ca 0.13 -2.49 -0.47 0.00 0.82 0.00 0.00 66.70 64.69 1h4r h VAL 110 Cb 1.02 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1h4r h VAL 110 CO 0.87 0.86 0.37 -1.10 0.02 0.00 0.00 177.57 178.59 1h4r s GLN 111 N -2.58 4.39 0.19 1.57 -0.21 -1.26 -4.97 119.66 116.79 1h4r s GLN 111 Ca -0.17 1.37 -0.12 0.00 0.02 0.00 0.00 55.36 56.46 1h4r s GLN 111 Cb 0.06 -2.63 0.14 0.00 1.00 0.00 0.00 33.01 31.58 1h4r s GLN 111 CO 0.84 0.09 1.83 1.49 -2.12 0.00 0.00 175.29 177.42 1h4r h GLU 112 N 2.77 0.73 -0.76 2.91 4.81 -1.99 -2.26 114.58 120.80 1h4r h GLU 112 Ca -0.48 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1h4r h GLU 112 Cb 1.20 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1h4r h GLU 112 CO 0.63 0.48 0.46 0.97 -0.73 0.00 0.00 179.01 180.83 1h4r h ILE 113 N 0.75 1.06 -0.36 2.32 6.09 -1.93 0.17 117.51 125.61 1h4r h ILE 113 Ca 0.24 -0.30 -0.04 0.00 -1.37 0.00 0.00 64.86 63.39 1h4r h ILE 113 Cb 0.01 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.38 1h4r h ILE 113 CO -0.09 0.16 0.07 0.74 -3.07 0.00 0.00 178.15 175.95 1h4r h THR 114 N 0.88 1.23 -0.53 2.19 2.02 -1.89 -0.79 112.91 116.02 1h4r h THR 114 Ca 0.32 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1h4r h THR 114 Cb 0.09 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1h4r h THR 114 CO -0.14 0.28 0.32 1.56 0.37 0.00 0.00 175.52 177.91 1h4r h GLN 115 N 0.44 0.72 -0.41 6.66 4.20 -1.05 -1.75 115.11 123.93 1h4r h GLN 115 Ca 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1h4r h GLN 115 Cb 0.34 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1h4r h GLN 115 CO 0.01 0.52 0.19 1.25 -0.67 0.00 0.00 178.83 180.13 1h4r h HIS 116 N 0.72 0.59 -0.45 2.96 2.76 -0.69 0.91 115.15 121.95 1h4r h HIS 116 Ca 0.19 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 1h4r h HIS 116 Cb -0.02 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 1h4r h HIS 116 CO -0.03 0.50 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.87 1h4r h LEU 117 N 0.52 0.86 -0.13 0.26 3.38 -0.96 -1.51 115.31 117.73 1h4r h LEU 117 Ca 0.14 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1h4r h LEU 117 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1h4r h LEU 117 CO -0.02 1.02 0.06 -0.26 0.09 0.00 0.00 178.44 179.33 1h4r h PHE 118 N 0.76 0.19 -0.47 1.13 0.04 -1.17 -2.04 116.94 115.39 1h4r h PHE 118 Ca 0.12 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.96 1h4r h PHE 118 Cb 0.68 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.70 1h4r h PHE 118 CO 0.04 0.24 0.06 0.35 -0.60 0.00 0.00 178.31 178.40 1h4r h PHE 119 N 0.09 0.09 -0.43 -0.55 3.57 -0.57 -0.43 116.94 118.72 1h4r h PHE 119 Ca 0.05 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1h4r h PHE 119 Cb 0.12 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1h4r h PHE 119 CO -0.03 -0.04 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.72 1h4r h LEU 120 N 0.19 0.88 -0.26 0.59 3.38 -1.21 -1.34 115.31 117.54 1h4r h LEU 120 Ca 0.23 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1h4r h LEU 120 Cb 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1h4r h LEU 120 CO -0.33 1.07 -0.39 -0.61 0.09 0.00 0.00 178.44 178.26 1h4r h GLN 121 N 0.75 0.73 -0.33 1.13 4.15 -0.96 -2.06 115.11 118.52 1h4r h GLN 121 Ca 0.10 -0.43 -0.16 0.00 0.77 0.00 0.00 58.65 58.93 1h4r h GLN 121 Cb 0.76 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1h4r h GLN 121 CO 0.06 1.06 -0.42 0.28 -1.93 0.00 0.00 178.83 177.87 1h4r h VAL 122 N 0.46 1.28 -0.57 2.39 2.07 -1.07 -2.19 116.25 118.62 1h4r h VAL 122 Ca 0.02 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 65.99 1h4r h VAL 122 Cb 0.99 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1h4r h VAL 122 CO 0.09 0.53 0.29 0.50 0.02 0.00 0.00 177.57 179.00 1h4r h LYS 123 N 0.66 0.53 -0.62 1.57 3.64 -1.24 -0.01 116.57 121.10 1h4r h LYS 123 Ca 0.04 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1h4r h LYS 123 Cb 1.02 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1h4r h LYS 123 CO 0.10 0.35 0.14 -0.22 -2.27 0.00 0.00 179.45 177.55 1h4r h LYS 124 N 0.55 0.98 -0.79 1.90 1.63 -1.25 0.22 116.57 119.80 1h4r h LYS 124 Ca 0.25 -0.22 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1h4r h LYS 124 Cb 0.17 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 1h4r h LYS 124 CO -0.18 0.88 0.52 1.96 -3.45 0.00 0.00 179.45 179.18 1h4r h GLN 125 N 0.93 0.97 -0.10 1.90 4.20 -0.63 0.23 115.11 122.62 1h4r h GLN 125 Ca 0.20 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1h4r h GLN 125 Cb 0.35 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1h4r h GLN 125 CO 0.00 0.64 -0.13 0.82 -0.67 0.00 0.00 178.83 179.50 1h4r h ILE 126 N 1.00 1.37 -0.30 2.54 1.08 -0.47 0.12 117.51 122.85 1h4r h ILE 126 Ca 0.31 -1.33 -0.10 0.00 -0.39 0.00 0.00 64.86 63.35 1h4r h ILE 126 Cb 0.00 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1h4r h ILE 126 CO -0.08 0.38 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.47 1h4r h LEU 127 N -0.17 0.57 -0.26 1.44 3.38 -0.69 -2.07 115.31 117.51 1h4r h LEU 127 Ca 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1h4r h LEU 127 Cb 0.67 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1h4r h LEU 127 CO 0.03 0.78 0.00 0.47 0.09 0.00 0.00 178.44 179.81 1h4r n ASP 128 N -4.14 0.39 -0.90 -0.43 8.00 0.80 -4.42 116.55 115.85 1h4r n ASP 128 Ca 0.00 -1.39 -0.12 0.00 0.71 0.00 0.00 54.79 53.99 1h4r n ASP 128 Cb 0.39 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 1h4r n ASP 128 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h4r n GLU 129 N -0.57 -0.84 0.14 -1.24 1.02 -0.78 -4.89 120.64 113.47 1h4r n GLU 129 Ca 0.17 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1h4r n GLU 129 Cb 0.14 -4.92 0.14 0.00 -0.02 0.00 0.00 31.44 26.78 1h4r n GLU 129 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h4r h LYS 130 N 0.01 0.00 -4.98 3.49 1.79 -1.00 -3.40 116.57 112.49 1h4r h LYS 130 Ca -0.24 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.57 1h4r h LYS 130 Cb 0.78 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.14 1h4r h LYS 130 CO 0.35 0.60 -0.74 0.42 -1.08 0.00 0.00 179.45 179.01 1h4r s ILE 131 N -3.31 3.17 0.27 1.86 1.01 -1.02 -4.99 121.20 118.19 1h4r s ILE 131 Ca 0.01 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 1h4r s ILE 131 Cb 0.11 -2.47 -0.12 0.00 0.01 0.00 0.00 42.46 39.98 1h4r s ILE 131 CO 0.75 0.38 1.53 0.00 0.00 0.00 0.00 174.94 177.60 1h4r n TYR 132 N 4.76 2.60 -3.71 3.97 9.36 -1.26 -4.61 117.16 128.28 1h4r n TYR 132 Ca -0.18 0.31 -0.16 0.00 3.32 0.00 0.00 57.90 61.19 1h4r n TYR 132 Cb 0.50 -2.55 -0.16 0.00 -0.63 0.00 0.00 39.34 36.50 1h4r n TYR 132 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1h4r s PRO 134 N 1.77 1.53 0.15 0.00 0.04 -1.26 -4.80 135.00 132.44 1h4r s PRO 134 Ca -0.02 0.86 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 1h4r s PRO 134 Cb -0.12 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.62 1h4r s PRO 134 CO -0.05 -2.07 1.72 -1.35 0.04 0.00 0.00 177.00 175.29 1h4r h PRO 135 N -1.42 0.73 -0.38 0.56 0.11 -1.98 -0.84 132.00 128.77 1h4r h PRO 135 Ca -0.48 -0.12 -0.16 0.00 0.11 0.00 0.00 66.00 65.35 1h4r h PRO 135 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1h4r h PRO 135 CO 0.55 0.63 -0.38 0.93 -0.21 0.00 0.00 178.00 179.52 1h4r h GLU 136 N 0.66 0.91 -0.84 1.05 4.39 -2.00 -1.55 114.58 117.20 1h4r h GLU 136 Ca 0.17 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.41 1h4r h GLU 136 Cb 0.16 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1h4r h GLU 136 CO -0.02 1.13 0.55 0.00 -1.16 0.00 0.00 179.01 179.51 1h4r h ALA 137 N 0.81 1.08 -0.91 3.43 0.00 -1.92 -1.90 119.26 119.86 1h4r h ALA 137 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1h4r h ALA 137 Cb 0.97 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1h4r h ALA 137 CO 0.09 0.45 0.59 0.77 0.00 0.00 0.00 179.25 181.15 1h4r h SER 138 N 1.12 0.98 -0.22 0.00 0.02 -0.38 0.70 113.55 115.77 1h4r h SER 138 Ca 0.31 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1h4r h SER 138 Cb -0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1h4r h SER 138 CO -0.08 0.67 -0.04 0.58 -1.14 0.00 0.00 176.83 176.82 1h4r h VAL 139 N 1.14 1.28 -0.40 2.27 2.07 -0.92 -0.43 116.25 121.26 1h4r h VAL 139 Ca 0.36 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1h4r h VAL 139 Cb 0.01 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1h4r h VAL 139 CO -0.12 0.31 0.26 0.25 0.02 0.00 0.00 177.57 178.30 1h4r h LEU 140 N 0.15 0.45 -0.24 2.57 5.85 -1.02 -1.05 115.31 122.02 1h4r h LEU 140 Ca 0.06 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1h4r h LEU 140 Cb 0.49 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1h4r h LEU 140 CO 0.02 0.33 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.35 1h4r h LEU 141 N 0.54 -0.16 -1.26 2.25 3.38 -0.80 -1.87 115.31 117.39 1h4r h LEU 141 Ca 0.15 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1h4r h LEU 141 Cb -0.05 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1h4r h LEU 141 CO -0.04 -0.05 0.56 0.00 0.09 0.00 0.00 178.44 179.01 1h4r h ALA 142 N 1.22 1.73 -0.15 1.53 0.00 -0.58 -1.12 119.26 121.90 1h4r h ALA 142 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1h4r h ALA 142 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1h4r h ALA 142 CO -0.22 0.07 -0.18 0.66 0.00 0.00 0.00 179.25 179.58 1h4r h SER 143 N 0.78 0.23 0.32 0.00 4.64 -0.37 0.83 113.55 119.99 1h4r h SER 143 Ca 0.42 -0.06 -0.26 0.00 -0.47 0.00 0.00 61.79 61.42 1h4r h SER 143 Cb 0.53 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1h4r h SER 143 CO -0.18 0.43 -1.10 1.88 -0.87 0.00 0.00 176.83 176.98 1h4r h TYR 144 N 0.23 0.72 -0.60 4.77 0.05 -0.97 -1.95 116.97 119.22 1h4r h TYR 144 Ca 0.04 -0.44 -0.01 0.00 0.05 0.00 0.00 58.73 58.37 1h4r h TYR 144 Cb 0.45 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1h4r h TYR 144 CO 0.01 1.29 0.32 0.00 -1.05 0.00 0.00 178.16 178.72 1h4r h ALA 145 N 0.56 1.43 -0.16 3.88 0.00 -0.45 -0.25 119.26 124.27 1h4r h ALA 145 Ca -0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1h4r h ALA 145 Cb 1.77 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1h4r h ALA 145 CO 0.20 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 1h4r h VAL 146 N 0.84 1.33 -0.87 0.00 2.07 -0.81 -1.61 116.25 117.19 1h4r h VAL 146 Ca 0.21 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.59 1h4r h VAL 146 Cb 0.04 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 1h4r h VAL 146 CO -0.03 0.36 0.53 -0.61 0.02 0.00 0.00 177.57 177.84 1h4r h GLN 147 N 0.02 0.88 -0.30 1.57 5.75 -1.03 0.17 115.11 122.17 1h4r h GLN 147 Ca 0.03 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 1h4r h GLN 147 Cb 0.63 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1h4r h GLN 147 CO 0.03 0.58 -0.17 0.00 -2.65 0.00 0.00 178.83 176.63 1h4r h ALA 148 N 1.45 1.15 0.16 3.38 0.00 -0.90 -1.52 119.26 122.98 1h4r h ALA 148 Ca 0.40 -0.31 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 1h4r h ALA 148 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h4r h ALA 148 CO -0.22 0.54 -1.80 -0.22 0.00 0.00 0.00 179.25 177.55 1h4r h LYS 149 N 0.49 0.35 0.00 0.00 3.64 -0.28 -3.41 116.57 117.36 1h4r h LYS 149 Ca 0.08 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1h4r h LYS 149 Cb 0.57 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1h4r h LYS 149 CO 0.04 1.26 -0.95 0.66 -2.27 0.00 0.00 179.45 178.19 1h4r n TYR 150 N -3.54 0.00 -4.07 1.91 4.02 0.51 -5.10 117.16 110.88 1h4r n TYR 150 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1h4r n TYR 150 Cb 1.07 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 1h4r n TYR 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h4r n GLY 151 N 1.42 -1.12 3.77 2.72 0.00 -0.57 -4.88 105.19 106.54 1h4r n GLY 151 Ca 0.02 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1h4r n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h4r s ASP 152 N -4.00 6.19 0.18 1.61 1.01 -1.26 -4.55 116.67 115.84 1h4r s ASP 152 Ca 0.00 3.01 -0.32 0.00 0.71 0.00 0.00 52.55 55.95 1h4r s ASP 152 Cb 0.00 -2.66 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 1h4r s ASP 152 CO 0.00 -0.98 1.72 0.00 0.21 0.00 0.00 175.17 176.12 1h4r n TYR 153 N 0.24 2.62 -3.63 4.23 9.36 -1.26 -4.98 117.16 123.73 1h4r n TYR 153 Ca 0.02 0.06 -0.29 0.00 3.32 0.00 0.00 57.90 61.01 1h4r n TYR 153 Cb 0.40 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.30 1h4r n TYR 153 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1h4r s ASP 154 N 1.45 3.52 0.49 2.98 -1.08 -1.26 -5.02 116.67 117.75 1h4r s ASP 154 Ca 0.78 -1.29 0.33 0.00 -0.52 0.00 0.00 52.55 51.84 1h4r s ASP 154 Cb -0.54 -0.54 1.77 0.00 -1.46 0.00 0.00 42.92 42.15 1h4r s ASP 154 CO 0.35 -0.41 2.01 -0.65 0.52 0.00 0.00 175.17 176.99 1h4r h PRO 155 N 8.29 0.00 0.00 4.34 0.11 -1.94 0.75 132.00 143.55 1h4r h PRO 155 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1h4r h PRO 155 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1h4r h PRO 155 CO 0.43 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 178.84 1h4r h SER 156 N 0.00 0.00 0.00 -2.05 4.64 -2.02 -3.35 113.55 110.77 1h4r h SER 156 Ca 0.00 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1h4r h SER 156 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1h4r h SER 156 CO 0.00 0.00 -1.40 0.52 -0.87 0.00 0.00 176.83 175.09 1h4r n VAL 157 N -2.79 0.40 -3.10 0.95 0.31 -0.38 -4.85 118.33 108.87 1h4r n VAL 157 Ca 0.04 -0.15 -0.45 0.00 -0.01 0.00 0.00 64.34 63.78 1h4r n VAL 157 Cb 0.50 -0.81 -0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1h4r n VAL 157 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1h4r s HIS 158 N -2.14 3.73 0.50 3.52 3.76 0.25 -5.02 115.29 119.89 1h4r s HIS 158 Ca -0.09 -2.23 -0.11 0.00 -0.15 0.00 0.00 55.06 52.48 1h4r s HIS 158 Cb 0.03 -4.12 -0.06 0.00 1.11 0.00 0.00 32.58 29.54 1h4r s HIS 158 CO 0.16 -1.23 0.88 0.15 -0.85 0.00 0.00 174.74 173.84 1h4r s LYS 159 N 0.67 3.72 -0.03 1.40 1.02 -1.26 -4.50 119.74 120.76 1h4r s LYS 159 Ca 0.36 0.58 -0.39 0.00 0.02 0.00 0.00 55.97 56.53 1h4r s LYS 159 Cb -0.06 -2.26 -0.18 0.00 -0.52 0.00 0.00 37.83 34.81 1h4r s LYS 159 CO -0.04 -0.25 1.26 0.54 -0.92 0.00 0.00 175.35 175.94 1h4r n ARG 160 N -1.91 0.50 -0.01 1.68 1.74 -1.26 -0.45 116.66 116.95 1h4r n ARG 160 Ca 0.04 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1h4r n ARG 160 Cb 0.54 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1h4r n ARG 160 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h4r n GLY 161 N 2.27 0.22 0.32 -0.13 0.00 -1.26 -4.96 105.19 101.65 1h4r n GLY 161 Ca 0.21 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.44 1h4r n GLY 161 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1h4r h PHE 162 N 0.00 0.00 -0.52 1.61 -0.00 -1.11 -1.24 116.94 115.68 1h4r h PHE 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1h4r h PHE 162 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1h4r h PHE 162 CO 0.00 0.01 0.00 1.28 -0.00 0.00 0.00 178.31 179.60 1h4r n LEU 163 N -3.20 3.63 -0.10 2.10 4.77 -1.26 -4.66 117.00 118.28 1h4r n LEU 163 Ca -0.02 -1.72 0.15 0.00 -0.03 0.00 0.00 56.01 54.39 1h4r n LEU 163 Cb 0.11 -0.34 0.54 0.00 -2.33 0.00 0.00 43.42 41.40 1h4r n LEU 163 CO 0.22 0.84 1.19 0.00 -1.33 0.00 0.00 177.39 178.32 1h4r h ALA 164 N 4.26 2.14 -0.64 -1.18 0.00 -1.62 -1.67 119.26 120.57 1h4r h ALA 164 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h4r h ALA 164 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1h4r h ALA 164 CO 0.00 -0.31 0.00 1.04 0.00 0.00 0.00 179.25 179.98 1h4r n GLN 165 N -4.46 2.70 -3.45 0.00 1.13 -1.26 -4.93 117.38 107.10 1h4r n GLN 165 Ca 0.11 -2.53 -0.37 0.00 -1.94 0.00 0.00 57.00 52.27 1h4r n GLN 165 Cb 0.47 -1.52 -0.06 0.00 0.11 0.00 0.00 30.24 29.24 1h4r n GLN 165 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1h4r s GLU 166 N -1.07 3.95 -0.49 -1.09 0.41 -0.63 -5.04 118.70 114.75 1h4r s GLU 166 Ca 0.44 0.45 -0.21 0.00 -0.41 0.00 0.00 54.97 55.24 1h4r s GLU 166 Cb 0.23 -3.16 0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1h4r s GLU 166 CO 0.31 0.64 0.70 -2.00 -0.49 0.00 0.00 175.26 174.42 1h4r s GLU 167 N -1.30 3.23 -0.03 1.61 2.12 -1.26 -4.86 118.70 118.21 1h4r s GLU 167 Ca 0.28 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 55.08 1h4r s GLU 167 Cb -0.17 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.14 1h4r s GLU 167 CO 0.16 -1.20 0.04 1.28 -0.54 0.00 0.00 175.26 174.99 1h4r n LEU 168 N 6.49 0.00 -4.30 2.70 4.77 -1.26 -5.07 117.00 120.33 1h4r n LEU 168 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1h4r n LEU 168 Cb 0.47 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1h4r n LEU 168 CO 0.56 0.07 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.42 1h4r s LEU 169 N -3.98 2.34 0.42 2.23 1.43 -1.26 -4.56 118.68 115.29 1h4r s LEU 169 Ca -0.02 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 1h4r s LEU 169 Cb 0.02 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.29 1h4r s LEU 169 CO 0.16 0.03 1.40 -2.84 0.23 0.00 0.00 176.35 175.33 1h4r s PRO 170 N -2.18 3.89 0.29 1.29 0.02 -1.26 -4.89 135.00 132.16 1h4r s PRO 170 Ca 0.09 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 63.48 1h4r s PRO 170 Cb -0.09 -2.78 0.49 0.00 0.02 0.00 0.00 34.50 32.14 1h4r s PRO 170 CO 0.05 -0.63 1.90 0.87 -0.33 0.00 0.00 177.00 178.86 1h4r h LYS 171 N 2.63 1.05 -0.83 5.54 1.57 -1.93 -1.52 116.57 123.08 1h4r h LYS 171 Ca -0.50 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 58.40 1h4r h LYS 171 Cb 1.25 -0.24 -0.12 0.00 0.08 0.00 0.00 32.23 33.21 1h4r h LYS 171 CO 0.62 0.70 0.32 -0.09 -0.57 0.00 0.00 179.45 180.43 1h4r h ARG 172 N 1.09 0.37 -0.08 3.15 2.43 -1.93 -0.61 114.38 118.80 1h4r h ARG 172 Ca 0.41 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 1h4r h ARG 172 Cb 0.20 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1h4r h ARG 172 CO -0.16 0.25 -0.15 0.28 -1.51 0.00 0.00 179.97 178.68 1h4r h VAL 173 N 0.38 1.40 -0.99 0.20 2.07 -1.65 -2.97 116.25 114.68 1h4r h VAL 173 Ca 0.50 -1.41 0.15 0.00 0.82 0.00 0.00 66.70 66.75 1h4r h VAL 173 Cb 0.88 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 32.68 1h4r h VAL 173 CO -0.50 0.40 0.62 0.40 0.02 0.00 0.00 177.57 178.51 1h4r h ILE 174 N -0.21 0.83 -0.00 4.57 2.04 -1.00 -2.32 117.51 121.41 1h4r h ILE 174 Ca 0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1h4r h ILE 174 Cb 0.72 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1h4r h ILE 174 CO 0.03 0.16 -0.01 0.59 0.00 0.00 0.00 178.15 178.92 1h4r n ASN 175 N -4.66 0.32 0.01 1.72 3.02 -0.29 -3.18 115.26 112.19 1h4r n ASN 175 Ca 0.21 -0.96 0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1h4r n ASN 175 Cb 0.46 -0.04 0.37 0.00 -0.61 0.00 0.00 39.78 39.95 1h4r n ASN 175 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1h4r n LEU 176 N -0.82 0.36 -4.34 3.41 4.77 -0.87 -4.95 117.00 114.57 1h4r n LEU 176 Ca 0.21 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.21 1h4r n LEU 176 Cb 0.19 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1h4r n LEU 176 CO 0.19 0.07 -0.27 -0.31 -1.33 0.00 0.00 177.39 175.73 1h4r s TYR 177 N -3.01 1.59 -1.08 -1.77 2.02 -1.19 -5.05 117.35 108.86 1h4r s TYR 177 Ca 0.12 -1.10 -0.03 0.00 -0.37 0.00 0.00 57.07 55.68 1h4r s TYR 177 Cb 0.18 -0.95 0.30 0.00 -0.40 0.00 0.00 41.96 41.08 1h4r s TYR 177 CO 0.65 -0.24 1.71 1.04 -1.57 0.00 0.00 175.55 177.14 1h4r n GLN 178 N -0.48 4.89 -5.08 -0.62 6.02 -1.26 -4.99 117.38 115.86 1h4r n GLN 178 Ca -0.01 -4.50 -0.29 0.00 -0.01 0.00 0.00 57.00 52.19 1h4r n GLN 178 Cb 0.66 -2.52 -0.16 0.00 1.02 0.00 0.00 30.24 29.24 1h4r n GLN 178 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1h4r s MET 179 N -3.25 2.28 0.74 -1.09 -1.94 -1.26 -5.12 119.30 109.66 1h4r s MET 179 Ca 0.36 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 1h4r s MET 179 Cb 0.12 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 35.08 1h4r s MET 179 CO -0.01 0.30 1.09 0.95 -0.01 0.00 0.00 175.02 177.34 1h4r s THR 180 N -0.01 3.35 0.28 2.05 -4.23 -1.26 -4.87 115.64 110.95 1h4r s THR 180 Ca -0.06 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1h4r s THR 180 Cb -0.13 -3.32 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1h4r s THR 180 CO 0.04 -0.57 1.87 -0.65 -0.54 0.00 0.00 174.62 174.77 1h4r h PRO 181 N -0.84 1.07 -0.28 3.99 0.11 -2.00 -0.87 132.00 133.19 1h4r h PRO 181 Ca -0.46 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1h4r h PRO 181 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1h4r h PRO 181 CO 0.62 0.71 -0.07 1.49 -0.21 0.00 0.00 178.00 180.54 1h4r h GLU 182 N 1.10 0.46 -0.41 1.05 4.81 -1.99 -0.24 114.58 119.36 1h4r h GLU 182 Ca 0.45 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 1h4r h GLU 182 Cb 0.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1h4r h GLU 182 CO -0.20 0.54 -0.14 0.52 -0.73 0.00 0.00 179.01 179.00 1h4r h MET 183 N 0.43 0.83 -0.62 1.92 2.86 -1.55 -1.24 114.93 117.55 1h4r h MET 183 Ca 0.09 -0.34 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1h4r h MET 183 Cb 0.39 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1h4r h MET 183 CO 0.02 0.97 0.05 -1.49 1.06 0.00 0.00 176.91 177.52 1h4r h TRP 184 N 0.64 1.13 -0.96 -0.22 4.06 -1.09 -2.30 115.95 117.22 1h4r h TRP 184 Ca 0.10 -0.17 0.04 0.00 2.06 0.00 0.00 58.89 60.92 1h4r h TRP 184 Cb 0.69 -0.31 -0.06 0.00 -1.00 0.00 0.00 29.16 28.48 1h4r h TRP 184 CO 0.05 0.98 0.63 1.49 -3.56 0.00 0.00 178.44 178.03 1h4r h GLU 185 N 0.98 1.17 -0.30 0.49 4.81 -0.86 0.06 114.58 120.93 1h4r h GLU 185 Ca 0.18 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1h4r h GLU 185 Cb 0.49 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1h4r h GLU 185 CO 0.02 0.77 0.17 1.49 -0.73 0.00 0.00 179.01 180.73 1h4r h GLU 186 N 1.20 0.42 -0.38 1.92 4.81 -0.86 0.17 114.58 121.86 1h4r h GLU 186 Ca 0.39 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1h4r h GLU 186 Cb 0.03 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1h4r h GLU 186 CO -0.12 0.35 0.24 0.00 -0.73 0.00 0.00 179.01 178.74 1h4r h ARG 187 N 0.37 0.51 -0.38 1.92 2.47 -0.81 -1.48 114.38 116.98 1h4r h ARG 187 Ca 0.11 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 1h4r h ARG 187 Cb 0.05 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1h4r h ARG 187 CO -0.02 0.37 -0.01 0.82 0.56 0.00 0.00 179.97 181.69 1h4r h ILE 188 N 0.50 1.26 -0.80 2.04 2.04 -0.79 -3.00 117.51 118.77 1h4r h ILE 188 Ca 0.14 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1h4r h ILE 188 Cb -0.01 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1h4r h ILE 188 CO -0.03 0.34 0.42 0.74 0.00 0.00 0.00 178.15 179.63 1h4r h THR 189 N 0.50 1.24 -0.54 -0.27 2.02 -0.50 -0.53 112.91 114.84 1h4r h THR 189 Ca 0.11 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.75 1h4r h THR 189 Cb 0.49 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 1h4r h THR 189 CO 0.02 0.27 0.18 0.00 0.37 0.00 0.00 175.52 176.36 1h4r h ALA 190 N 1.34 0.66 -0.27 6.16 0.00 -1.12 0.12 119.26 126.15 1h4r h ALA 190 Ca 0.28 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1h4r h ALA 190 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1h4r h ALA 190 CO -0.04 -0.23 -0.15 -1.49 0.00 0.00 0.00 179.25 177.34 1h4r h TRP 191 N 0.35 0.67 -0.76 0.00 4.06 -1.45 -3.22 115.95 115.60 1h4r h TRP 191 Ca 0.27 -0.17 0.09 0.00 2.06 0.00 0.00 58.89 61.14 1h4r h TRP 191 Cb 0.32 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.26 1h4r h TRP 191 CO -0.18 0.83 0.41 -0.92 -3.56 0.00 0.00 178.44 175.02 1h4r h TYR 192 N 0.32 0.73 -0.24 0.49 -0.00 -0.50 0.30 116.97 118.08 1h4r h TYR 192 Ca 0.06 0.03 0.07 0.00 -0.00 0.00 0.00 58.73 58.89 1h4r h TYR 192 Cb 0.66 -0.22 -0.01 0.00 -0.00 0.00 0.00 36.73 37.17 1h4r h TYR 192 CO 0.06 0.29 0.17 0.00 -0.00 0.00 0.00 178.16 178.69 1h4r h ALA 193 N 1.43 2.19 0.00 1.82 0.00 -0.79 -0.53 119.26 123.38 1h4r h ALA 193 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1h4r h ALA 193 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h4r h ALA 193 CO -0.25 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.09 1h4r n GLU 194 N -4.41 0.02 -0.20 0.00 1.02 0.09 -3.42 120.64 113.75 1h4r n GLU 194 Ca 0.03 0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1h4r n GLU 194 Cb 0.32 -1.52 0.26 0.00 -0.02 0.00 0.00 31.44 30.48 1h4r n GLU 194 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1h4r n HIS 195 N -1.56 0.51 -1.62 -0.32 8.25 -0.21 -4.98 115.22 115.31 1h4r n HIS 195 Ca 0.07 -0.26 -0.51 0.00 -0.26 0.00 0.00 57.72 56.76 1h4r n HIS 195 Cb 0.35 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 1h4r n HIS 195 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1h4r n ARG 196 N 0.94 1.41 0.00 -0.41 1.74 -1.22 -1.68 116.66 117.44 1h4r n ARG 196 Ca 0.17 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1h4r n ARG 196 Cb 0.45 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1h4r n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h4r n GLY 197 N 2.83 1.23 3.69 -0.13 0.00 -1.26 -5.05 105.19 106.49 1h4r n GLY 197 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1h4r n GLY 197 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h4r s ARG 198 N -0.99 4.41 0.70 1.61 6.06 -0.68 -5.02 118.95 125.04 1h4r s ARG 198 Ca 0.00 1.45 -0.16 0.00 -2.50 0.00 0.00 55.73 54.52 1h4r s ARG 198 Cb 0.00 -3.55 0.02 0.00 0.06 0.00 0.00 34.95 31.49 1h4r s ARG 198 CO 0.00 -0.35 1.22 0.00 -2.50 0.00 0.00 175.30 173.68 1h4r s ALA 199 N 2.06 2.21 0.20 6.12 0.00 -1.26 -4.79 121.76 126.30 1h4r s ALA 199 Ca 0.50 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 1h4r s ALA 199 Cb -0.20 -3.49 0.19 0.00 0.00 0.00 0.00 23.12 19.63 1h4r s ALA 199 CO 0.19 -1.75 1.83 0.00 0.00 0.00 0.00 175.76 176.03 1h4r h ARG 200 N -0.00 0.76 -0.06 0.00 3.08 -1.88 -0.05 114.38 116.22 1h4r h ARG 200 Ca -0.49 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1h4r h ARG 200 Cb 1.30 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1h4r h ARG 200 CO 0.51 0.50 -0.34 0.38 -1.07 0.00 0.00 179.97 179.95 1h4r h ASP 201 N 0.78 0.12 0.36 7.04 2.03 -1.91 -2.38 116.42 122.46 1h4r h ASP 201 Ca 0.27 -0.04 -0.17 0.00 -0.73 0.00 0.00 57.03 56.37 1h4r h ASP 201 Cb 0.06 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 1h4r h ASP 201 CO -0.12 0.46 -0.69 -0.33 -1.03 0.00 0.00 179.24 177.53 1h4r h GLU 202 N 0.11 0.29 -0.25 4.15 5.08 -1.64 -2.37 114.58 119.95 1h4r h GLU 202 Ca 0.01 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1h4r h GLU 202 Cb 0.65 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1h4r h GLU 202 CO 0.05 0.87 -0.28 0.00 -1.00 0.00 0.00 179.01 178.64 1h4r h ALA 203 N 1.07 1.05 -0.38 3.43 0.00 -0.65 -0.33 119.26 123.45 1h4r h ALA 203 Ca -0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1h4r h ALA 203 Cb 1.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1h4r h ALA 203 CO 0.11 0.58 -0.26 0.93 0.00 0.00 0.00 179.25 180.61 1h4r h GLU 204 N 0.43 0.79 -0.34 0.00 5.08 -1.26 -1.33 114.58 117.95 1h4r h GLU 204 Ca 0.06 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 1h4r h GLU 204 Cb 0.72 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1h4r h GLU 204 CO 0.06 0.96 -0.27 1.98 -1.00 0.00 0.00 179.01 180.73 1h4r h MET 205 N 0.68 0.70 -0.45 2.33 4.05 -0.99 -1.70 114.93 119.55 1h4r h MET 205 Ca 0.09 -0.30 -0.05 0.00 -0.28 0.00 0.00 59.70 59.16 1h4r h MET 205 Cb 0.79 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 1h4r h MET 205 CO 0.06 0.90 0.06 0.93 0.23 0.00 0.00 176.91 179.09 1h4r h GLU 206 N 0.60 0.69 0.34 0.39 4.39 -0.68 -0.85 114.58 119.47 1h4r h GLU 206 Ca 0.08 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1h4r h GLU 206 Cb 0.77 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1h4r h GLU 206 CO 0.06 0.67 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.49 1h4r h TYR 207 N 0.67 -0.43 -0.88 4.33 5.03 -0.96 -2.56 116.97 122.17 1h4r h TYR 207 Ca 0.14 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.53 1h4r h TYR 207 Cb 0.32 0.14 -0.06 0.00 1.55 0.00 0.00 36.73 38.68 1h4r h TYR 207 CO 0.02 -0.24 0.57 -0.07 -1.32 0.00 0.00 178.16 177.12 1h4r h LEU 208 N -0.50 0.82 -0.78 2.82 3.38 -0.96 -0.33 115.31 119.75 1h4r h LEU 208 Ca -0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1h4r h LEU 208 Cb 0.38 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1h4r h LEU 208 CO 0.08 0.50 0.04 0.11 0.09 0.00 0.00 178.44 179.26 1h4r h LYS 209 N 0.91 0.97 -0.17 1.13 1.57 -0.91 0.14 116.57 120.21 1h4r h LYS 209 Ca 0.40 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1h4r h LYS 209 Cb 0.34 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1h4r h LYS 209 CO -0.16 0.93 -0.18 0.82 -0.57 0.00 0.00 179.45 180.28 1h4r h ILE 210 N 0.90 1.34 -0.58 1.86 2.04 -1.03 -3.30 117.51 118.74 1h4r h ILE 210 Ca 0.17 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1h4r h ILE 210 Cb 0.47 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1h4r h ILE 210 CO 0.02 0.40 0.22 0.00 0.00 0.00 0.00 178.15 178.80 1h4r h ALA 211 N 0.62 1.30 0.00 1.87 0.00 -0.79 -2.57 119.26 119.69 1h4r h ALA 211 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1h4r h ALA 211 Cb 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1h4r h ALA 211 CO 0.04 0.52 0.00 -0.56 0.00 0.00 0.00 179.25 179.25 1h4r h GLN 212 N 0.84 0.00 -0.00 0.00 3.07 -1.05 -1.12 115.11 116.85 1h4r h GLN 212 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.94 1h4r h GLN 212 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1h4r h GLN 212 CO -0.02 0.00 -0.29 -0.25 0.09 0.00 0.00 178.83 178.36 1h4r n ASP 213 N -3.05 0.56 -4.77 0.06 8.00 -0.97 -4.84 116.55 111.54 1h4r n ASP 213 Ca -0.00 -0.39 -0.41 0.00 0.71 0.00 0.00 54.79 54.71 1h4r n ASP 213 Cb 0.24 0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 1h4r n ASP 213 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h4r s LEU 214 N -2.76 4.44 0.40 0.64 1.43 -0.42 -4.92 118.68 117.49 1h4r s LEU 214 Ca 0.19 2.66 0.12 0.00 -1.03 0.00 0.00 54.13 56.06 1h4r s LEU 214 Cb 0.19 -3.65 0.95 0.00 0.03 0.00 0.00 46.19 43.71 1h4r s LEU 214 CO 0.58 -0.51 1.93 -0.33 0.23 0.00 0.00 176.35 178.26 1h4r h GLU 215 N 3.45 0.51 -0.01 1.70 5.08 -1.88 -2.17 114.58 121.26 1h4r h GLU 215 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1h4r h GLU 215 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1h4r h GLU 215 CO 0.66 0.33 -0.29 -1.33 -1.00 0.00 0.00 179.01 177.39 1h4r n MET 216 N -4.49 0.76 -1.71 2.33 2.81 -1.26 -4.90 117.12 110.66 1h4r n MET 216 Ca 0.13 -0.45 -0.43 0.00 -1.81 0.00 0.00 57.70 55.14 1h4r n MET 216 Cb 0.42 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 1h4r n MET 216 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1h4r n TYR 217 N -0.73 2.65 -0.97 2.03 4.19 -0.82 -2.57 117.16 120.96 1h4r n TYR 217 Ca 0.11 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.42 1h4r n TYR 217 Cb 0.35 -2.64 0.00 0.00 0.49 0.00 0.00 39.34 37.54 1h4r n TYR 217 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1h4r n GLY 218 N 3.75 0.59 3.72 2.98 0.00 -1.26 -5.00 105.19 109.97 1h4r n GLY 218 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1h4r n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h4r s VAL 219 N -2.53 5.38 -0.28 1.61 1.01 -1.06 -4.48 120.40 120.05 1h4r s VAL 219 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1h4r s VAL 219 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1h4r s VAL 219 CO 0.00 0.41 0.31 0.20 0.00 0.00 0.00 175.10 176.02 1h4r s ASN 220 N 0.50 6.16 -0.05 3.32 0.01 -0.59 -4.93 114.94 119.36 1h4r s ASN 220 Ca 0.10 0.14 -0.03 0.00 -0.71 0.00 0.00 52.86 52.36 1h4r s ASN 220 Cb -0.12 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1h4r s ASN 220 CO 0.00 -0.15 0.09 -0.31 -1.51 0.00 0.00 177.10 175.22 1h4r s TYR 221 N 1.96 3.38 -0.01 2.20 1.51 -1.26 -1.20 117.35 123.93 1h4r s TYR 221 Ca 0.12 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 1h4r s TYR 221 Cb -0.16 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.88 1h4r s TYR 221 CO 0.10 0.60 0.00 -0.06 -1.11 0.00 0.00 175.55 175.09 1h4r s PHE 222 N -1.10 0.08 0.05 2.71 0.08 0.26 -4.96 117.98 115.10 1h4r s PHE 222 Ca 0.19 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 1h4r s PHE 222 Cb -0.12 -0.12 -0.05 0.00 -0.57 0.00 0.00 43.02 42.16 1h4r s PHE 222 CO 0.09 -0.03 1.13 0.00 -0.10 0.00 0.00 175.22 176.31 1h4r s ALA 223 N 0.35 3.32 0.19 5.36 0.00 -1.26 -0.48 121.76 129.24 1h4r s ALA 223 Ca -0.03 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1h4r s ALA 223 Cb -0.05 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1h4r s ALA 223 CO -0.01 -0.36 0.18 0.96 0.00 0.00 0.00 175.76 176.53 1h4r s ILE 224 N 0.94 0.02 -0.06 0.00 -4.36 -0.22 -4.83 121.20 112.70 1h4r s ILE 224 Ca 0.56 -1.85 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 1h4r s ILE 224 Cb -0.27 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.13 1h4r s ILE 224 CO 0.29 -0.11 -0.13 -0.13 0.24 0.00 0.00 174.94 175.10 1h4r s ARG 225 N -4.10 1.67 0.90 0.37 0.52 -0.89 -0.82 118.95 116.59 1h4r s ARG 225 Ca 0.32 -0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 1h4r s ARG 225 Cb 0.06 -1.40 0.21 0.00 0.52 0.00 0.00 34.95 34.33 1h4r s ARG 225 CO 0.09 0.09 1.22 0.27 0.02 0.00 0.00 175.30 176.98 1h4r n ASN 226 N 3.60 0.06 0.09 0.23 0.23 -0.66 -0.60 115.26 118.20 1h4r n ASN 226 Ca -0.21 -1.43 0.11 0.00 -0.53 0.00 0.00 54.58 52.51 1h4r n ASN 226 Cb 0.52 -0.93 0.44 0.00 -2.08 0.00 0.00 39.78 37.72 1h4r n ASN 226 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1h4r n LYS 227 N -3.60 0.13 0.00 -3.83 4.76 -1.26 -1.05 118.16 113.32 1h4r n LYS 227 Ca 0.15 0.35 0.14 0.00 -2.87 0.00 0.00 58.31 56.08 1h4r n LYS 227 Cb 0.53 -1.74 0.52 0.00 -1.84 0.00 0.00 35.03 32.49 1h4r n LYS 227 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1h4r n LYS 228 N -2.00 1.21 -0.71 1.97 5.02 -1.26 -4.91 118.16 117.49 1h4r n LYS 228 Ca 0.03 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1h4r n LYS 228 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1h4r n LYS 228 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h4r n GLY 229 N 1.23 0.61 3.72 0.72 0.00 -0.21 -5.04 105.19 106.22 1h4r n GLY 229 Ca 0.16 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1h4r n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4r s THR 230 N -2.00 4.38 0.02 2.61 2.01 -1.25 -4.78 115.64 116.63 1h4r s THR 230 Ca 0.00 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 1h4r s THR 230 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 1h4r s THR 230 CO 0.00 0.17 1.41 -1.61 -0.69 0.00 0.00 174.62 173.90 1h4r s GLU 231 N 0.76 4.29 0.30 4.92 0.41 -1.26 -1.66 118.70 126.46 1h4r s GLU 231 Ca 0.54 2.00 0.04 0.00 -0.41 0.00 0.00 54.97 57.14 1h4r s GLU 231 Cb -0.26 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.54 1h4r s GLU 231 CO 0.30 -0.56 0.28 -0.51 -0.49 0.00 0.00 175.26 174.28 1h4r s LEU 232 N 2.20 1.48 -0.06 1.80 1.43 -0.01 -4.44 118.68 121.09 1h4r s LEU 232 Ca 0.65 -1.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.18 1h4r s LEU 232 Cb -0.33 0.68 -0.01 0.00 0.03 0.00 0.00 46.19 46.57 1h4r s LEU 232 CO 0.27 -1.05 -0.25 -0.76 0.23 0.00 0.00 176.35 174.79 1h4r s LEU 233 N -3.30 2.06 -0.15 1.79 1.43 -0.08 -1.06 118.68 119.37 1h4r s LEU 233 Ca 0.38 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1h4r s LEU 233 Cb 0.03 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1h4r s LEU 233 CO 0.23 0.24 0.36 -0.22 0.23 0.00 0.00 176.35 177.19 1h4r s LEU 234 N -0.16 4.25 -0.16 1.79 2.96 0.36 -0.60 118.68 127.13 1h4r s LEU 234 Ca -0.04 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1h4r s LEU 234 Cb -0.14 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 1h4r s LEU 234 CO 0.04 0.06 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.19 1h4r s GLY 235 N 0.55 1.56 -0.19 7.98 0.00 0.33 -0.58 107.32 116.96 1h4r s GLY 235 Ca 0.20 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1h4r s GLY 235 CO 0.06 0.05 -0.09 0.14 0.00 0.00 0.00 173.10 173.27 1h4r s VAL 236 N 0.79 3.09 0.13 1.40 1.01 -0.34 -0.59 120.40 125.89 1h4r s VAL 236 Ca -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1h4r s VAL 236 Cb -0.15 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1h4r s VAL 236 CO 0.01 0.46 0.15 -0.90 0.00 0.00 0.00 175.10 174.82 1h4r n ASP 237 N 4.49 -0.39 0.27 3.32 5.68 -0.70 -1.54 116.55 127.67 1h4r n ASP 237 Ca -0.19 -1.79 0.13 0.00 -0.50 0.00 0.00 54.79 52.45 1h4r n ASP 237 Cb 0.51 0.80 0.75 0.00 -1.14 0.00 0.00 41.12 42.05 1h4r n ASP 237 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h4r h ALA 238 N 1.53 1.27 0.00 2.12 0.00 -1.85 -3.04 119.26 119.29 1h4r h ALA 238 Ca -0.10 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1h4r h ALA 238 Cb 0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1h4r h ALA 238 CO 0.14 0.13 -1.80 1.28 0.00 0.00 0.00 179.25 178.99 1h4r n LEU 239 N -3.61 0.60 0.00 0.00 4.32 -1.26 -4.72 117.00 112.33 1h4r n LEU 239 Ca -0.02 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1h4r n LEU 239 Cb 0.23 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1h4r n LEU 239 CO 0.29 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1h4r n GLY 240 N 1.54 -0.54 3.59 -0.72 0.00 -1.15 -1.74 105.19 106.17 1h4r n GLY 240 Ca -0.18 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1h4r n GLY 240 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4r s LEU 241 N 0.00 3.18 0.01 0.99 1.43 -0.60 -1.73 118.68 121.95 1h4r s LEU 241 Ca 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1h4r s LEU 241 Cb 0.00 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1h4r s LEU 241 CO 0.00 0.32 -0.02 -1.00 0.23 0.00 0.00 176.35 175.88 1h4r s HIS 242 N -0.92 0.15 -0.21 0.29 3.76 0.25 -0.21 115.29 118.40 1h4r s HIS 242 Ca 0.15 -0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1h4r s HIS 242 Cb -0.11 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.47 1h4r s HIS 242 CO 0.05 -0.04 -0.04 0.42 -0.85 0.00 0.00 174.74 174.28 1h4r s ILE 243 N -0.37 3.46 0.07 0.60 -1.09 -0.18 -0.51 121.20 123.18 1h4r s ILE 243 Ca -0.03 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 57.98 1h4r s ILE 243 Cb -0.03 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 1h4r s ILE 243 CO -0.00 0.43 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.70 1h4r s TYR 244 N 1.30 2.69 0.28 3.97 1.51 0.24 -0.61 117.35 126.73 1h4r s TYR 244 Ca 0.04 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 1h4r s TYR 244 Cb -0.14 -1.47 -0.10 0.00 -0.11 0.00 0.00 41.96 40.14 1h4r s TYR 244 CO -0.02 0.36 1.18 -0.51 -1.11 0.00 0.00 175.55 175.45 1h4r s ASP 245 N -1.81 7.08 0.55 2.29 1.01 -1.26 -0.90 116.67 123.62 1h4r s ASP 245 Ca 0.18 2.40 0.24 0.00 0.71 0.00 0.00 52.55 56.08 1h4r s ASP 245 Cb -0.11 -2.63 1.44 0.00 1.01 0.00 0.00 42.92 42.63 1h4r s ASP 245 CO 0.09 -0.30 2.06 -0.65 0.21 0.00 0.00 175.17 176.58 1h4r h PRO 246 N 3.91 0.00 -0.06 8.23 0.11 -1.89 -0.37 132.00 141.94 1h4r h PRO 246 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h4r h PRO 246 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h4r h PRO 246 CO 0.68 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.86 1h4r n GLU 247 N -4.24 1.41 -3.46 1.05 -0.58 -1.26 -4.53 120.64 109.03 1h4r n GLU 247 Ca 0.05 -0.61 -0.27 0.00 -0.42 0.00 0.00 57.16 55.91 1h4r n GLU 247 Cb 0.41 -1.42 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 1h4r n GLU 247 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1h4r s ASN 248 N -1.78 2.80 0.00 1.62 3.84 -0.15 -4.96 114.94 116.32 1h4r s ASN 248 Ca 0.36 -1.91 0.26 0.00 0.21 0.00 0.00 52.86 51.79 1h4r s ASN 248 Cb 0.18 -0.24 1.09 0.00 -0.55 0.00 0.00 41.25 41.73 1h4r s ASN 248 CO 0.29 -0.33 1.75 0.54 -2.79 0.00 0.00 177.10 176.57 1h4r n ARG 249 N 4.32 1.56 0.01 0.43 1.74 -1.26 -4.16 116.66 119.31 1h4r n ARG 249 Ca 0.08 -0.83 -0.22 0.00 -0.77 0.00 0.00 57.85 56.12 1h4r n ARG 249 Cb 0.39 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 1h4r n ARG 249 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1h4r h LEU 250 N 1.89 0.40 -7.54 0.55 3.38 -1.92 -3.43 115.31 108.64 1h4r h LEU 250 Ca 0.00 -0.86 -0.59 0.00 0.09 0.00 0.00 57.88 56.51 1h4r h LEU 250 Cb 0.41 -0.13 -0.39 0.00 0.09 0.00 0.00 40.66 40.64 1h4r h LEU 250 CO 0.00 1.66 -0.78 -0.89 0.09 0.00 0.00 178.44 178.52 1h4r s THR 251 N -2.49 1.32 0.47 0.22 2.01 -1.26 -4.76 115.64 111.15 1h4r s THR 251 Ca -0.20 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.44 1h4r s THR 251 Cb 0.05 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 1h4r s THR 251 CO 0.77 -0.17 1.09 -2.16 -0.69 0.00 0.00 174.62 173.46 1h4r s PRO 252 N 1.48 3.81 0.14 4.92 0.04 -1.26 -4.79 135.00 139.34 1h4r s PRO 252 Ca -0.04 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1h4r s PRO 252 Cb -0.18 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 1h4r s PRO 252 CO -0.08 -0.46 1.33 0.87 0.04 0.00 0.00 177.00 178.70 1h4r h LYS 253 N 1.87 0.05 -4.55 4.56 1.79 -1.24 -3.46 116.57 115.59 1h4r h LYS 253 Ca -0.49 -0.07 -0.39 0.00 -2.18 0.00 0.00 60.65 57.52 1h4r h LYS 253 Cb 1.23 0.02 -0.29 0.00 -1.58 0.00 0.00 32.23 31.61 1h4r h LYS 253 CO 0.60 0.96 -0.77 0.42 -1.08 0.00 0.00 179.45 179.57 1h4r s ILE 254 N -2.91 0.64 -0.02 1.86 1.01 -1.15 -5.01 121.20 115.62 1h4r s ILE 254 Ca -0.00 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1h4r s ILE 254 Cb 0.10 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1h4r s ILE 254 CO 0.82 0.19 -0.14 -0.44 0.00 0.00 0.00 174.94 175.37 1h4r s SER 255 N -0.03 1.71 -0.46 3.58 0.01 -1.26 -1.01 113.70 116.24 1h4r s SER 255 Ca 0.01 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1h4r s SER 255 Cb -0.05 -0.33 0.12 0.00 0.21 0.00 0.00 66.02 65.97 1h4r s SER 255 CO -0.00 0.14 0.21 -0.36 0.41 0.00 0.00 173.24 173.64 1h4r s PHE 256 N -0.11 3.49 0.61 2.43 0.08 0.71 -5.00 117.98 120.19 1h4r s PHE 256 Ca 0.01 -2.91 -0.19 0.00 0.12 0.00 0.00 56.93 53.97 1h4r s PHE 256 Cb -0.08 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1h4r s PHE 256 CO 0.00 -0.87 1.16 -2.30 -0.10 0.00 0.00 175.22 173.12 1h4r n PRO 257 N 3.81 1.11 0.10 0.24 -0.02 -1.26 -1.56 135.00 137.42 1h4r n PRO 257 Ca 0.04 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1h4r n PRO 257 Cb 0.38 -2.38 0.53 0.00 -0.02 0.00 0.00 33.50 32.02 1h4r n PRO 257 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1h4r h TRP 258 N 0.65 0.27 -0.05 6.00 -0.00 -1.70 -0.94 115.95 120.18 1h4r h TRP 258 Ca -0.50 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.40 1h4r h TRP 258 Cb 1.35 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1h4r h TRP 258 CO 0.40 0.16 0.00 0.27 -0.00 0.00 0.00 178.44 179.27 1h4r n ASN 259 N -4.50 0.36 0.00 -3.49 6.94 -1.26 -2.93 115.26 110.38 1h4r n ASN 259 Ca 0.02 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1h4r n ASN 259 Cb 0.14 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1h4r n ASN 259 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1h4r n GLU 260 N -0.41 -0.39 -4.35 -3.83 1.02 -0.36 -4.98 120.64 107.33 1h4r n GLU 260 Ca 0.08 -0.63 -0.34 0.00 -0.02 0.00 0.00 57.16 56.25 1h4r n GLU 260 Cb 0.08 -0.98 -0.12 0.00 -0.02 0.00 0.00 31.44 30.41 1h4r n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h4r s ILE 261 N -0.14 4.04 -0.09 -3.67 1.01 -1.15 -0.81 121.20 120.38 1h4r s ILE 261 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 1h4r s ILE 261 Cb 0.00 -2.77 -0.14 0.00 0.01 0.00 0.00 42.46 39.56 1h4r s ILE 261 CO 0.00 0.49 0.58 -0.09 0.00 0.00 0.00 174.94 175.93 1h4r h ARG 262 N 6.62 -0.10 -3.21 2.79 2.43 -0.09 -3.45 114.38 119.38 1h4r h ARG 262 Ca -0.33 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1h4r h ARG 262 Cb 1.19 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.67 1h4r h ARG 262 CO 0.64 0.37 0.10 1.21 -1.51 0.00 0.00 179.97 180.77 1h4r s ASN 263 N -5.70 -0.28 -0.05 -3.80 3.84 -1.23 -5.04 114.94 102.68 1h4r s ASN 263 Ca -0.11 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.46 1h4r s ASN 263 Cb -0.01 0.63 0.02 0.00 -0.55 0.00 0.00 41.25 41.35 1h4r s ASN 263 CO 0.39 -1.14 -0.04 -0.51 -2.79 0.00 0.00 177.10 173.01 1h4r s ILE 264 N -3.89 0.52 0.18 -5.21 1.10 -1.26 -2.78 121.20 109.86 1h4r s ILE 264 Ca 0.10 -0.07 -0.08 0.00 -0.51 0.00 0.00 60.65 60.08 1h4r s ILE 264 Cb -0.03 -0.58 -0.01 0.00 0.15 0.00 0.00 42.46 41.99 1h4r s ILE 264 CO 0.00 0.24 0.28 -0.94 -2.11 0.00 0.00 174.94 172.41 1h4r s SER 265 N 1.20 0.05 0.02 4.50 1.04 -1.15 -5.02 113.70 114.34 1h4r s SER 265 Ca -0.07 -0.94 -0.08 0.00 0.48 0.00 0.00 55.95 55.35 1h4r s SER 265 Cb -0.14 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1h4r s SER 265 CO -0.02 -0.91 0.15 -0.72 0.98 0.00 0.00 173.24 172.72 1h4r s TYR 266 N -4.00 0.08 -0.20 5.02 1.13 -1.26 -0.71 117.35 117.41 1h4r s TYR 266 Ca 0.20 -0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 55.58 1h4r s TYR 266 Cb 0.03 -0.06 0.06 0.00 -1.10 0.00 0.00 41.96 40.90 1h4r s TYR 266 CO 0.02 -0.34 0.07 0.45 -2.51 0.00 0.00 175.55 173.24 1h4r s SER 267 N -1.72 2.77 1.09 -0.18 0.15 0.24 -4.97 113.70 111.07 1h4r s SER 267 Ca -0.10 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1h4r s SER 267 Cb -0.05 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1h4r s SER 267 CO -0.01 -0.34 0.00 0.47 1.20 0.00 0.00 173.24 174.56 1h4r n ASP 268 N 5.15 0.00 -0.48 5.45 10.43 -1.26 -2.54 116.55 133.30 1h4r n ASP 268 Ca -0.08 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.36 1h4r n ASP 268 Cb 0.47 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.71 1h4r n ASP 268 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 1h4r n LYS 269 N 12.18 1.62 -4.18 -1.24 2.85 -1.26 -4.95 118.16 123.18 1h4r n LYS 269 Ca 0.00 -0.95 -0.34 0.00 -1.05 0.00 0.00 58.31 55.97 1h4r n LYS 269 Cb 0.00 -1.30 -0.14 0.00 -0.65 0.00 0.00 35.03 32.94 1h4r n LYS 269 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1h4r s GLU 270 N -1.73 3.46 -0.01 -1.58 2.12 -1.05 -0.01 118.70 119.90 1h4r s GLU 270 Ca 0.26 -0.60 -0.06 0.00 0.36 0.00 0.00 54.97 54.93 1h4r s GLU 270 Cb 0.13 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1h4r s GLU 270 CO 0.20 -0.01 0.23 -0.06 -0.54 0.00 0.00 175.26 175.07 1h4r s PHE 271 N 1.01 3.57 -0.10 5.30 0.40 0.47 -0.60 117.98 128.03 1h4r s PHE 271 Ca 0.00 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.85 1h4r s PHE 271 Cb -0.15 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.47 1h4r s PHE 271 CO 0.00 0.64 -0.11 0.99 0.70 0.00 0.00 175.22 177.44 1h4r s THR 272 N -1.27 1.17 -0.24 0.64 2.01 0.11 -1.98 115.64 116.08 1h4r s THR 272 Ca 0.26 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 1h4r s THR 272 Cb -0.13 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1h4r s THR 272 CO 0.15 0.38 0.16 -0.63 -0.69 0.00 0.00 174.62 173.99 1h4r s ILE 273 N 1.23 5.36 -0.34 1.82 1.01 0.67 -2.94 121.20 128.00 1h4r s ILE 273 Ca -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1h4r s ILE 273 Cb -0.14 -3.50 0.07 0.00 0.01 0.00 0.00 42.46 38.90 1h4r s ILE 273 CO -0.03 0.35 0.09 -0.54 0.00 0.00 0.00 174.94 174.80 1h4r s LYS 274 N 1.01 2.30 0.51 2.79 1.02 -1.12 -0.68 119.74 125.57 1h4r s LYS 274 Ca 0.08 -1.45 -0.22 0.00 0.02 0.00 0.00 55.97 54.40 1h4r s LYS 274 Cb -0.13 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.76 1h4r s LYS 274 CO 0.04 -0.78 1.27 -2.14 -0.92 0.00 0.00 175.35 172.82 1h4r s PRO 275 N 1.23 3.42 0.33 -1.68 0.02 -1.26 0.60 135.00 137.66 1h4r s PRO 275 Ca 0.00 2.02 0.16 0.00 0.02 0.00 0.00 61.00 63.20 1h4r s PRO 275 Cb -0.21 -2.32 0.46 0.00 0.02 0.00 0.00 34.50 32.46 1h4r s PRO 275 CO -0.02 -0.90 1.63 -0.07 -0.33 0.00 0.00 177.00 177.32 1h4r h LEU 276 N 1.72 0.00 -8.33 -5.54 3.38 -1.28 -3.40 115.31 101.86 1h4r h LEU 276 Ca -0.50 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.88 1h4r h LEU 276 Cb 1.28 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.91 1h4r h LEU 276 CO 0.59 0.48 0.76 -0.62 0.09 0.00 0.00 178.44 179.73 1h4r s ASP 277 N -6.52 6.19 0.62 -0.43 -1.08 -1.26 -4.88 116.67 109.32 1h4r s ASP 277 Ca 0.01 -0.68 0.30 0.00 -0.52 0.00 0.00 52.55 51.65 1h4r s ASP 277 Cb 0.11 -2.48 1.62 0.00 -1.46 0.00 0.00 42.92 40.71 1h4r s ASP 277 CO 0.72 -1.58 1.90 0.07 0.52 0.00 0.00 175.17 176.80 1h4r h LYS 278 N 9.72 0.00 0.00 4.34 -0.00 -2.00 0.81 116.57 129.45 1h4r h LYS 278 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.35 1h4r h LYS 278 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.29 1h4r h LYS 278 CO 1.21 0.00 -0.07 0.87 -0.00 0.00 0.00 179.45 181.46 1h4r h LYS 279 N 0.00 0.00 -5.43 0.07 1.57 -1.94 -3.41 116.57 107.43 1h4r h LYS 279 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1h4r h LYS 279 Cb 0.56 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 1h4r h LYS 279 CO 0.00 0.07 -0.27 0.42 -0.57 0.00 0.00 179.45 179.09 1h4r s ILE 280 N -3.67 5.25 0.71 1.86 1.01 0.28 -5.08 121.20 121.57 1h4r s ILE 280 Ca 0.01 0.61 -0.13 0.00 0.00 0.00 0.00 60.65 61.14 1h4r s ILE 280 Cb 0.09 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.92 1h4r s ILE 280 CO 0.58 0.31 1.12 -1.81 0.00 0.00 0.00 174.94 175.13 1h4r s ASP 281 N 0.83 4.70 0.61 3.58 1.01 -1.26 -4.68 116.67 121.46 1h4r s ASP 281 Ca 0.17 2.00 -0.18 0.00 0.71 0.00 0.00 52.55 55.25 1h4r s ASP 281 Cb -0.14 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1h4r s ASP 281 CO 0.06 -1.90 1.21 0.68 0.21 0.00 0.00 175.17 175.43 1h4r s VAL 282 N -2.49 2.56 -0.25 -1.27 -7.23 -1.26 -4.74 120.40 105.71 1h4r s VAL 282 Ca 0.66 0.34 -0.06 0.00 -1.81 0.00 0.00 61.98 61.11 1h4r s VAL 282 Cb -0.21 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1h4r s VAL 282 CO 0.47 -0.08 0.03 0.12 -0.31 0.00 0.00 175.10 175.33 1h4r s PHE 283 N -1.63 3.06 -0.00 2.82 2.19 0.14 -4.94 117.98 119.62 1h4r s PHE 283 Ca 0.77 -0.80 0.03 0.00 0.33 0.00 0.00 56.93 57.26 1h4r s PHE 283 Cb -0.31 -2.19 -0.03 0.00 -1.31 0.00 0.00 43.02 39.18 1h4r s PHE 283 CO 0.35 -0.50 -0.08 0.15 1.83 0.00 0.00 175.22 176.96 1h4r s LYS 284 N 1.52 2.51 0.09 10.12 1.02 -1.26 -0.24 119.74 133.51 1h4r s LYS 284 Ca 0.05 -0.73 -0.15 0.00 0.02 0.00 0.00 55.97 55.15 1h4r s LYS 284 Cb -0.15 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1h4r s LYS 284 CO 0.01 0.60 0.36 -0.59 -0.92 0.00 0.00 175.35 174.81 1h4r s PHE 285 N -0.96 -0.16 0.06 3.18 -0.12 -0.84 -4.12 117.98 115.03 1h4r s PHE 285 Ca 0.16 -0.09 0.04 0.00 -0.05 0.00 0.00 56.93 56.99 1h4r s PHE 285 Cb -0.11 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1h4r s PHE 285 CO 0.06 -0.63 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.80 1h4r s ASN 286 N -2.54 5.00 -0.19 1.98 0.01 0.23 -0.40 114.94 119.04 1h4r s ASN 286 Ca 0.00 -0.14 -0.07 0.00 -0.71 0.00 0.00 52.86 51.93 1h4r s ASN 286 Cb 0.01 -1.21 0.08 0.00 0.41 0.00 0.00 41.25 40.55 1h4r s ASN 286 CO -0.09 0.20 0.42 -0.55 -1.51 0.00 0.00 177.10 175.58 1h4r s SER 287 N -2.08 -0.31 -0.02 -1.22 0.15 0.99 -2.09 113.70 109.11 1h4r s SER 287 Ca 0.24 0.97 -0.06 0.00 0.70 0.00 0.00 55.95 57.80 1h4r s SER 287 Cb -0.12 1.21 -0.29 0.00 -1.71 0.00 0.00 66.02 65.12 1h4r s SER 287 CO 0.16 -0.22 0.76 0.77 1.20 0.00 0.00 173.24 175.90 1h4r h SER 288 N 7.92 0.48 -2.96 5.45 4.64 -1.91 -3.40 113.55 123.79 1h4r h SER 288 Ca -0.21 -0.71 -0.57 0.00 -0.47 0.00 0.00 61.79 59.84 1h4r h SER 288 Cb 1.13 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 1h4r h SER 288 CO 0.16 1.60 1.12 -0.54 -0.87 0.00 0.00 176.83 178.29 1h4r s LYS 289 N -2.60 3.66 0.38 4.77 1.02 -1.26 -4.88 119.74 120.83 1h4r s LYS 289 Ca -0.12 1.34 0.07 0.00 0.02 0.00 0.00 55.97 57.28 1h4r s LYS 289 Cb 0.06 -4.04 0.81 0.00 -0.52 0.00 0.00 37.83 34.14 1h4r s LYS 289 CO 0.85 -1.46 1.98 1.25 -0.92 0.00 0.00 175.35 177.05 1h4r h LEU 290 N 12.12 0.58 -0.96 3.17 5.85 -1.94 -0.24 115.31 133.89 1h4r h LEU 290 Ca -0.31 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 1h4r h LEU 290 Cb 1.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1h4r h LEU 290 CO 1.04 0.38 -0.40 0.08 -0.34 0.00 0.00 178.44 179.19 1h4r h ARG 291 N 0.66 0.23 -0.06 1.25 0.11 -2.00 -1.56 114.38 113.01 1h4r h ARG 291 Ca 0.28 -0.11 -0.11 0.00 0.10 0.00 0.00 59.98 60.14 1h4r h ARG 291 Cb 0.25 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.33 1h4r h ARG 291 CO -0.08 0.60 -0.39 0.28 0.10 0.00 0.00 179.97 180.48 1h4r h VAL 292 N 0.20 1.42 -0.53 0.08 2.07 -1.60 -2.98 116.25 114.91 1h4r h VAL 292 Ca 0.02 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.73 1h4r h VAL 292 Cb 0.80 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1h4r h VAL 292 CO 0.06 0.52 0.32 0.78 0.02 0.00 0.00 177.57 179.28 1h4r h ASN 293 N -0.12 0.62 -0.51 0.57 2.35 -0.84 0.35 115.58 118.00 1h4r h ASN 293 Ca -0.03 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1h4r h ASN 293 Cb 1.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1h4r h ASN 293 CO 0.08 0.47 0.05 0.11 -1.65 0.00 0.00 177.43 176.50 1h4r h LYS 294 N 0.72 0.86 -0.28 0.81 1.57 -1.31 -1.84 116.57 117.11 1h4r h LYS 294 Ca 0.19 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1h4r h LYS 294 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1h4r h LYS 294 CO -0.04 0.87 0.10 1.25 -0.57 0.00 0.00 179.45 181.06 1h4r h LEU 295 N 0.73 0.39 -0.52 2.94 5.85 -1.17 -2.11 115.31 121.43 1h4r h LEU 295 Ca 0.15 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1h4r h LEU 295 Cb 0.44 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1h4r h LEU 295 CO 0.02 0.48 0.15 0.40 -0.34 0.00 0.00 178.44 179.15 1h4r h ILE 296 N 0.29 0.77 -0.42 4.05 2.04 -0.82 -1.38 117.51 122.04 1h4r h ILE 296 Ca 0.09 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1h4r h ILE 296 Cb 0.22 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1h4r h ILE 296 CO -0.00 0.06 0.26 -0.07 0.00 0.00 0.00 178.15 178.39 1h4r h LEU 297 N 0.31 0.43 -0.54 1.44 3.38 -1.05 0.22 115.31 119.50 1h4r h LEU 297 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1h4r h LEU 297 Cb 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1h4r h LEU 297 CO -0.29 0.31 0.35 1.56 0.09 0.00 0.00 178.44 180.46 1h4r h GLN 298 N 0.53 0.72 -0.29 1.13 4.20 -1.00 -0.53 115.11 119.87 1h4r h GLN 298 Ca 0.16 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 1h4r h GLN 298 Cb -0.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1h4r h GLN 298 CO -0.06 0.48 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.24 1h4r h LEU 299 N 0.73 0.58 -0.02 1.46 3.38 -0.77 -1.55 115.31 119.12 1h4r h LEU 299 Ca 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h4r h LEU 299 Cb -0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1h4r h LEU 299 CO -0.04 0.83 -0.00 0.00 0.09 0.00 0.00 178.44 179.31 1h4r h ILE 301 N -0.29 1.09 -0.49 0.00 2.04 -1.02 -0.80 117.51 118.04 1h4r h ILE 301 Ca 0.01 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1h4r h ILE 301 Cb 0.34 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1h4r h ILE 301 CO 0.00 0.09 -0.02 1.23 0.00 0.00 0.00 178.15 179.46 1h4r h GLY 302 N 0.43 0.95 0.90 5.37 0.00 -1.32 -0.81 103.07 108.59 1h4r h GLY 302 Ca 0.12 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1h4r h GLY 302 CO -0.02 0.65 -0.12 3.43 0.00 0.00 0.00 176.54 180.48 1h4r h ASN 303 N 0.74 0.61 -0.51 0.19 2.35 -1.22 -1.27 115.58 116.47 1h4r h ASN 303 Ca 0.14 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1h4r h ASN 303 Cb 0.54 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1h4r h ASN 303 CO 0.03 0.87 0.31 -0.74 -1.65 0.00 0.00 177.43 176.25 1h4r h HIS 304 N 0.35 0.67 -0.57 1.19 2.76 -1.08 -1.46 115.15 117.01 1h4r h HIS 304 Ca 0.07 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1h4r h HIS 304 Cb 0.63 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1h4r h HIS 304 CO 0.06 0.46 0.19 -0.44 -1.30 0.00 0.00 177.93 176.90 1h4r h ASP 305 N 0.68 0.82 -0.21 3.26 5.19 -1.03 -1.85 116.42 123.28 1h4r h ASP 305 Ca 0.18 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1h4r h ASP 305 Cb -0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 1h4r h ASP 305 CO -0.03 0.80 -0.21 -0.07 -3.12 0.00 0.00 179.24 176.60 1h4r h LEU 306 N 0.80 0.67 -0.29 1.55 3.38 -1.02 -1.75 115.31 118.64 1h4r h LEU 306 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h4r h LEU 306 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h4r h LEU 306 CO -0.01 0.88 0.18 0.15 0.09 0.00 0.00 178.44 179.73 1h4r h PHE 307 N 0.59 0.38 -0.20 1.13 3.04 -0.94 -0.29 116.94 120.64 1h4r h PHE 307 Ca 0.09 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1h4r h PHE 307 Cb 0.68 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1h4r h PHE 307 CO 0.03 0.26 0.08 0.52 -2.02 0.00 0.00 178.31 177.19 1h4r h MET 308 N 0.38 0.30 -0.80 1.11 2.86 -1.20 -3.02 114.93 114.55 1h4r h MET 308 Ca 0.11 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1h4r h MET 308 Cb -0.01 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1h4r h MET 308 CO -0.02 0.36 0.53 0.00 1.06 0.00 0.00 176.91 178.84 1h4r h ARG 309 N 0.17 1.06 0.00 1.72 3.08 -1.11 0.42 114.38 119.72 1h4r h ARG 309 Ca 0.07 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1h4r h ARG 309 Cb 0.17 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1h4r h ARG 309 CO -0.01 0.70 -0.05 0.00 -1.07 0.00 0.00 179.97 179.55 1h4r h ARG 310 N 1.09 0.00 -0.53 0.04 3.08 -0.93 -1.53 114.38 115.59 1h4r h ARG 310 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1h4r h ARG 310 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1h4r h ARG 310 CO -0.06 0.05 0.00 0.54 -1.07 0.00 0.00 179.97 179.43 1h4r n ARG 311 N -3.87 4.62 -2.69 0.04 1.74 0.07 -4.95 116.66 111.63 1h4r n ARG 311 Ca -0.03 -3.12 -0.19 0.00 -0.77 0.00 0.00 57.85 53.74 1h4r n ARG 311 Cb 0.14 -2.21 0.01 0.00 -1.02 0.00 0.00 32.46 29.39 1h4r n ARG 311 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1h4r n LYS 312 N 0.46 -3.14 0.00 5.56 4.01 -0.58 -5.05 118.16 119.42 1h4r n LYS 312 Ca 0.27 0.85 0.00 0.00 -0.51 0.00 0.00 58.31 58.92 1h4r n LYS 312 Cb 1.16 -5.46 0.00 0.00 -0.51 0.00 0.00 35.03 30.22 1h4r n LYS 312 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29