#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5p n ASN 2 N 0.00 0.00 0.32 7.83 0.23 -1.26 -4.91 115.26 117.47 1i5p n ASN 2 Ca 0.00 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.21 1i5p n ASN 2 Cb 0.00 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 38.53 1i5p n ASN 2 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1i5p h ASN 3 N 0.00 0.00 0.00 0.53 -0.73 -0.99 -2.18 115.58 112.21 1i5p h ASN 3 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 1i5p h ASN 3 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1i5p h ASN 3 CO 0.00 0.00 -0.11 1.33 -0.37 0.00 0.00 177.43 178.28 1i5p n VAL 4 N -2.96 2.09 -1.90 2.57 0.24 -1.26 -3.29 118.33 113.81 1i5p n VAL 4 Ca -0.01 -0.78 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 1i5p n VAL 4 Cb 0.38 -1.64 -0.03 0.00 -1.47 0.00 0.00 33.84 31.09 1i5p n VAL 4 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1i5p s LEU 5 N 0.00 4.15 0.43 1.34 1.98 -0.82 -4.77 118.68 120.98 1i5p s LEU 5 Ca 0.23 2.16 -0.22 0.00 -2.89 0.00 0.00 54.13 53.41 1i5p s LEU 5 Cb 0.11 -3.53 -0.09 0.00 0.66 0.00 0.00 46.19 43.34 1i5p s LEU 5 CO 0.00 -1.15 1.02 0.20 -1.89 0.00 0.00 176.35 174.53 1i5p s ASN 6 N 4.37 6.69 -0.13 3.68 0.01 -1.26 -0.34 114.94 127.96 1i5p s ASN 6 Ca 0.80 1.93 -0.34 0.00 -0.71 0.00 0.00 52.86 54.54 1i5p s ASN 6 Cb -0.34 -2.57 0.15 0.00 0.41 0.00 0.00 41.25 38.91 1i5p s ASN 6 CO 0.33 -0.54 1.43 -0.94 -1.51 0.00 0.00 177.10 175.87 1i5p s SER 7 N -1.81 -0.00 0.00 -1.22 1.04 -1.25 -4.54 113.70 105.91 1i5p s SER 7 Ca 0.61 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1i5p s SER 7 Cb -0.18 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1i5p s SER 7 CO 0.22 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1i5p n GLY 8 N -0.42 2.48 0.31 7.32 0.00 -0.98 -3.47 105.19 110.43 1i5p n GLY 8 Ca -0.07 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1i5p n GLY 8 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i5p n ARG 9 N -0.62 0.44 0.00 1.61 1.85 -1.26 -4.80 116.66 113.88 1i5p n ARG 9 Ca 0.00 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1i5p n ARG 9 Cb 0.00 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 1i5p n ARG 9 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1i5p n THR 10 N -3.71 0.00 -1.63 8.89 5.66 -1.26 -4.98 114.28 117.25 1i5p n THR 10 Ca -0.39 0.00 -0.58 0.00 -3.05 0.00 0.00 64.05 60.03 1i5p n THR 10 Cb 0.80 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.51 1i5p n THR 10 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i5p n THR 11 N 0.00 0.07 -2.81 1.09 -1.04 -1.26 -4.95 114.28 105.39 1i5p n THR 11 Ca 0.00 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.70 1i5p n THR 11 Cb 0.00 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 1i5p n THR 11 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1i5p s ILE 12 N 1.58 4.81 0.00 12.58 1.01 -1.26 -4.77 121.20 135.15 1i5p s ILE 12 Ca 0.94 0.55 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1i5p s ILE 12 Cb -1.18 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 37.54 1i5p s ILE 12 CO 0.61 -0.58 0.00 0.00 0.00 0.00 0.00 174.94 174.97 1i5p n ASP 14 N 0.00 -6.71 -0.02 0.00 -0.08 -1.26 -4.71 116.55 103.76 1i5p n ASP 14 Ca 0.00 1.27 -0.06 0.00 -1.51 0.00 0.00 54.79 54.50 1i5p n ASP 14 Cb 0.12 -4.35 0.14 0.00 2.34 0.00 0.00 41.12 39.37 1i5p n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i5p h ALA 15 N 0.73 0.96 0.00 -1.67 0.00 -1.99 -3.34 119.26 113.95 1i5p h ALA 15 Ca 0.00 -0.38 -0.62 0.00 0.00 0.00 0.00 54.91 53.91 1i5p h ALA 15 Cb 0.44 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.15 1i5p h ALA 15 CO 0.00 0.61 2.36 0.98 0.00 0.00 0.00 179.25 183.19 1i5p n TYR 16 N -4.09 1.83 0.00 0.00 9.36 -1.26 0.10 117.16 123.10 1i5p n TYR 16 Ca -0.01 -1.85 0.00 0.00 3.32 0.00 0.00 57.90 59.37 1i5p n TYR 16 Cb 0.45 -1.71 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 1i5p n TYR 16 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1i5p n ASN 17 N 7.00 0.00 -0.47 2.98 4.05 -1.25 -4.96 115.26 122.60 1i5p n ASN 17 Ca 0.49 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.52 1i5p n ASN 17 Cb 0.37 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1i5p n ASN 17 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1i5p n VAL 18 N 0.00 0.00 0.15 3.44 0.24 -0.40 -4.97 118.33 116.78 1i5p n VAL 18 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1i5p n VAL 18 Cb 0.00 0.00 0.51 0.00 -1.47 0.00 0.00 33.84 32.88 1i5p n VAL 18 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1i5p h VAL 19 N 4.88 1.08 -3.30 3.34 3.04 0.42 -3.43 116.25 122.28 1i5p h VAL 19 Ca 0.00 -0.26 -0.66 0.00 -1.01 0.00 0.00 66.70 64.77 1i5p h VAL 19 Cb 0.99 0.92 -0.17 0.00 -2.01 0.00 0.00 31.29 31.03 1i5p h VAL 19 CO 0.00 0.09 -0.62 0.00 -1.01 0.00 0.00 177.57 176.03 1i5p s ALA 20 N -5.10 3.25 -0.05 3.17 0.00 -1.26 -4.91 121.76 116.86 1i5p s ALA 20 Ca -0.06 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1i5p s ALA 20 Cb 0.17 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1i5p s ALA 20 CO 0.70 0.42 -0.14 -1.58 0.00 0.00 0.00 175.76 175.17 1i5p s HIS 21 N -0.35 1.49 -0.46 0.00 2.46 -1.26 -5.04 115.29 112.12 1i5p s HIS 21 Ca 0.07 -0.47 -0.21 0.00 0.47 0.00 0.00 55.06 54.92 1i5p s HIS 21 Cb -0.12 -1.05 0.03 0.00 -0.13 0.00 0.00 32.58 31.31 1i5p s HIS 21 CO 0.02 -0.20 0.66 0.34 -2.47 0.00 0.00 174.74 173.09 1i5p s ASP 22 N 0.32 6.30 0.00 9.88 2.15 -1.26 -4.91 116.67 129.15 1i5p s ASP 22 Ca -0.08 -0.46 0.10 0.00 0.43 0.00 0.00 52.55 52.54 1i5p s ASP 22 Cb -0.13 -2.32 0.52 0.00 -0.30 0.00 0.00 42.92 40.69 1i5p s ASP 22 CO 0.03 -0.83 1.23 -0.81 -0.17 0.00 0.00 175.17 174.62 1i5p n PRO 23 N 6.33 0.13 -1.30 4.34 -0.04 -1.26 -2.07 135.00 141.13 1i5p n PRO 23 Ca -0.02 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1i5p n PRO 23 Cb 0.47 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1i5p n PRO 23 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i5p n PHE 24 N -1.30 0.57 -0.24 0.54 3.01 -1.26 -2.70 117.46 116.07 1i5p n PHE 24 Ca 0.05 -1.40 0.01 0.00 1.01 0.00 0.00 57.45 57.12 1i5p n PHE 24 Cb 0.09 -0.23 0.13 0.00 -0.01 0.00 0.00 39.48 39.45 1i5p n PHE 24 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1i5p h SER 25 N 1.35 0.44 -0.03 4.37 4.64 -1.81 0.19 113.55 122.70 1i5p h SER 25 Ca -0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1i5p h SER 25 Cb 1.37 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1i5p h SER 25 CO 0.17 0.25 0.01 0.15 -0.87 0.00 0.00 176.83 176.54 1i5p h PHE 26 N 0.58 0.02 -0.05 4.77 3.57 -1.89 -1.29 116.94 122.64 1i5p h PHE 26 Ca 0.34 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1i5p h PHE 26 Cb 0.36 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1i5p h PHE 26 CO -0.11 0.01 -0.07 0.93 -2.23 0.00 0.00 178.31 176.83 1i5p h GLU 27 N 0.02 0.08 -0.00 1.11 3.07 -1.79 -2.12 114.58 114.96 1i5p h GLU 27 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1i5p h GLU 27 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1i5p h GLU 27 CO -0.01 0.16 -0.19 0.72 -1.40 0.00 0.00 179.01 178.29 1i5p n HIS 28 N -4.41 0.00 -3.16 4.33 8.25 -0.00 -4.86 115.22 115.37 1i5p n HIS 28 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1i5p n HIS 28 Cb 0.18 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 1i5p n HIS 28 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1i5p s LYS 29 N -2.69 4.27 0.61 -0.41 1.02 -0.54 -5.06 119.74 116.94 1i5p s LYS 29 Ca 0.22 0.84 -0.10 0.00 0.02 0.00 0.00 55.97 56.95 1i5p s LYS 29 Cb 0.19 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1i5p s LYS 29 CO 0.54 0.50 1.00 -1.54 -0.92 0.00 0.00 175.35 174.94 1i5p s SER 30 N -1.42 6.11 0.25 2.83 1.04 -1.26 -4.93 113.70 116.31 1i5p s SER 30 Ca 0.37 1.30 -0.03 0.00 0.48 0.00 0.00 55.95 58.07 1i5p s SER 30 Cb -0.18 -2.34 0.30 0.00 0.10 0.00 0.00 66.02 63.89 1i5p s SER 30 CO 0.21 -0.90 1.74 0.25 0.98 0.00 0.00 173.24 175.52 1i5p h LEU 31 N -0.29 0.78 -0.76 2.42 5.85 -1.97 -1.97 115.31 119.36 1i5p h LEU 31 Ca -0.45 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1i5p h LEU 31 Cb 1.20 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1i5p h LEU 31 CO 0.62 0.86 0.50 -0.78 -0.34 0.00 0.00 178.44 179.30 1i5p h ASP 32 N 0.74 0.85 -0.42 1.25 3.58 -1.99 0.34 116.42 120.78 1i5p h ASP 32 Ca 0.14 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1i5p h ASP 32 Cb 0.49 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1i5p h ASP 32 CO 0.02 0.61 0.12 0.74 -2.88 0.00 0.00 179.24 177.86 1i5p h THR 33 N 1.01 1.22 -0.55 2.25 2.02 -1.87 -1.14 112.91 115.84 1i5p h THR 33 Ca 0.28 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1i5p h THR 33 Cb -0.08 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1i5p h THR 33 CO -0.07 0.26 0.23 0.40 0.37 0.00 0.00 175.52 176.71 1i5p h ILE 34 N 0.53 1.22 -0.75 3.11 2.04 -0.78 -0.62 117.51 122.26 1i5p h ILE 34 Ca 0.13 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1i5p h ILE 34 Cb 0.27 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1i5p h ILE 34 CO -0.00 0.26 0.46 -0.61 0.00 0.00 0.00 178.15 178.25 1i5p h GLN 35 N 0.75 1.02 -0.71 2.37 4.15 -0.17 -1.49 115.11 121.02 1i5p h GLN 35 Ca 0.19 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 1i5p h GLN 35 Cb 0.19 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1i5p h GLN 35 CO -0.02 0.72 0.18 0.87 -1.93 0.00 0.00 178.83 178.65 1i5p h LYS 36 N 1.03 1.14 -0.65 1.69 1.57 -0.82 -1.11 116.57 119.42 1i5p h LYS 36 Ca 0.27 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1i5p h LYS 36 Cb -0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1i5p h LYS 36 CO -0.05 1.00 0.19 0.93 -0.57 0.00 0.00 179.45 180.95 1i5p h GLU 37 N 1.08 1.01 -0.38 3.15 5.08 -0.65 0.63 114.58 124.50 1i5p h GLU 37 Ca 0.22 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1i5p h GLU 37 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1i5p h GLU 37 CO 0.00 0.90 -0.27 -1.49 -1.00 0.00 0.00 179.01 177.15 1i5p h TRP 38 N 0.94 0.90 -0.53 4.33 4.06 -1.11 0.11 115.95 124.65 1i5p h TRP 38 Ca 0.21 -0.22 -0.05 0.00 2.06 0.00 0.00 58.89 60.89 1i5p h TRP 38 Cb 0.31 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1i5p h TRP 38 CO 0.02 0.96 0.16 0.52 -3.56 0.00 0.00 178.44 176.54 1i5p h MET 39 N 0.67 0.83 -0.47 0.49 2.86 -0.90 -0.48 114.93 117.93 1i5p h MET 39 Ca 0.08 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1i5p h MET 39 Cb 0.79 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1i5p h MET 39 CO 0.07 0.77 -0.17 0.93 1.06 0.00 0.00 176.91 179.57 1i5p h GLU 40 N 0.73 0.91 -0.39 1.72 4.39 -0.66 -2.19 114.58 119.09 1i5p h GLU 40 Ca 0.17 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 59.57 1i5p h GLU 40 Cb 0.30 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1i5p h GLU 40 CO -0.00 1.00 0.13 2.35 -1.16 0.00 0.00 179.01 181.33 1i5p h TRP 41 N 0.80 0.23 -0.46 4.33 7.01 -0.45 -0.90 115.95 126.50 1i5p h TRP 41 Ca 0.12 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.18 1i5p h TRP 41 Cb 0.71 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 1i5p h TRP 41 CO 0.04 0.08 0.23 -0.22 -2.79 0.00 0.00 178.44 175.79 1i5p h LYS 42 N 0.28 0.45 -0.42 2.65 1.63 -0.76 0.38 116.57 120.79 1i5p h LYS 42 Ca 0.18 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1i5p h LYS 42 Cb 0.17 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1i5p h LYS 42 CO -0.19 0.30 0.03 -0.09 -3.45 0.00 0.00 179.45 176.05 1i5p h ARG 43 N 0.46 0.71 0.00 1.90 2.43 -0.86 -3.38 114.38 115.65 1i5p h ARG 43 Ca 0.20 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1i5p h ARG 43 Cb 0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1i5p h ARG 43 CO -0.14 0.78 -1.59 0.25 -1.51 0.00 0.00 179.97 177.76 1i5p n THR 44 N -4.46 0.00 -3.50 0.20 -2.24 -0.39 -5.06 114.28 98.83 1i5p n THR 44 Ca -0.00 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1i5p n THR 44 Cb 0.27 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1i5p n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1i5p s ASP 45 N -3.49 4.93 -0.93 3.42 1.01 0.13 -5.02 116.67 116.72 1i5p s ASP 45 Ca -0.05 -0.96 -0.24 0.00 0.71 0.00 0.00 52.55 52.02 1i5p s ASP 45 Cb 0.08 0.07 0.03 0.00 1.01 0.00 0.00 42.92 44.11 1i5p s ASP 45 CO 0.54 -1.04 1.52 -2.28 0.21 0.00 0.00 175.17 174.12 1i5p s HIS 46 N -2.64 2.32 0.49 4.23 5.65 -1.26 -4.77 115.29 119.31 1i5p s HIS 46 Ca 0.47 -0.38 -0.04 0.00 0.25 0.00 0.00 55.06 55.35 1i5p s HIS 46 Cb -0.04 -4.55 -0.03 0.00 -1.18 0.00 0.00 32.58 26.79 1i5p s HIS 46 CO 0.29 -1.95 0.78 -1.54 -0.65 0.00 0.00 174.74 171.67 1i5p s SER 47 N 5.43 6.11 -0.61 9.88 1.04 -1.26 -4.82 113.70 129.46 1i5p s SER 47 Ca 0.49 0.80 -0.01 0.00 0.48 0.00 0.00 55.95 57.72 1i5p s SER 47 Cb -0.03 -2.08 0.47 0.00 0.10 0.00 0.00 66.02 64.48 1i5p s SER 47 CO -0.03 -0.65 1.94 0.18 0.98 0.00 0.00 173.24 175.66 1i5p n LEU 48 N -2.27 7.33 -0.32 2.42 4.32 -1.26 -4.66 117.00 122.56 1i5p n LEU 48 Ca 0.01 -4.28 -0.04 0.00 -0.02 0.00 0.00 56.01 51.68 1i5p n LEU 48 Cb 0.56 -0.90 -0.02 0.00 -1.62 0.00 0.00 43.42 41.44 1i5p n LEU 48 CO 0.52 1.50 -0.04 -1.22 -1.22 0.00 0.00 177.39 176.93 1i5p n TYR 49 N -0.92 0.00 -2.55 -1.77 4.02 -1.26 -4.90 117.16 109.78 1i5p n TYR 49 Ca 0.61 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 58.08 1i5p n TYR 49 Cb 0.77 -1.14 -0.03 0.00 -0.02 0.00 0.00 39.34 38.92 1i5p n TYR 49 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1i5p s VAL 50 N -2.03 4.31 -0.14 -0.72 1.01 -1.26 -4.61 120.40 116.97 1i5p s VAL 50 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 1i5p s VAL 50 Cb 0.00 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1i5p s VAL 50 CO 0.00 0.17 1.24 0.00 0.00 0.00 0.00 175.10 176.50 1i5p s ALA 51 N 0.77 3.62 0.53 5.51 0.00 -1.26 -4.91 121.76 126.02 1i5p s ALA 51 Ca 0.54 0.49 0.32 0.00 0.00 0.00 0.00 51.96 53.31 1i5p s ALA 51 Cb -0.26 -3.59 1.48 0.00 0.00 0.00 0.00 23.12 20.75 1i5p s ALA 51 CO 0.30 -1.06 1.88 -1.00 0.00 0.00 0.00 175.76 175.88 1i5p h PRO 52 N 7.97 0.01 -0.34 0.00 0.13 -1.94 -1.49 132.00 136.35 1i5p h PRO 52 Ca -0.28 -0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.95 1i5p h PRO 52 Cb 1.12 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1i5p h PRO 52 CO 0.95 0.01 0.25 -0.24 -0.23 0.00 0.00 178.00 178.73 1i5p h VAL 53 N 0.01 0.82 -0.55 1.56 3.04 -1.93 -0.57 116.25 118.64 1i5p h VAL 53 Ca 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.11 1i5p h VAL 53 Cb 1.76 0.83 -0.03 0.00 -2.01 0.00 0.00 31.29 31.84 1i5p h VAL 53 CO -0.01 0.00 0.25 -0.37 -1.01 0.00 0.00 177.57 176.43 1i5p h VAL 54 N 0.00 1.19 -0.44 1.51 -1.51 -1.61 0.88 116.25 116.28 1i5p h VAL 54 Ca 0.16 -0.56 -0.14 0.00 -1.23 0.00 0.00 66.70 64.93 1i5p h VAL 54 Cb 0.65 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 1i5p h VAL 54 CO -0.00 0.23 -0.27 1.23 -1.23 0.00 0.00 177.57 177.53 1i5p h GLY 55 N 0.90 1.04 0.84 5.19 0.00 -1.28 -1.70 103.07 108.06 1i5p h GLY 55 Ca 0.19 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1i5p h GLY 55 CO -0.02 0.88 0.04 -0.84 0.00 0.00 0.00 176.54 176.60 1i5p h THR 56 N 0.79 1.22 -0.32 4.70 2.02 -1.10 -1.52 112.91 118.69 1i5p h THR 56 Ca 0.09 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1i5p h THR 56 Cb 0.86 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1i5p h THR 56 CO 0.08 0.22 0.20 0.58 0.37 0.00 0.00 175.52 176.96 1i5p h VAL 57 N 0.12 1.11 -0.53 3.16 2.07 -0.81 0.14 116.25 121.52 1i5p h VAL 57 Ca 0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1i5p h VAL 57 Cb 0.29 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1i5p h VAL 57 CO 0.00 0.11 0.24 0.77 0.02 0.00 0.00 177.57 178.72 1i5p h SER 58 N 0.42 0.70 -0.79 0.57 4.64 -1.29 0.10 113.55 117.91 1i5p h SER 58 Ca 0.12 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1i5p h SER 58 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 1i5p h SER 58 CO -0.02 0.65 0.52 0.28 -0.87 0.00 0.00 176.83 177.39 1i5p h SER 59 N 0.71 0.90 -0.11 4.97 0.02 -0.97 -0.19 113.55 118.88 1i5p h SER 59 Ca 0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1i5p h SER 59 Cb 0.14 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1i5p h SER 59 CO -0.02 0.66 0.07 0.15 -1.14 0.00 0.00 176.83 176.55 1i5p h PHE 60 N 1.07 0.14 -0.66 3.45 3.57 -0.09 -1.63 116.94 122.79 1i5p h PHE 60 Ca 0.29 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1i5p h PHE 60 Cb -0.12 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1i5p h PHE 60 CO -0.02 0.09 0.21 -0.07 -2.23 0.00 0.00 178.31 176.30 1i5p h LEU 61 N 0.15 0.95 -0.80 0.59 3.38 -0.39 -1.43 115.31 117.76 1i5p h LEU 61 Ca 0.04 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1i5p h LEU 61 Cb -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 1i5p h LEU 61 CO -0.01 0.90 0.48 -0.07 0.09 0.00 0.00 178.44 179.83 1i5p h LEU 62 N 0.95 0.73 -0.88 1.67 3.38 -0.82 -1.66 115.31 118.67 1i5p h LEU 62 Ca 0.21 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1i5p h LEU 62 Cb 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1i5p h LEU 62 CO -0.01 0.45 -0.53 0.11 0.09 0.00 0.00 178.44 178.55 1i5p h LYS 63 N 0.85 0.07 -0.24 1.13 1.57 -0.85 0.55 116.57 119.65 1i5p h LYS 63 Ca 0.36 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 1i5p h LYS 63 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1i5p h LYS 63 CO -0.19 0.58 -0.11 0.87 -0.57 0.00 0.00 179.45 180.03 1i5p h LYS 64 N 0.05 0.50 -0.03 3.15 1.79 -0.54 -2.89 116.57 118.61 1i5p h LYS 64 Ca -0.00 -0.22 -0.14 0.00 -2.18 0.00 0.00 60.65 58.11 1i5p h LYS 64 Cb 0.96 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.58 1i5p h LYS 64 CO 0.07 0.76 -0.63 0.28 -1.08 0.00 0.00 179.45 178.85 1i5p h VAL 65 N 0.23 1.43 0.00 0.50 2.07 -1.28 -3.14 116.25 116.06 1i5p h VAL 65 Ca 0.06 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1i5p h VAL 65 Cb 0.61 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1i5p h VAL 65 CO 0.03 0.61 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1i5p n GLY 66 N 0.31 -0.96 2.92 2.17 0.00 0.18 -0.55 105.19 109.27 1i5p n GLY 66 Ca -0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1i5p n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i5p s SER 67 N -2.31 -0.08 0.63 1.61 0.15 -1.10 -4.14 113.70 108.46 1i5p s SER 67 Ca 0.30 0.23 0.34 0.00 0.70 0.00 0.00 55.95 57.52 1i5p s SER 67 Cb 0.17 0.16 1.94 0.00 -1.71 0.00 0.00 66.02 66.58 1i5p s SER 67 CO 0.34 -0.11 2.19 0.25 1.20 0.00 0.00 173.24 177.11 1i5p h LEU 68 N 6.82 0.00 -1.14 3.45 5.85 -1.85 -0.06 115.31 128.37 1i5p h LEU 68 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1i5p h LEU 68 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1i5p h LEU 68 CO 0.44 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.25 1i5p h ILE 69 N 0.00 0.00 0.00 4.05 2.10 -1.95 -3.34 117.51 118.37 1i5p h ILE 69 Ca 0.03 -0.37 -0.41 0.00 1.08 0.00 0.00 64.86 65.19 1i5p h ILE 69 Cb 0.28 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 37.23 1i5p h ILE 69 CO -0.00 0.00 1.65 0.61 -1.08 0.00 0.00 178.15 179.33 1i5p n GLY 70 N -0.02 3.53 0.14 8.18 0.00 -0.04 -4.52 105.19 112.47 1i5p n GLY 70 Ca 0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 1i5p n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5p h LYS 71 N 4.07 0.00 -4.63 1.61 1.79 -1.84 -3.43 116.57 114.15 1i5p h LYS 71 Ca 0.51 -0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.39 1i5p h LYS 71 Cb 0.89 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.18 1i5p h LYS 71 CO 0.98 0.62 -0.83 0.50 -1.08 0.00 0.00 179.45 179.64 1i5p s ARG 72 N -3.62 2.19 -0.22 3.15 3.52 -1.26 -4.61 118.95 118.10 1i5p s ARG 72 Ca -0.01 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1i5p s ARG 72 Cb 0.13 -2.00 -0.10 0.00 -1.56 0.00 0.00 34.95 31.42 1i5p s ARG 72 CO 0.76 -0.21 -0.26 -0.89 -0.81 0.00 0.00 175.30 173.89 1i5p n ILE 73 N 4.69 1.19 -0.30 4.11 5.41 -1.26 -4.76 119.36 128.43 1i5p n ILE 73 Ca -0.17 -0.33 0.13 0.00 1.00 0.00 0.00 62.75 63.39 1i5p n ILE 73 Cb 0.50 -1.70 0.29 0.00 -0.71 0.00 0.00 39.64 38.02 1i5p n ILE 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1i5p h LEU 74 N -0.65 -0.06 -0.10 1.39 5.85 -1.93 -0.29 115.31 119.53 1i5p h LEU 74 Ca -0.54 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1i5p h LEU 74 Cb 1.52 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 1i5p h LEU 74 CO -0.29 -0.18 0.04 -1.28 -0.34 0.00 0.00 178.44 176.39 1i5p h SER 75 N 0.18 0.13 0.18 1.25 0.87 -1.96 -1.20 113.55 113.00 1i5p h SER 75 Ca 0.55 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.79 1i5p h SER 75 Cb 1.12 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 1i5p h SER 75 CO -0.68 0.24 -0.66 -0.33 -0.53 0.00 0.00 176.83 174.87 1i5p h GLU 76 N 0.01 0.45 -0.31 2.24 5.08 -1.76 -2.93 114.58 117.36 1i5p h GLU 76 Ca 0.03 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1i5p h GLU 76 Cb 0.15 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1i5p h GLU 76 CO -0.00 0.95 0.13 1.25 -1.00 0.00 0.00 179.01 180.34 1i5p h LEU 77 N 0.32 0.16 -0.98 1.33 5.85 -0.95 -1.58 115.31 119.47 1i5p h LEU 77 Ca -0.02 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1i5p h LEU 77 Cb 1.22 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 1i5p h LEU 77 CO 0.12 0.13 0.61 -0.25 -0.34 0.00 0.00 178.44 178.71 1i5p h TRP 78 N 0.28 1.10 0.00 1.25 7.01 -1.17 -0.28 115.95 124.14 1i5p h TRP 78 Ca 0.13 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1i5p h TRP 78 Cb 0.08 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1i5p h TRP 78 CO -0.12 0.44 0.00 0.78 -2.79 0.00 0.00 178.44 176.75 1i5p h GLY 79 N 0.97 0.00 0.00 2.65 0.00 -1.11 0.41 103.07 106.00 1i5p h GLY 79 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.51 1i5p h GLY 79 CO -0.26 0.00 -1.71 1.39 0.00 0.00 0.00 176.54 175.96 1i5p n ILE 80 N -2.77 1.53 0.20 2.60 5.41 -0.22 -3.78 119.36 122.31 1i5p n ILE 80 Ca 0.00 -0.15 0.08 0.00 1.00 0.00 0.00 62.75 63.69 1i5p n ILE 80 Cb 0.23 -2.01 0.22 0.00 -0.71 0.00 0.00 39.64 37.37 1i5p n ILE 80 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1i5p h ILE 81 N -1.00 0.44 -2.12 1.39 6.09 -1.30 -3.33 117.51 117.68 1i5p h ILE 81 Ca -0.46 -1.44 -0.57 0.00 -1.37 0.00 0.00 64.86 61.03 1i5p h ILE 81 Cb 1.37 2.07 -0.41 0.00 0.47 0.00 0.00 36.82 40.32 1i5p h ILE 81 CO -0.28 0.23 -0.85 0.49 -3.07 0.00 0.00 178.15 174.67 1i5p n PHE 82 N -3.21 1.92 -1.47 2.19 3.01 0.13 -4.44 117.46 115.60 1i5p n PHE 82 Ca 0.02 -3.89 -0.50 0.00 1.01 0.00 0.00 57.45 54.09 1i5p n PHE 82 Cb 0.57 -0.46 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 1i5p n PHE 82 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1i5p n PRO 83 N 0.77 1.20 -2.37 -1.08 -0.04 -1.25 -0.69 135.00 131.54 1i5p n PRO 83 Ca 0.27 0.33 -0.21 0.00 -0.04 0.00 0.00 63.50 63.85 1i5p n PRO 83 Cb 0.48 -2.55 -0.01 0.00 -0.04 0.00 0.00 33.50 31.38 1i5p n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1i5p n SER 84 N 9.89 -5.86 0.00 3.54 7.64 -1.26 -1.70 113.62 125.87 1i5p n SER 84 Ca 0.39 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1i5p n SER 84 Cb 0.25 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1i5p n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i5p n GLY 85 N -0.99 0.81 3.76 0.23 0.00 0.13 -5.04 105.19 104.09 1i5p n GLY 85 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1i5p n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i5p s SER 86 N -2.88 7.53 0.00 1.61 0.15 -0.69 -4.96 113.70 114.47 1i5p s SER 86 Ca 0.00 1.90 0.22 0.00 0.70 0.00 0.00 55.95 58.77 1i5p s SER 86 Cb 0.00 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.24 1i5p s SER 86 CO 0.00 0.08 1.45 0.35 1.20 0.00 0.00 173.24 176.32 1i5p n THR 87 N 1.15 0.63 -0.22 6.45 -2.24 -1.26 -3.84 114.28 114.95 1i5p n THR 87 Ca -0.01 -0.76 0.02 0.00 -2.27 0.00 0.00 64.05 61.03 1i5p n THR 87 Cb 0.48 0.70 0.27 0.00 -2.10 0.00 0.00 70.33 69.68 1i5p n THR 87 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i5p h ASN 88 N 4.01 0.82 -0.03 3.42 -1.07 -1.92 -0.13 115.58 120.68 1i5p h ASN 88 Ca 0.00 -0.01 -0.13 0.00 0.07 0.00 0.00 56.30 56.23 1i5p h ASN 88 Cb 0.90 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.94 1i5p h ASN 88 CO 0.00 0.58 -0.40 -0.07 0.07 0.00 0.00 177.43 177.60 1i5p h LEU 89 N 0.96 0.58 -0.25 6.14 3.38 -1.82 0.13 115.31 124.42 1i5p h LEU 89 Ca 0.30 -0.26 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 1i5p h LEU 89 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1i5p h LEU 89 CO -0.08 0.92 -0.63 0.24 0.09 0.00 0.00 178.44 178.98 1i5p h MET 90 N 0.45 0.85 -0.68 1.13 2.86 -1.68 -1.75 114.93 116.11 1i5p h MET 90 Ca 0.04 -0.59 -0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1i5p h MET 90 Cb 0.90 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 1i5p h MET 90 CO 0.08 1.21 0.27 1.96 1.06 0.00 0.00 176.91 181.49 1i5p h GLN 91 N 0.63 1.01 -0.25 1.72 4.20 -0.82 -2.37 115.11 119.24 1i5p h GLN 91 Ca -0.01 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.40 1i5p h GLN 91 Cb 1.25 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1i5p h GLN 91 CO 0.14 0.83 -0.36 0.22 -0.67 0.00 0.00 178.83 178.98 1i5p h ASP 92 N 0.99 0.57 -0.31 1.46 3.58 -0.85 -1.57 116.42 120.30 1i5p h ASP 92 Ca 0.23 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1i5p h ASP 92 Cb 0.20 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1i5p h ASP 92 CO -0.02 0.89 0.20 0.40 -2.88 0.00 0.00 179.24 177.82 1i5p h ILE 93 N 0.46 1.06 -0.30 2.25 2.04 -0.86 0.25 117.51 122.41 1i5p h ILE 93 Ca 0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1i5p h ILE 93 Cb 0.85 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1i5p h ILE 93 CO 0.07 0.07 0.16 0.25 0.00 0.00 0.00 178.15 178.70 1i5p h LEU 94 N 0.40 0.38 -0.72 1.44 5.85 -1.26 -0.59 115.31 120.81 1i5p h LEU 94 Ca 0.12 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1i5p h LEU 94 Cb -0.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1i5p h LEU 94 CO -0.03 0.36 -0.32 0.03 -0.34 0.00 0.00 178.44 178.14 1i5p h ARG 95 N 0.36 0.63 0.00 1.25 2.47 -0.98 -0.03 114.38 118.09 1i5p h ARG 95 Ca 0.10 -0.28 -0.10 0.00 -1.26 0.00 0.00 59.98 58.44 1i5p h ARG 95 Cb 0.07 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1i5p h ARG 95 CO -0.02 0.87 -0.48 0.93 0.56 0.00 0.00 179.97 181.83 1i5p h GLU 96 N 0.54 0.00 -0.25 0.04 5.08 -0.41 -1.62 114.58 117.95 1i5p h GLU 96 Ca 0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1i5p h GLU 96 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1i5p h GLU 96 CO 0.07 0.48 -0.57 1.15 -1.00 0.00 0.00 179.01 179.13 1i5p h THR 97 N 0.00 1.28 -0.64 1.13 2.02 -0.76 -0.23 112.91 115.72 1i5p h THR 97 Ca -0.00 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 1i5p h THR 97 Cb 1.09 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 1i5p h THR 97 CO 0.06 0.57 0.34 -0.33 0.37 0.00 0.00 175.52 176.54 1i5p h GLU 98 N 0.61 0.90 -0.48 6.66 5.08 -0.74 -0.19 114.58 126.40 1i5p h GLU 98 Ca 0.01 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1i5p h GLU 98 Cb 1.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1i5p h GLU 98 CO 0.12 0.68 -0.13 0.37 -1.00 0.00 0.00 179.01 179.05 1i5p h GLN 99 N 0.87 0.94 -0.23 2.33 4.15 -1.16 0.13 115.11 122.14 1i5p h GLN 99 Ca 0.22 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1i5p h GLN 99 Cb 0.06 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1i5p h GLN 99 CO -0.03 1.03 0.06 0.35 -1.93 0.00 0.00 178.83 178.31 1i5p h PHE 100 N 0.79 0.39 0.00 3.99 3.57 -0.69 -3.14 116.94 121.85 1i5p h PHE 100 Ca 0.12 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1i5p h PHE 100 Cb 0.69 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1i5p h PHE 100 CO 0.05 0.46 -0.37 1.28 -2.23 0.00 0.00 178.31 177.50 1i5p n LEU 101 N -4.74 0.63 -2.74 0.59 4.77 -0.11 -4.93 117.00 110.47 1i5p n LEU 101 Ca -0.03 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 56.08 1i5p n LEU 101 Cb 0.17 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1i5p n LEU 101 CO 0.36 -0.06 0.10 -3.20 -1.33 0.00 0.00 177.39 173.27 1i5p n ASN 102 N -2.00 -5.40 -4.23 -1.43 5.15 0.38 -5.01 115.26 102.71 1i5p n ASN 102 Ca 0.05 -0.34 -0.24 0.00 -0.60 0.00 0.00 54.58 53.45 1i5p n ASN 102 Cb 0.41 -4.12 -0.14 0.00 -0.53 0.00 0.00 39.78 35.40 1i5p n ASN 102 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i5p s GLN 103 N -5.78 1.27 0.04 1.20 -0.21 -0.85 -5.04 119.66 110.29 1i5p s GLN 103 Ca 0.36 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.88 1i5p s GLN 103 Cb -0.16 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.46 1i5p s GLN 103 CO 0.45 0.35 -0.13 1.03 -2.12 0.00 0.00 175.29 174.87 1i5p s ARG 104 N -1.21 0.86 0.55 2.91 0.52 -1.26 -4.33 118.95 116.99 1i5p s ARG 104 Ca 0.06 -0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 1i5p s ARG 104 Cb -0.09 -0.84 -0.06 0.00 0.52 0.00 0.00 34.95 34.48 1i5p s ARG 104 CO 0.02 0.21 1.01 -0.51 0.02 0.00 0.00 175.30 176.04 1i5p s LEU 105 N -1.15 3.52 0.83 2.53 1.43 -1.26 -5.04 118.68 119.54 1i5p s LEU 105 Ca 0.00 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1i5p s LEU 105 Cb -0.08 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.73 1i5p s LEU 105 CO 0.01 -0.77 1.16 0.54 0.23 0.00 0.00 176.35 177.52 1i5p s ASN 106 N -3.23 4.25 0.33 2.29 2.20 -1.26 -4.83 114.94 114.69 1i5p s ASN 106 Ca 0.59 0.88 0.02 0.00 -0.94 0.00 0.00 52.86 53.40 1i5p s ASN 106 Cb -0.11 -1.42 0.59 0.00 -2.00 0.00 0.00 41.25 38.30 1i5p s ASN 106 CO 0.37 -2.08 1.96 0.00 -2.94 0.00 0.00 177.10 174.41 1i5p h THR 107 N -1.17 1.11 -0.12 0.54 1.03 -1.99 -2.01 112.91 110.30 1i5p h THR 107 Ca -0.47 -0.32 -0.02 0.00 -0.01 0.00 0.00 66.41 65.59 1i5p h THR 107 Cb 1.32 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1i5p h THR 107 CO 0.64 0.17 0.01 0.44 -0.01 0.00 0.00 175.52 176.78 1i5p h ASP 108 N 0.94 0.19 -0.56 0.00 3.45 -2.00 -2.22 116.42 116.23 1i5p h ASP 108 Ca 0.31 -0.28 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1i5p h ASP 108 Cb 0.06 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1i5p h ASP 108 CO -0.09 0.42 0.06 0.74 -1.57 0.00 0.00 179.24 178.80 1i5p h THR 109 N -0.05 1.26 -0.15 0.35 2.02 -1.91 -1.90 112.91 112.54 1i5p h THR 109 Ca 0.03 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 66.24 1i5p h THR 109 Cb 0.32 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1i5p h THR 109 CO 0.00 0.37 -0.20 0.25 0.37 0.00 0.00 175.52 176.32 1i5p h LEU 110 N 0.84 -0.62 -0.29 2.58 5.85 -1.32 0.31 115.31 122.66 1i5p h LEU 110 Ca 0.17 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1i5p h LEU 110 Cb 0.46 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1i5p h LEU 110 CO 0.02 -0.25 0.11 0.00 -0.34 0.00 0.00 178.44 177.98 1i5p h ALA 111 N 0.78 0.33 -0.43 1.25 0.00 -1.24 -0.84 119.26 119.11 1i5p h ALA 111 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1i5p h ALA 111 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1i5p h ALA 111 CO -0.29 -0.29 0.17 -0.09 0.00 0.00 0.00 179.25 178.75 1i5p h ARG 112 N 0.24 0.65 -0.31 0.00 9.65 -0.76 -1.65 114.38 122.20 1i5p h ARG 112 Ca 0.13 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1i5p h ARG 112 Cb 0.09 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1i5p h ARG 112 CO -0.12 0.60 0.09 0.28 2.80 0.00 0.00 179.97 183.62 1i5p h VAL 113 N 0.56 0.89 -0.74 0.20 2.07 -0.16 0.25 116.25 119.32 1i5p h VAL 113 Ca 0.14 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1i5p h VAL 113 Cb 0.19 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1i5p h VAL 113 CO -0.01 0.04 0.49 0.78 0.02 0.00 0.00 177.57 178.89 1i5p h ASN 114 N 0.21 0.82 -0.19 0.57 2.35 -0.91 0.51 115.58 118.94 1i5p h ASN 114 Ca 0.14 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1i5p h ASN 114 Cb 0.13 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1i5p h ASN 114 CO -0.16 0.59 -0.40 0.00 -1.65 0.00 0.00 177.43 175.81 1i5p h ALA 115 N 1.55 0.73 -0.13 -0.83 0.00 -0.61 -2.61 119.26 117.36 1i5p h ALA 115 Ca 0.28 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1i5p h ALA 115 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1i5p h ALA 115 CO -0.07 0.66 -0.38 0.93 0.00 0.00 0.00 179.25 180.40 1i5p h GLU 116 N 0.60 0.27 -0.54 0.00 4.39 -0.07 -0.86 114.58 118.37 1i5p h GLU 116 Ca 0.05 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 1i5p h GLU 116 Cb 0.94 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1i5p h GLU 116 CO 0.09 0.61 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.36 1i5p h LEU 117 N 0.23 1.04 -0.36 1.33 3.38 -0.75 0.07 115.31 120.26 1i5p h LEU 117 Ca 0.03 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1i5p h LEU 117 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1i5p h LEU 117 CO 0.06 1.16 0.03 0.40 0.09 0.00 0.00 178.44 180.18 1i5p h ILE 118 N 0.91 1.25 -0.51 1.22 2.04 -1.21 -2.01 117.51 119.21 1i5p h ILE 118 Ca 0.14 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 1i5p h ILE 118 Cb 0.69 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1i5p h ILE 118 CO 0.05 0.30 -0.05 1.23 0.00 0.00 0.00 178.15 179.68 1i5p h GLY 119 N 0.44 1.01 0.97 5.37 0.00 -1.00 -1.39 103.07 108.48 1i5p h GLY 119 Ca 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1i5p h GLY 119 CO 0.01 0.72 -0.10 -2.00 0.00 0.00 0.00 176.54 175.17 1i5p h LEU 120 N 0.79 -0.24 -0.42 3.11 5.85 -0.95 0.23 115.31 123.67 1i5p h LEU 120 Ca 0.14 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1i5p h LEU 120 Cb 0.59 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1i5p h LEU 120 CO 0.04 -0.17 0.09 -0.61 -0.34 0.00 0.00 178.44 177.45 1i5p h GLN 121 N -0.27 0.21 0.27 1.25 -0.00 -1.28 -1.22 115.11 114.08 1i5p h GLN 121 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 1i5p h GLN 121 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.65 1i5p h GLN 121 CO 0.03 0.14 -0.13 0.00 0.00 0.00 0.00 178.83 178.87 1i5p h ALA 122 N 1.32 -0.36 -0.70 3.38 0.00 -0.94 -2.05 119.26 119.91 1i5p h ALA 122 Ca 0.20 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1i5p h ALA 122 Cb 0.25 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1i5p h ALA 122 CO -0.26 -0.59 0.38 -0.91 0.00 0.00 0.00 179.25 177.86 1i5p h ASN 123 N -0.58 0.53 -0.57 0.00 -0.26 -0.44 0.30 115.58 114.56 1i5p h ASN 123 Ca -0.04 0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.65 1i5p h ASN 123 Cb 0.42 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1i5p h ASN 123 CO 0.06 0.33 -0.03 0.40 -1.06 0.00 0.00 177.43 177.13 1i5p h ILE 124 N 0.67 1.27 -0.59 2.81 2.04 -1.23 -1.28 117.51 121.20 1i5p h ILE 124 Ca 0.33 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 1i5p h ILE 124 Cb 0.27 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1i5p h ILE 124 CO -0.22 0.42 0.13 -0.09 0.00 0.00 0.00 178.15 178.39 1i5p h ARG 125 N 0.92 0.96 -0.59 2.37 2.43 -0.82 -1.95 114.38 117.70 1i5p h ARG 125 Ca 0.16 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1i5p h ARG 125 Cb 0.59 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1i5p h ARG 125 CO 0.04 0.89 0.38 0.93 -1.51 0.00 0.00 179.97 180.70 1i5p h GLU 126 N 0.87 0.76 0.29 0.20 5.08 -0.71 -0.65 114.58 120.41 1i5p h GLU 126 Ca 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1i5p h GLU 126 Cb 0.37 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1i5p h GLU 126 CO 0.01 0.50 -0.14 0.35 -1.00 0.00 0.00 179.01 178.73 1i5p h PHE 127 N 0.78 -0.36 -0.63 4.33 3.57 -1.00 -0.99 116.94 122.65 1i5p h PHE 127 Ca 0.22 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1i5p h PHE 127 Cb -0.07 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1i5p h PHE 127 CO -0.04 -0.17 0.35 -0.91 -2.23 0.00 0.00 178.31 175.31 1i5p h ASN 128 N -0.47 0.76 -0.41 0.41 2.35 -1.22 -0.97 115.58 116.03 1i5p h ASN 128 Ca -0.04 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 1i5p h ASN 128 Cb 0.35 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1i5p h ASN 128 CO 0.06 0.61 -0.19 1.56 -1.65 0.00 0.00 177.43 177.82 1i5p h GLN 129 N 0.87 0.91 -0.70 0.81 4.20 -1.00 -1.37 115.11 118.82 1i5p h GLN 129 Ca 0.22 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1i5p h GLN 129 Cb 0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1i5p h GLN 129 CO -0.04 1.02 0.22 1.96 -0.67 0.00 0.00 178.83 181.32 1i5p h GLN 130 N 0.79 1.09 0.28 1.46 4.20 -0.57 0.35 115.11 122.72 1i5p h GLN 130 Ca 0.11 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1i5p h GLN 130 Cb 0.74 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1i5p h GLN 130 CO 0.06 0.94 -0.14 0.28 -0.67 0.00 0.00 178.83 179.30 1i5p h VAL 131 N 1.04 0.75 -0.21 -0.54 2.07 -0.98 -0.50 116.25 117.87 1i5p h VAL 131 Ca 0.23 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1i5p h VAL 131 Cb 0.30 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1i5p h VAL 131 CO -0.01 0.05 0.14 0.44 0.02 0.00 0.00 177.57 178.21 1i5p h ASP 132 N -0.49 0.24 -0.88 0.57 3.32 -1.05 -1.61 116.42 116.51 1i5p h ASP 132 Ca -0.04 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1i5p h ASP 132 Cb 0.37 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1i5p h ASP 132 CO 0.06 0.18 0.56 -1.13 -1.72 0.00 0.00 179.24 177.20 1i5p h ASN 133 N 0.28 0.93 -0.29 6.45 -0.00 -0.27 0.51 115.58 123.18 1i5p h ASN 133 Ca 0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.37 1i5p h ASN 133 Cb -0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.08 1i5p h ASN 133 CO -0.02 0.62 0.16 0.15 -0.00 0.00 0.00 177.43 178.34 1i5p h PHE 134 N 1.08 0.40 0.00 0.67 3.57 -0.69 0.50 116.94 122.47 1i5p h PHE 134 Ca 0.36 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1i5p h PHE 134 Cb 0.05 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1i5p h PHE 134 CO -0.02 0.33 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.02 1i5p h LEU 135 N 0.35 0.00 -6.00 0.59 3.38 -0.79 -3.37 115.31 109.47 1i5p h LEU 135 Ca 0.10 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.63 1i5p h LEU 135 Cb 0.07 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.51 1i5p h LEU 135 CO -0.02 0.30 -0.80 0.21 0.09 0.00 0.00 178.44 178.23 1i5p s ASN 136 N -6.38 0.64 -0.13 -0.43 3.04 0.12 -5.10 114.94 106.70 1i5p s ASN 136 Ca -0.01 -2.47 -0.41 0.00 0.04 0.00 0.00 52.86 50.02 1i5p s ASN 136 Cb 0.11 0.34 -0.18 0.00 -1.54 0.00 0.00 41.25 39.99 1i5p s ASN 136 CO 0.66 -0.15 1.38 -2.65 -3.04 0.00 0.00 177.10 173.30 1i5p n PRO 137 N 3.11 0.55 0.00 0.43 -0.02 0.14 -4.50 135.00 134.70 1i5p n PRO 137 Ca 0.23 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1i5p n PRO 137 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1i5p n PRO 137 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i5p n THR 138 N 2.89 0.00 0.00 3.45 -2.24 -1.26 -5.08 114.28 112.04 1i5p n THR 138 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1i5p n THR 138 Cb 0.09 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1i5p n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i5p n GLN 139 N 0.00 0.00 -1.25 -0.78 6.02 -1.26 -5.15 117.38 114.96 1i5p n GLN 139 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1i5p n GLN 139 Cb 0.42 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.73 1i5p n GLN 139 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1i5p n ASN 140 N 0.00 -2.42 0.06 1.08 3.02 -1.26 -4.91 115.26 110.83 1i5p n ASN 140 Ca 0.00 0.58 -0.09 0.00 -0.03 0.00 0.00 54.58 55.04 1i5p n ASN 140 Cb 0.00 -1.06 -0.06 0.00 -0.61 0.00 0.00 39.78 38.06 1i5p n ASN 140 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1i5p h PRO 141 N -0.28 -0.40 -5.79 3.52 0.13 -2.01 -3.48 132.00 123.70 1i5p h PRO 141 Ca -0.44 0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 1i5p h PRO 141 Cb 1.38 0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.60 1i5p h PRO 141 CO 0.41 -0.27 -0.76 0.28 -0.23 0.00 0.00 178.00 177.43 1i5p n VAL 142 N -4.13 -8.28 0.00 1.56 0.31 -1.26 -4.87 118.33 101.66 1i5p n VAL 142 Ca -0.05 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 1i5p n VAL 142 Cb 0.23 -5.82 0.00 0.00 -0.91 0.00 0.00 33.84 27.34 1i5p n VAL 142 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1i5p n PRO 143 N -0.35 2.95 0.00 5.55 -0.04 -1.26 -4.48 135.00 137.37 1i5p n PRO 143 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1i5p n PRO 143 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1i5p n PRO 143 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1i5p n LEU 144 N 0.00 0.67 0.00 1.53 7.94 -1.26 -4.07 117.00 121.81 1i5p n LEU 144 Ca 0.00 -0.34 0.01 0.00 -1.11 0.00 0.00 56.01 54.58 1i5p n LEU 144 Cb 0.00 -0.15 0.08 0.00 0.53 0.00 0.00 43.42 43.88 1i5p n LEU 144 CO 0.00 0.12 0.26 -1.20 -1.11 0.00 0.00 177.39 175.46 1i5p n SER 145 N 0.64 0.00 0.12 1.96 7.64 -1.26 -3.40 113.62 119.32 1i5p n SER 145 Ca 0.00 -0.57 -0.13 0.00 1.01 0.00 0.00 58.87 59.17 1i5p n SER 145 Cb 0.12 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 1i5p n SER 145 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1i5p h ILE 146 N 0.00 0.87 -0.70 0.44 2.04 -1.88 1.65 117.51 119.94 1i5p h ILE 146 Ca 0.00 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.53 1i5p h ILE 146 Cb 0.00 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1i5p h ILE 146 CO 0.00 0.10 0.46 0.74 0.00 0.00 0.00 178.15 179.45 1i5p h THR 147 N -0.49 0.93 -0.25 -0.27 2.02 -1.83 0.39 112.91 113.42 1i5p h THR 147 Ca -0.03 -0.20 -0.15 0.00 0.77 0.00 0.00 66.41 66.81 1i5p h THR 147 Cb 0.37 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1i5p h THR 147 CO 0.05 0.10 -0.45 -1.28 0.37 0.00 0.00 175.52 174.31 1i5p h SER 148 N 0.58 0.67 0.52 4.18 0.87 -1.51 -1.55 113.55 117.31 1i5p h SER 148 Ca 0.32 -0.32 -0.15 0.00 -1.23 0.00 0.00 61.79 60.42 1i5p h SER 148 Cb 0.48 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1i5p h SER 148 CO -0.11 1.02 -0.65 0.28 -0.53 0.00 0.00 176.83 176.84 1i5p h SER 149 N 0.50 0.14 -0.14 6.23 0.02 0.48 -2.52 113.55 118.27 1i5p h SER 149 Ca 0.03 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1i5p h SER 149 Cb 0.98 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1i5p h SER 149 CO 0.09 0.76 -0.05 0.58 -1.14 0.00 0.00 176.83 177.07 1i5p h VAL 150 N 0.09 1.30 -0.68 2.27 2.07 -0.13 -1.15 116.25 120.02 1i5p h VAL 150 Ca -0.01 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1i5p h VAL 150 Cb 1.17 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 1i5p h VAL 150 CO 0.09 0.30 0.35 0.78 0.02 0.00 0.00 177.57 179.11 1i5p h ASN 151 N -0.04 0.86 -0.08 0.57 2.35 -1.25 -0.49 115.58 117.51 1i5p h ASN 151 Ca 0.03 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1i5p h ASN 151 Cb 0.49 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1i5p h ASN 151 CO 0.02 0.71 -0.12 0.74 -1.65 0.00 0.00 177.43 177.13 1i5p h THR 152 N 0.96 1.39 -0.65 2.81 2.02 -1.39 -2.78 112.91 115.28 1i5p h THR 152 Ca 0.24 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1i5p h THR 152 Cb 0.06 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1i5p h THR 152 CO -0.03 0.38 0.41 -0.03 0.37 0.00 0.00 175.52 176.61 1i5p h MET 153 N -0.24 0.87 -0.35 6.66 1.85 -1.04 -0.74 114.93 121.93 1i5p h MET 153 Ca 0.01 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1i5p h MET 153 Cb 0.67 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.48 1i5p h MET 153 CO 0.03 0.60 0.16 0.37 -0.40 0.00 0.00 176.91 177.66 1i5p h GLN 154 N 0.88 0.32 -0.34 0.39 5.75 -1.12 0.37 115.11 121.36 1i5p h GLN 154 Ca 0.23 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.62 1i5p h GLN 154 Cb -0.06 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1i5p h GLN 154 CO -0.05 0.21 -0.19 0.37 -2.65 0.00 0.00 178.83 176.53 1i5p h GLN 155 N 0.33 0.63 -0.40 1.69 5.75 -1.22 -2.23 115.11 119.66 1i5p h GLN 155 Ca 0.15 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1i5p h GLN 155 Cb 0.09 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1i5p h GLN 155 CO -0.13 0.78 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.71 1i5p h LEU 156 N 0.57 0.64 -0.45 -2.39 3.38 -0.39 -1.54 115.31 115.13 1i5p h LEU 156 Ca 0.09 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1i5p h LEU 156 Cb 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1i5p h LEU 156 CO 0.04 0.75 0.10 -0.26 0.09 0.00 0.00 178.44 179.17 1i5p h PHE 157 N 0.62 0.77 -0.03 1.13 0.05 -0.54 -1.91 116.94 117.02 1i5p h PHE 157 Ca 0.12 -0.09 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 1i5p h PHE 157 Cb 0.47 -0.21 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 1i5p h PHE 157 CO 0.02 0.71 -0.18 -0.07 -0.18 0.00 0.00 178.31 178.61 1i5p h LEU 158 N 0.60 0.05 0.00 1.54 3.38 -1.04 -1.64 115.31 118.20 1i5p h LEU 158 Ca 0.14 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1i5p h LEU 158 Cb 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1i5p h LEU 158 CO 0.00 0.24 -0.92 0.78 0.09 0.00 0.00 178.44 178.63 1i5p h ASN 159 N 0.05 0.00 0.07 -0.43 2.35 -0.97 -3.40 115.58 113.26 1i5p h ASN 159 Ca 0.01 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 1i5p h ASN 159 Cb 0.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1i5p h ASN 159 CO 0.02 0.91 -1.91 0.54 -1.65 0.00 0.00 177.43 175.34 1i5p n ARG 160 N -3.32 0.69 -0.25 0.81 1.74 -0.75 -4.52 116.66 111.06 1i5p n ARG 160 Ca 0.00 0.32 0.06 0.00 -0.77 0.00 0.00 57.85 57.47 1i5p n ARG 160 Cb 0.90 -1.68 0.19 0.00 -1.02 0.00 0.00 32.46 30.85 1i5p n ARG 160 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1i5p h LEU 161 N -0.26 -0.10 -1.97 0.55 3.38 -1.51 -0.47 115.31 114.94 1i5p h LEU 161 Ca -0.44 0.17 0.16 0.00 0.09 0.00 0.00 57.88 57.86 1i5p h LEU 161 Cb 1.82 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.80 1i5p h LEU 161 CO -0.03 -0.10 0.49 -0.65 0.09 0.00 0.00 178.44 178.24 1i5p h PRO 162 N 0.21 0.00 0.00 1.13 0.11 -1.79 0.14 132.00 131.80 1i5p h PRO 162 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1i5p h PRO 162 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1i5p h PRO 162 CO -0.57 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.26 1i5p n GLN 163 N -3.97 0.18 -0.45 1.05 1.13 -0.18 -1.17 117.38 113.97 1i5p n GLN 163 Ca 0.11 0.17 0.08 0.00 -1.94 0.00 0.00 57.00 55.41 1i5p n GLN 163 Cb 0.71 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 29.83 1i5p n GLN 163 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1i5p n PHE 164 N -1.31 1.03 -1.89 1.08 3.01 0.50 -4.35 117.46 115.53 1i5p n PHE 164 Ca 0.06 -0.72 0.05 0.00 1.01 0.00 0.00 57.45 57.85 1i5p n PHE 164 Cb 0.12 -0.25 0.12 0.00 -0.01 0.00 0.00 39.48 39.45 1i5p n PHE 164 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1i5p n GLN 165 N 0.15 0.85 -1.68 -1.08 6.02 -0.32 -4.50 117.38 116.83 1i5p n GLN 165 Ca 0.20 -2.55 -0.44 0.00 -0.01 0.00 0.00 57.00 54.20 1i5p n GLN 165 Cb 0.80 -0.93 -0.04 0.00 1.02 0.00 0.00 30.24 31.09 1i5p n GLN 165 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1i5p n ILE 166 N -0.49 0.46 -1.69 5.09 2.08 -1.25 -4.77 119.36 118.79 1i5p n ILE 166 Ca 0.12 -0.08 -0.43 0.00 0.56 0.00 0.00 62.75 62.92 1i5p n ILE 166 Cb 0.85 -2.01 -0.02 0.00 -0.75 0.00 0.00 39.64 37.71 1i5p n ILE 166 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1i5p n GLN 167 N 6.02 2.13 0.00 0.38 7.27 -1.26 -1.11 117.38 130.80 1i5p n GLN 167 Ca 0.20 0.75 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1i5p n GLN 167 Cb 0.35 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.62 1i5p n GLN 167 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1i5p n GLY 168 N 1.43 3.26 0.92 1.69 0.00 -1.26 -4.79 105.19 106.45 1i5p n GLY 168 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1i5p n GLY 168 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i5p n TYR 169 N -1.07 0.00 -0.27 1.61 4.02 -0.27 -4.90 117.16 116.27 1i5p n TYR 169 Ca 0.00 -0.49 -0.03 0.00 -0.01 0.00 0.00 57.90 57.37 1i5p n TYR 169 Cb 0.00 -0.13 0.08 0.00 -0.02 0.00 0.00 39.34 39.27 1i5p n TYR 169 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1i5p h GLN 170 N 0.57 0.93 -0.30 -0.72 4.20 -1.77 -0.73 115.11 117.28 1i5p h GLN 170 Ca -0.10 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.39 1i5p h GLN 170 Cb 1.54 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 1i5p h GLN 170 CO 0.05 0.61 -0.44 1.25 -0.67 0.00 0.00 178.83 179.63 1i5p h LEU 171 N 0.96 0.90 -1.34 1.46 5.85 -1.90 -1.01 115.31 120.22 1i5p h LEU 171 Ca 0.29 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1i5p h LEU 171 Cb -0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1i5p h LEU 171 CO -0.09 1.23 0.08 0.25 -0.34 0.00 0.00 178.44 179.57 1i5p h LEU 172 N 0.59 0.49 -0.32 2.25 5.85 -1.86 -2.53 115.31 119.78 1i5p h LEU 172 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1i5p h LEU 172 Cb 1.03 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1i5p h LEU 172 CO 0.10 0.49 -0.45 0.18 -0.34 0.00 0.00 178.44 178.43 1i5p n LEU 173 N -4.34 0.94 -0.26 2.25 4.77 -0.31 -4.45 117.00 115.61 1i5p n LEU 173 Ca 0.02 -0.25 0.06 0.00 -0.03 0.00 0.00 56.01 55.81 1i5p n LEU 173 Cb 0.19 -0.14 0.19 0.00 -2.33 0.00 0.00 43.42 41.32 1i5p n LEU 173 CO 0.38 0.19 0.99 0.25 -1.33 0.00 0.00 177.39 177.87 1i5p h LEU 174 N 0.78 0.20 -0.53 2.23 5.85 -0.72 0.12 115.31 123.23 1i5p h LEU 174 Ca 0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1i5p h LEU 174 Cb 0.53 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1i5p h LEU 174 CO 0.00 0.05 0.34 -0.65 -0.34 0.00 0.00 178.44 177.84 1i5p h PRO 175 N 0.39 0.66 -0.43 5.25 0.11 -1.78 0.13 132.00 136.33 1i5p h PRO 175 Ca 0.42 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.45 1i5p h PRO 175 Cb 0.67 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1i5p h PRO 175 CO -0.44 0.44 0.13 -0.07 -0.21 0.00 0.00 178.00 177.85 1i5p h LEU 176 N 0.68 0.64 -0.99 2.35 3.38 -1.51 -1.91 115.31 117.95 1i5p h LEU 176 Ca 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i5p h LEU 176 Cb -0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1i5p h LEU 176 CO -0.07 0.68 0.58 0.15 0.09 0.00 0.00 178.44 179.87 1i5p h PHE 177 N 0.56 1.23 -0.52 1.13 3.57 -0.35 -0.72 116.94 121.84 1i5p h PHE 177 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1i5p h PHE 177 Cb 0.27 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1i5p h PHE 177 CO 0.01 0.81 0.33 0.00 -2.23 0.00 0.00 178.31 177.23 1i5p h ALA 178 N 1.34 0.66 -0.71 2.41 0.00 -0.39 0.46 119.26 123.03 1i5p h ALA 178 Ca 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1i5p h ALA 178 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1i5p h ALA 178 CO -0.07 0.12 0.37 1.96 0.00 0.00 0.00 179.25 181.64 1i5p h GLN 179 N 0.70 1.00 -0.41 0.00 1.08 -0.72 0.44 115.11 117.20 1i5p h GLN 179 Ca 0.19 -0.13 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 1i5p h GLN 179 Cb -0.05 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1i5p h GLN 179 CO -0.04 0.76 -0.22 0.00 -0.95 0.00 0.00 178.83 178.38 1i5p h ALA 180 N 1.19 0.85 -0.42 3.87 0.00 -0.51 -2.16 119.26 122.07 1i5p h ALA 180 Ca 0.25 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1i5p h ALA 180 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1i5p h ALA 180 CO -0.04 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.86 1i5p h ALA 181 N 1.04 1.23 -0.57 0.00 0.00 0.30 -1.65 119.26 119.62 1i5p h ALA 181 Ca 0.10 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1i5p h ALA 181 Cb 0.74 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1i5p h ALA 181 CO 0.06 0.51 0.33 -0.91 0.00 0.00 0.00 179.25 179.25 1i5p h ASN 182 N 0.64 0.53 -0.30 0.00 2.35 -0.32 -0.78 115.58 117.71 1i5p h ASN 182 Ca 0.13 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1i5p h ASN 182 Cb 0.38 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1i5p h ASN 182 CO 0.01 0.37 0.09 0.24 -1.65 0.00 0.00 177.43 176.49 1i5p h MET 183 N 0.66 0.46 -0.16 0.81 2.86 -0.80 -0.86 114.93 117.89 1i5p h MET 183 Ca 0.23 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1i5p h MET 183 Cb 0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1i5p h MET 183 CO -0.11 0.52 0.01 1.25 1.06 0.00 0.00 176.91 179.64 1i5p h HIS 184 N 0.32 0.30 -0.31 -0.22 -0.00 -1.08 -1.29 115.15 112.87 1i5p h HIS 184 Ca 0.10 -0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.33 1i5p h HIS 184 Cb 0.25 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1i5p h HIS 184 CO 0.01 0.48 -0.18 -0.07 -0.00 0.00 0.00 177.93 178.16 1i5p h LEU 185 N 0.04 0.56 -0.65 0.26 3.38 -1.17 -0.96 115.31 116.77 1i5p h LEU 185 Ca 0.05 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1i5p h LEU 185 Cb 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1i5p h LEU 185 CO 0.01 0.75 0.01 0.28 0.09 0.00 0.00 178.44 179.58 1i5p h SER 186 N 0.51 1.04 -0.00 -0.43 0.02 -1.09 -1.20 113.55 112.40 1i5p h SER 186 Ca 0.08 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1i5p h SER 186 Cb 0.60 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1i5p h SER 186 CO 0.04 1.09 0.00 0.15 -1.14 0.00 0.00 176.83 176.97 1i5p h PHE 187 N 0.98 0.00 -0.45 3.45 3.57 -0.74 0.08 116.94 123.82 1i5p h PHE 187 Ca 0.18 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1i5p h PHE 187 Cb 0.54 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1i5p h PHE 187 CO 0.04 0.00 0.28 0.82 -2.23 0.00 0.00 178.31 177.23 1i5p h ILE 188 N -0.00 1.08 -0.70 1.41 2.04 -1.00 -1.76 117.51 118.58 1i5p h ILE 188 Ca 0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1i5p h ILE 188 Cb 0.00 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1i5p h ILE 188 CO -0.00 0.10 0.35 -0.09 0.00 0.00 0.00 178.15 178.51 1i5p h ARG 189 N 0.57 0.98 -0.44 2.37 2.43 -1.00 -2.48 114.38 116.82 1i5p h ARG 189 Ca 0.17 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1i5p h ARG 189 Cb -0.02 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1i5p h ARG 189 CO -0.06 0.75 0.25 -0.44 -1.51 0.00 0.00 179.97 178.95 1i5p h ASP 190 N 0.98 0.54 -0.70 -3.80 3.32 -0.26 -0.97 116.42 115.53 1i5p h ASP 190 Ca 0.24 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1i5p h ASP 190 Cb 0.08 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1i5p h ASP 190 CO -0.03 0.46 0.41 0.58 -1.72 0.00 0.00 179.24 178.94 1i5p h VAL 191 N 0.57 1.02 0.44 -1.35 2.07 -0.93 -1.01 116.25 117.07 1i5p h VAL 191 Ca 0.15 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1i5p h VAL 191 Cb 0.04 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1i5p h VAL 191 CO -0.03 0.14 -0.21 0.40 0.02 0.00 0.00 177.57 177.89 1i5p h ILE 192 N 0.78 0.54 0.00 4.57 2.04 -1.05 -1.46 117.51 122.93 1i5p h ILE 192 Ca 0.30 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1i5p h ILE 192 Cb 0.12 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1i5p h ILE 192 CO -0.15 0.05 0.00 0.18 0.00 0.00 0.00 178.15 178.23 1i5p n LEU 193 N -5.28 0.71 -0.25 1.44 4.77 -0.40 -2.76 117.00 115.24 1i5p n LEU 193 Ca -0.11 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 1i5p n LEU 193 Cb 0.28 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.98 1i5p n LEU 193 CO 0.34 -0.49 0.59 0.59 -1.33 0.00 0.00 177.39 177.08 1i5p n ASN 194 N -2.26 2.61 -0.02 -1.43 3.02 -0.39 -4.84 115.26 111.94 1i5p n ASN 194 Ca 0.03 -2.80 -0.14 0.00 -0.03 0.00 0.00 54.58 51.64 1i5p n ASN 194 Cb 0.27 -0.36 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 1i5p n ASN 194 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i5p h ALA 195 N 0.47 -0.84 -0.35 5.41 0.00 -1.07 0.19 119.26 123.07 1i5p h ALA 195 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i5p h ALA 195 Cb 0.97 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1i5p h ALA 195 CO 0.04 -1.03 0.22 -0.44 0.00 0.00 0.00 179.25 178.05 1i5p h ASP 196 N -0.51 0.40 -0.21 0.00 3.45 -1.86 0.37 116.42 118.06 1i5p h ASP 196 Ca 0.03 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1i5p h ASP 196 Cb 0.61 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1i5p h ASP 196 CO -0.42 0.30 0.14 -0.33 -1.57 0.00 0.00 179.24 177.37 1i5p h GLU 197 N 0.46 0.28 -0.02 3.56 3.07 -1.82 -2.52 114.58 117.60 1i5p h GLU 197 Ca 0.13 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1i5p h GLU 197 Cb -0.04 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1i5p h GLU 197 CO -0.03 0.18 -0.12 0.91 -1.40 0.00 0.00 179.01 178.55 1i5p n TRP 198 N -4.51 0.00 -1.27 4.33 8.01 0.64 -4.95 117.44 119.70 1i5p n TRP 198 Ca 0.00 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.19 1i5p n TRP 198 Cb 0.07 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.31 29.35 1i5p n TRP 198 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1i5p n GLY 199 N 1.31 0.40 3.75 6.99 0.00 -0.73 -4.67 105.19 112.23 1i5p n GLY 199 Ca 0.14 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1i5p n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i5p s ILE 200 N -2.02 3.17 0.80 -0.61 -1.09 0.04 -4.90 121.20 116.59 1i5p s ILE 200 Ca 0.00 1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 59.33 1i5p s ILE 200 Cb 0.00 -3.65 0.07 0.00 -1.58 0.00 0.00 42.46 37.30 1i5p s ILE 200 CO 0.00 0.18 1.09 -0.94 -1.23 0.00 0.00 174.94 174.04 1i5p s SER 201 N 0.03 4.43 0.23 3.58 1.04 -1.26 -4.68 113.70 117.07 1i5p s SER 201 Ca 0.54 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 58.33 1i5p s SER 201 Cb -0.36 -2.16 0.22 0.00 0.10 0.00 0.00 66.02 63.82 1i5p s SER 201 CO 0.41 -2.02 1.73 0.00 0.98 0.00 0.00 173.24 174.34 1i5p h ALA 202 N -1.12 1.02 -0.61 5.32 0.00 -1.99 -1.04 119.26 120.84 1i5p h ALA 202 Ca -0.47 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1i5p h ALA 202 Cb 1.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1i5p h ALA 202 CO 0.57 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.58 1i5p h ALA 203 N 1.17 0.80 -0.51 0.00 0.00 -2.00 -1.59 119.26 117.13 1i5p h ALA 203 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1i5p h ALA 203 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1i5p h ALA 203 CO 0.01 0.52 -0.17 1.15 0.00 0.00 0.00 179.25 180.77 1i5p h THR 204 N 0.89 1.27 -0.00 0.00 2.02 -1.88 -2.37 112.91 112.85 1i5p h THR 204 Ca 0.19 -1.34 0.01 0.00 0.77 0.00 0.00 66.41 66.04 1i5p h THR 204 Cb 0.37 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1i5p h THR 204 CO 0.00 0.47 -0.03 0.25 0.37 0.00 0.00 175.52 176.58 1i5p h LEU 205 N 0.89 -0.10 -0.77 2.58 5.85 -0.92 -0.17 115.31 122.67 1i5p h LEU 205 Ca 0.12 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1i5p h LEU 205 Cb 0.75 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1i5p h LEU 205 CO 0.06 -0.05 0.49 -0.09 -0.34 0.00 0.00 178.44 178.51 1i5p h ARG 206 N -0.06 0.93 -0.45 1.25 9.65 -1.25 -1.30 114.38 123.14 1i5p h ARG 206 Ca 0.02 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1i5p h ARG 206 Cb 0.08 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1i5p h ARG 206 CO -0.04 0.61 0.25 1.15 2.80 0.00 0.00 179.97 184.75 1i5p h THR 207 N 0.96 1.16 0.00 0.20 2.02 -1.00 -2.60 112.91 113.64 1i5p h THR 207 Ca 0.31 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1i5p h THR 207 Cb 0.02 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1i5p h THR 207 CO -0.11 0.17 -0.16 1.88 0.37 0.00 0.00 175.52 177.67 1i5p h TYR 208 N 0.59 0.00 -0.51 3.16 -1.99 -0.48 -0.96 116.97 116.78 1i5p h TYR 208 Ca 0.16 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 1i5p h TYR 208 Cb 0.05 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 1i5p h TYR 208 CO -0.02 0.16 -0.12 0.00 -0.00 0.00 0.00 178.16 178.18 1i5p h ARG 209 N 0.00 0.98 -0.24 4.88 3.08 -0.87 -1.57 114.38 120.64 1i5p h ARG 209 Ca -0.00 -0.37 -0.11 0.00 0.07 0.00 0.00 59.98 59.56 1i5p h ARG 209 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1i5p h ARG 209 CO 0.02 1.05 -0.33 -0.44 -1.07 0.00 0.00 179.97 179.19 1i5p h ASP 210 N 0.84 0.52 -0.14 7.04 3.32 -1.17 -2.88 116.42 123.95 1i5p h ASP 210 Ca 0.13 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1i5p h ASP 210 Cb 0.68 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1i5p h ASP 210 CO 0.05 0.82 0.07 1.88 -1.72 0.00 0.00 179.24 180.33 1i5p h TYR 211 N 0.43 0.12 -0.48 4.55 0.99 -0.83 0.30 116.97 122.05 1i5p h TYR 211 Ca 0.05 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.85 1i5p h TYR 211 Cb 0.79 -0.04 -0.05 0.00 1.00 0.00 0.00 36.73 38.43 1i5p h TYR 211 CO 0.03 0.07 0.17 1.25 -0.00 0.00 0.00 178.16 179.68 1i5p h LEU 212 N 0.15 0.18 0.27 3.88 5.85 -1.15 0.22 115.31 124.70 1i5p h LEU 212 Ca 0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1i5p h LEU 212 Cb 0.01 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1i5p h LEU 212 CO -0.04 0.13 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.97 1i5p h ARG 213 N 0.35 -0.35 -0.77 1.25 2.43 -1.29 -2.17 114.38 113.84 1i5p h ARG 213 Ca 0.23 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1i5p h ARG 213 Cb 0.23 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1i5p h ARG 213 CO -0.23 -0.01 0.40 -0.91 -1.51 0.00 0.00 179.97 177.71 1i5p h ASN 214 N -0.76 0.99 0.50 -3.80 2.35 -0.23 -1.40 115.58 113.22 1i5p h ASN 214 Ca -0.04 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.43 1i5p h ASN 214 Cb 0.50 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1i5p h ASN 214 CO 0.06 0.82 -0.74 1.88 -1.65 0.00 0.00 177.43 177.80 1i5p h TYR 215 N 1.08 0.28 -0.83 1.19 -1.99 -0.67 -1.62 116.97 114.40 1i5p h TYR 215 Ca 0.27 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 1i5p h TYR 215 Cb 0.08 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 1i5p h TYR 215 CO 0.01 0.87 0.46 1.15 -0.00 0.00 0.00 178.16 180.64 1i5p h THR 216 N 0.13 1.24 0.50 -2.88 2.02 -1.08 0.25 112.91 113.09 1i5p h THR 216 Ca -0.02 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1i5p h THR 216 Cb 1.31 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1i5p h THR 216 CO 0.11 0.27 -0.24 -0.09 0.37 0.00 0.00 175.52 175.94 1i5p h ARG 217 N 1.15 -0.65 -0.11 6.66 1.12 -1.04 0.95 114.38 122.47 1i5p h ARG 217 Ca 0.29 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.23 1i5p h ARG 217 Cb 0.03 0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.11 1i5p h ARG 217 CO -0.05 -0.38 -0.05 -0.44 -3.11 0.00 0.00 179.97 175.94 1i5p h ASP 218 N -0.77 -0.17 -0.45 -3.80 3.32 -1.05 -0.18 116.42 113.31 1i5p h ASP 218 Ca -0.07 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1i5p h ASP 218 Cb 0.56 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1i5p h ASP 218 CO 0.11 -0.07 -0.16 1.88 -1.72 0.00 0.00 179.24 179.28 1i5p h TYR 219 N -0.04 1.06 0.18 4.55 0.99 -0.99 -1.49 116.97 121.23 1i5p h TYR 219 Ca 0.06 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 60.55 1i5p h TYR 219 Cb 0.13 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 37.61 1i5p h TYR 219 CO -0.18 1.02 -0.09 0.77 -0.00 0.00 0.00 178.16 179.69 1i5p h SER 220 N 0.83 -0.21 -0.87 3.88 0.02 -0.58 -2.04 113.55 114.57 1i5p h SER 220 Ca 0.12 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1i5p h SER 220 Cb 0.71 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 1i5p h SER 220 CO 0.05 0.04 0.57 0.78 -1.14 0.00 0.00 176.83 177.14 1i5p h ASN 221 N -0.46 0.98 -0.61 3.07 2.35 -1.03 -0.89 115.58 119.00 1i5p h ASN 221 Ca -0.02 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1i5p h ASN 221 Cb 0.35 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1i5p h ASN 221 CO 0.04 0.70 0.39 0.22 -1.65 0.00 0.00 177.43 177.13 1i5p h TYR 222 N 1.16 0.73 -0.19 1.19 3.20 -1.18 0.17 116.97 122.05 1i5p h TYR 222 Ca 0.33 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1i5p h TYR 222 Cb -0.10 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1i5p h TYR 222 CO -0.01 0.44 0.03 0.00 -1.64 0.00 0.00 178.16 176.97 1i5p h ILE 224 N 0.10 1.06 -0.60 0.00 2.04 -0.92 -1.87 117.51 117.33 1i5p h ILE 224 Ca 0.06 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1i5p h ILE 224 Cb 0.32 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1i5p h ILE 224 CO 0.00 0.05 0.31 0.78 0.00 0.00 0.00 178.15 179.30 1i5p h ASN 225 N 0.11 0.76 -0.39 1.72 2.35 -0.65 -0.04 115.58 119.44 1i5p h ASN 225 Ca 0.04 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1i5p h ASN 225 Cb 0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1i5p h ASN 225 CO -0.01 0.66 0.25 0.74 -1.65 0.00 0.00 177.43 177.43 1i5p h THR 226 N 0.81 1.10 -0.27 2.81 2.02 -1.07 -1.65 112.91 116.67 1i5p h THR 226 Ca 0.21 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1i5p h THR 226 Cb 0.08 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1i5p h THR 226 CO -0.03 0.10 -0.06 0.22 0.37 0.00 0.00 175.52 176.12 1i5p h TYR 227 N 0.52 0.58 -0.90 3.16 3.20 -1.16 -2.91 116.97 119.47 1i5p h TYR 227 Ca 0.14 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1i5p h TYR 227 Cb -0.05 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 1i5p h TYR 227 CO -0.05 0.72 0.60 1.96 -1.64 0.00 0.00 178.16 179.76 1i5p h GLN 228 N 0.28 1.19 -0.56 1.82 4.20 -0.86 0.12 115.11 121.30 1i5p h GLN 228 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i5p h GLN 228 Cb 0.53 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1i5p h GLN 228 CO 0.03 0.79 0.36 1.15 -0.67 0.00 0.00 178.83 180.48 1i5p h THR 229 N 1.23 1.15 -0.39 -0.54 2.02 -1.28 -1.56 112.91 113.53 1i5p h THR 229 Ca 0.33 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 1i5p h THR 229 Cb -0.14 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1i5p h THR 229 CO -0.07 0.15 -0.23 0.00 0.37 0.00 0.00 175.52 175.74 1i5p h ALA 230 N 1.19 0.55 -0.50 6.16 0.00 -1.23 -3.04 119.26 122.40 1i5p h ALA 230 Ca 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1i5p h ALA 230 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1i5p h ALA 230 CO -0.04 0.54 0.24 0.35 0.00 0.00 0.00 179.25 180.34 1i5p h PHE 231 N 0.66 0.69 0.00 0.00 3.57 -0.55 -1.64 116.94 119.67 1i5p h PHE 231 Ca 0.08 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1i5p h PHE 231 Cb 0.80 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1i5p h PHE 231 CO 0.06 0.51 -0.02 0.00 -2.23 0.00 0.00 178.31 176.63 1i5p h ARG 232 N 0.70 0.00 -0.19 1.11 3.08 -1.17 -2.17 114.38 115.75 1i5p h ARG 232 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1i5p h ARG 232 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1i5p h ARG 232 CO -0.02 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1i5p n GLY 233 N -0.36 0.55 3.78 0.04 0.00 -0.62 -4.66 105.19 103.91 1i5p n GLY 233 Ca -0.01 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1i5p n GLY 233 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i5p s LEU 234 N -1.61 4.24 -0.45 0.99 1.43 -0.82 -5.00 118.68 117.46 1i5p s LEU 234 Ca 0.34 1.98 0.07 0.00 -1.03 0.00 0.00 54.13 55.49 1i5p s LEU 234 Cb 0.19 -4.08 0.18 0.00 0.03 0.00 0.00 46.19 42.51 1i5p s LEU 234 CO 0.28 -0.31 0.65 0.21 0.23 0.00 0.00 176.35 177.42 1i5p s ASN 235 N -1.53 -1.37 0.27 2.29 3.84 -1.24 -3.93 114.94 113.26 1i5p s ASN 235 Ca 0.54 -1.20 -0.06 0.00 0.21 0.00 0.00 52.86 52.35 1i5p s ASN 235 Cb -0.21 1.86 -0.01 0.00 -0.55 0.00 0.00 41.25 42.33 1i5p s ASN 235 CO 0.27 -0.13 0.38 0.28 -2.79 0.00 0.00 177.10 175.12 1i5p s THR 236 N 1.44 0.00 0.82 -5.21 -1.32 -0.70 -4.85 115.64 105.82 1i5p s THR 236 Ca 0.22 -1.63 -0.10 0.00 -1.21 0.00 0.00 61.69 58.96 1i5p s THR 236 Cb -0.03 -2.42 0.09 0.00 -1.51 0.00 0.00 72.50 68.63 1i5p s THR 236 CO -0.06 0.00 1.11 -0.13 -2.21 0.00 0.00 174.62 173.33 1i5p s ARG 237 N -3.74 1.80 0.17 7.08 0.52 -1.26 -0.16 118.95 123.36 1i5p s ARG 237 Ca 0.30 1.31 -0.19 0.00 -0.52 0.00 0.00 55.73 56.63 1i5p s ARG 237 Cb 0.01 -1.83 0.09 0.00 0.52 0.00 0.00 34.95 33.74 1i5p s ARG 237 CO 0.14 -2.01 1.65 1.25 0.02 0.00 0.00 175.30 176.35 1i5p h LEU 238 N -1.39 -0.58 -0.61 2.53 5.85 -1.88 -1.25 115.31 117.98 1i5p h LEU 238 Ca -0.43 0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.55 1i5p h LEU 238 Cb 1.24 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 42.49 1i5p h LEU 238 CO 0.48 -0.20 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.62 1i5p h HIS 239 N -0.10 -0.07 -0.19 1.25 2.76 -1.87 -0.48 115.15 116.45 1i5p h HIS 239 Ca 0.19 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1i5p h HIS 239 Cb 0.39 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 1i5p h HIS 239 CO -0.40 -0.17 -0.45 -0.44 -1.30 0.00 0.00 177.93 175.16 1i5p h ASP 240 N 0.10 0.51 -0.25 3.26 3.45 -1.74 -1.93 116.42 119.82 1i5p h ASP 240 Ca 0.31 -0.24 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 1i5p h ASP 240 Cb 0.50 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1i5p h ASP 240 CO -0.53 0.89 0.06 -0.03 -1.57 0.00 0.00 179.24 178.06 1i5p h MET 241 N 0.38 0.41 -0.71 3.56 4.05 -0.27 -1.32 114.93 121.03 1i5p h MET 241 Ca 0.03 -0.10 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1i5p h MET 241 Cb 0.94 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 1i5p h MET 241 CO 0.08 0.51 0.20 -0.07 0.23 0.00 0.00 176.91 177.86 1i5p h LEU 242 N 0.23 1.05 -0.88 3.39 3.38 -1.07 -2.53 115.31 118.89 1i5p h LEU 242 Ca 0.08 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1i5p h LEU 242 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1i5p h LEU 242 CO 0.00 1.00 -0.27 -0.33 0.09 0.00 0.00 178.44 178.93 1i5p h GLU 243 N 1.06 0.51 -0.60 1.13 5.08 -1.26 0.12 114.58 120.62 1i5p h GLU 243 Ca 0.22 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1i5p h GLU 243 Cb 0.34 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1i5p h GLU 243 CO -0.00 0.74 0.36 0.35 -1.00 0.00 0.00 179.01 179.46 1i5p h PHE 244 N 0.44 0.79 -0.18 4.33 3.57 -1.01 0.15 116.94 125.04 1i5p h PHE 244 Ca 0.06 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1i5p h PHE 244 Cb 0.71 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1i5p h PHE 244 CO 0.02 0.54 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.54 1i5p h ARG 245 N 0.81 0.32 -0.27 1.11 2.43 -1.02 -2.51 114.38 115.24 1i5p h ARG 245 Ca 0.21 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1i5p h ARG 245 Cb -0.02 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1i5p h ARG 245 CO -0.04 0.54 0.08 1.15 -1.51 0.00 0.00 179.97 180.19 1i5p h THR 246 N 0.06 0.90 -0.25 0.20 2.02 -0.51 0.32 112.91 115.65 1i5p h THR 246 Ca 0.05 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1i5p h THR 246 Cb 0.41 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1i5p h THR 246 CO 0.01 0.03 -0.07 0.22 0.37 0.00 0.00 175.52 176.09 1i5p h TYR 247 N 0.19 -0.14 -0.08 3.16 3.20 -0.67 -0.41 116.97 122.22 1i5p h TYR 247 Ca 0.12 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 1i5p h TYR 247 Cb 0.11 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1i5p h TYR 247 CO -0.15 -0.11 -0.53 0.52 -1.64 0.00 0.00 178.16 176.25 1i5p h MET 248 N -0.01 0.23 -0.21 1.82 2.86 -1.08 -1.44 114.93 117.11 1i5p h MET 248 Ca 0.12 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1i5p h MET 248 Cb 0.19 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1i5p h MET 248 CO -0.26 0.71 -0.46 0.74 1.06 0.00 0.00 176.91 178.70 1i5p h PHE 249 N 0.18 0.65 0.07 -0.22 -1.00 0.12 0.48 116.94 117.21 1i5p h PHE 249 Ca 0.00 -0.20 -0.25 0.00 2.81 0.00 0.00 57.97 60.33 1i5p h PHE 249 Cb 1.00 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.43 1i5p h PHE 249 CO 0.02 0.90 -1.09 -0.07 -1.61 0.00 0.00 178.31 176.45 1i5p h LEU 250 N 0.43 0.48 0.00 1.54 3.38 -1.02 -0.54 115.31 119.58 1i5p h LEU 250 Ca 0.03 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1i5p h LEU 250 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1i5p h LEU 250 CO 0.09 1.29 -0.99 0.78 0.09 0.00 0.00 178.44 179.70 1i5p h ASN 251 N 0.15 0.00 0.00 -0.43 2.35 -1.23 -3.44 115.58 112.98 1i5p h ASN 251 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1i5p h ASN 251 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.14 1i5p h ASN 251 CO 0.18 0.30 -0.22 0.52 -1.65 0.00 0.00 177.43 176.56 1i5p n VAL 252 N -2.88 0.24 0.43 2.81 0.31 0.16 -4.65 118.33 114.76 1i5p n VAL 252 Ca -0.03 0.08 0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1i5p n VAL 252 Cb 0.69 -0.94 0.45 0.00 -0.91 0.00 0.00 33.84 33.13 1i5p n VAL 252 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1i5p h PHE 253 N 0.00 0.00 -0.34 3.52 -1.00 -1.23 -2.25 116.94 115.64 1i5p h PHE 253 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1i5p h PHE 253 Cb 0.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 1i5p h PHE 253 CO 0.00 0.00 -0.10 0.93 -1.61 0.00 0.00 178.31 177.53 1i5p h GLU 254 N 0.00 0.57 -0.04 1.51 4.39 -1.37 -0.69 114.58 118.94 1i5p h GLU 254 Ca 0.00 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1i5p h GLU 254 Cb 0.60 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1i5p h GLU 254 CO 0.00 0.66 -0.38 1.88 -1.16 0.00 0.00 179.01 180.02 1i5p h TYR 255 N 0.53 0.46 -0.97 4.33 0.99 -1.71 -2.75 116.97 117.85 1i5p h TYR 255 Ca 0.10 -0.22 0.09 0.00 2.00 0.00 0.00 58.73 60.70 1i5p h TYR 255 Cb 0.48 -0.07 -0.07 0.00 1.00 0.00 0.00 36.73 38.08 1i5p h TYR 255 CO 0.02 0.99 0.62 0.28 -0.00 0.00 0.00 178.16 180.07 1i5p h VAL 256 N -0.19 1.00 0.00 -2.88 2.07 -1.18 -0.35 116.25 114.71 1i5p h VAL 256 Ca -0.03 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1i5p h VAL 256 Cb 1.06 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1i5p h VAL 256 CO 0.08 0.19 -0.24 0.28 0.02 0.00 0.00 177.57 177.89 1i5p h SER 257 N 1.03 0.00 0.64 0.57 0.02 -1.10 -3.09 113.55 111.62 1i5p h SER 257 Ca 0.45 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.19 1i5p h SER 257 Cb 0.34 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1i5p h SER 257 CO -0.20 0.24 -1.50 0.00 -1.14 0.00 0.00 176.83 174.23 1i5p n ILE 258 N -3.60 1.32 -0.13 3.27 0.13 -0.30 -4.30 119.36 115.75 1i5p n ILE 258 Ca -0.01 -0.72 -0.05 0.00 -1.10 0.00 0.00 62.75 60.87 1i5p n ILE 258 Cb 0.38 -0.83 0.03 0.00 -0.84 0.00 0.00 39.64 38.38 1i5p n ILE 258 CO 0.00 0.00 0.00 -0.50 2.80 0.00 0.00 176.55 178.85 1i5p h TRP 259 N 0.00 0.34 0.00 9.51 6.55 -1.04 -0.22 115.95 131.08 1i5p h TRP 259 Ca -0.20 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.66 1i5p h TRP 259 Cb 1.71 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 29.92 1i5p h TRP 259 CO 0.00 0.15 0.00 -1.13 -1.05 0.00 0.00 178.44 176.41 1i5p n SER 260 N -4.96 0.00 -0.17 -3.49 3.41 -1.25 -1.62 113.62 105.55 1i5p n SER 260 Ca 0.03 -0.85 0.03 0.00 -0.26 0.00 0.00 58.87 57.82 1i5p n SER 260 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1i5p n SER 260 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i5p n LEU 261 N -0.83 1.05 0.30 1.04 4.77 -0.15 -4.51 117.00 118.67 1i5p n LEU 261 Ca 0.10 -0.78 0.15 0.00 -0.03 0.00 0.00 56.01 55.45 1i5p n LEU 261 Cb 0.05 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.04 1i5p n LEU 261 CO 0.08 0.22 1.12 -0.26 -1.33 0.00 0.00 177.39 177.21 1i5p h PHE 262 N 0.83 0.00 0.00 -1.77 0.05 -0.72 0.49 116.94 115.81 1i5p h PHE 262 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1i5p h PHE 262 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.19 1i5p h PHE 262 CO 0.00 0.01 0.00 0.36 -0.18 0.00 0.00 178.31 178.50 1i5p n LYS 263 N -3.85 0.00 -4.21 1.51 2.85 -1.26 -4.71 118.16 108.49 1i5p n LYS 263 Ca -0.03 0.33 -0.26 0.00 -1.05 0.00 0.00 58.31 57.30 1i5p n LYS 263 Cb 0.09 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.90 1i5p n LYS 263 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1i5p s TYR 264 N -2.99 2.85 0.04 5.58 1.51 0.16 -0.83 117.35 123.66 1i5p s TYR 264 Ca 0.05 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 1i5p s TYR 264 Cb 0.06 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1i5p s TYR 264 CO 0.18 0.54 -0.15 -0.65 -1.11 0.00 0.00 175.55 174.35 1i5p s GLN 265 N -3.13 1.02 -1.22 -0.62 -0.21 -1.26 -4.81 119.66 109.42 1i5p s GLN 265 Ca 0.29 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.88 1i5p s GLN 265 Cb -0.09 -1.04 -0.01 0.00 1.00 0.00 0.00 33.01 32.88 1i5p s GLN 265 CO 0.19 0.26 0.90 0.45 -2.12 0.00 0.00 175.29 174.97 1i5p n SER 266 N 1.92 -2.14 -3.94 5.90 2.88 -0.64 -4.79 113.62 112.80 1i5p n SER 266 Ca -0.18 -0.69 -0.31 0.00 -1.33 0.00 0.00 58.87 56.36 1i5p n SER 266 Cb 0.54 -4.78 -0.15 0.00 -0.75 0.00 0.00 64.21 59.08 1i5p n SER 266 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1i5p s LEU 267 N -6.39 2.95 -0.41 2.46 2.96 0.29 0.77 118.68 121.31 1i5p s LEU 267 Ca 0.04 -1.39 -0.28 0.00 -0.22 0.00 0.00 54.13 52.28 1i5p s LEU 267 Cb -0.01 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1i5p s LEU 267 CO 0.76 -0.27 1.07 -0.32 -1.32 0.00 0.00 176.35 176.27 1i5p s MET 268 N 1.31 3.83 -0.66 1.98 -2.45 0.28 -3.29 119.30 120.31 1i5p s MET 268 Ca -0.02 0.69 -0.27 0.00 -1.25 0.00 0.00 55.69 54.83 1i5p s MET 268 Cb -0.19 -3.84 0.02 0.00 1.25 0.00 0.00 34.83 32.07 1i5p s MET 268 CO -0.08 -1.16 1.32 0.08 1.05 0.00 0.00 175.02 176.22 1i5p s VAL 269 N 4.02 3.79 0.30 10.11 1.01 -1.26 -1.57 120.40 136.80 1i5p s VAL 269 Ca 0.45 0.58 0.37 0.00 0.00 0.00 0.00 61.98 63.38 1i5p s VAL 269 Cb -0.10 -4.72 0.40 0.00 0.00 0.00 0.00 36.38 31.97 1i5p s VAL 269 CO 0.25 -1.53 2.11 0.77 0.00 0.00 0.00 175.10 176.70 1i5p h SER 270 N 10.40 0.00 -4.86 3.32 4.64 -1.94 -3.46 113.55 121.66 1i5p h SER 270 Ca -0.27 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1i5p h SER 270 Cb 1.07 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.03 1i5p h SER 270 CO 1.23 0.01 0.41 -0.94 -0.87 0.00 0.00 176.83 176.67 1i5p s SER 271 N -5.55 -0.38 0.00 4.97 1.04 -1.26 -3.83 113.70 108.69 1i5p s SER 271 Ca -0.01 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1i5p s SER 271 Cb 0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1i5p s SER 271 CO 0.50 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1i5p n GLY 272 N -0.33 6.23 3.76 7.32 0.00 -1.25 -4.79 105.19 116.14 1i5p n GLY 272 Ca -0.10 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 1i5p n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5p s ALA 273 N -2.00 2.47 0.78 4.61 0.00 -1.24 -4.18 121.76 122.20 1i5p s ALA 273 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 1i5p s ALA 273 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.83 1i5p s ALA 273 CO 0.00 -1.26 1.13 -0.80 0.00 0.00 0.00 175.76 174.83 1i5p s ASN 274 N -2.33 4.76 -0.11 0.00 0.01 -1.26 -4.78 114.94 111.23 1i5p s ASN 274 Ca 0.69 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.88 1i5p s ASN 274 Cb -0.23 -1.70 0.02 0.00 0.41 0.00 0.00 41.25 39.75 1i5p s ASN 274 CO 0.39 -1.77 -0.09 -0.76 -1.51 0.00 0.00 177.10 173.36 1i5p s LEU 275 N -5.58 1.32 -0.12 0.60 1.43 -0.17 -4.96 118.68 111.20 1i5p s LEU 275 Ca 0.60 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1i5p s LEU 275 Cb -0.12 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1i5p s LEU 275 CO 0.52 -0.08 0.06 -0.31 0.23 0.00 0.00 176.35 176.76 1i5p s TYR 276 N 1.49 3.32 -0.02 0.29 1.51 -1.26 -0.95 117.35 121.73 1i5p s TYR 276 Ca 0.01 0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1i5p s TYR 276 Cb -0.13 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1i5p s TYR 276 CO -0.06 0.48 -0.17 0.00 -1.11 0.00 0.00 175.55 174.69 1i5p s ALA 277 N -0.66 1.44 0.20 3.71 0.00 -0.68 -4.61 121.76 121.17 1i5p s ALA 277 Ca 0.11 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1i5p s ALA 277 Cb -0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1i5p s ALA 277 CO 0.02 0.33 0.01 -1.54 0.00 0.00 0.00 175.76 174.59 1i5p s SER 278 N -0.30 1.40 0.50 0.00 1.04 -1.26 -1.55 113.70 113.54 1i5p s SER 278 Ca 0.04 -1.22 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 1i5p s SER 278 Cb -0.08 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.05 1i5p s SER 278 CO -0.00 -0.58 0.97 -0.83 0.98 0.00 0.00 173.24 173.79 1i5p s GLY 279 N -3.24 2.08 0.61 7.32 0.00 -1.24 -4.81 107.32 108.04 1i5p s GLY 279 Ca 0.28 0.18 0.03 0.00 0.00 0.00 0.00 44.72 45.21 1i5p s GLY 279 CO 0.07 0.45 0.84 -0.56 0.00 0.00 0.00 173.10 173.90 1i5p s SER 280 N -3.01 4.92 0.00 1.64 0.01 -1.26 -4.59 113.70 111.41 1i5p s SER 280 Ca 0.59 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1i5p s SER 280 Cb -0.10 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1i5p s SER 280 CO 0.30 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 173.14 1i5p n GLY 281 N -2.45 2.80 0.05 3.44 0.00 -1.26 -0.51 105.19 107.27 1i5p n GLY 281 Ca 0.13 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.23 1i5p n GLY 281 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i5p n PRO 282 N -1.20 0.11 0.01 1.61 -0.04 -1.26 -4.13 135.00 130.11 1i5p n PRO 282 Ca 0.00 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1i5p n PRO 282 Cb 0.00 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.70 1i5p n PRO 282 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1i5p h GLN 283 N 0.00 0.36 -5.94 0.54 4.20 -1.89 -3.40 115.11 108.98 1i5p h GLN 283 Ca 0.00 -0.43 -0.51 0.00 0.06 0.00 0.00 58.65 57.77 1i5p h GLN 283 Cb 0.56 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.39 1i5p h GLN 283 CO 0.00 1.12 1.34 -0.65 -0.67 0.00 0.00 178.83 179.97 1i5p s GLN 284 N -3.03 3.29 -0.07 1.46 1.11 -1.26 -4.75 119.66 116.41 1i5p s GLN 284 Ca -0.14 -0.99 0.21 0.00 0.01 0.00 0.00 55.36 54.45 1i5p s GLN 284 Cb 0.03 -5.29 -0.30 0.00 -1.01 0.00 0.00 33.01 26.44 1i5p s GLN 284 CO 0.82 -2.64 0.40 0.25 0.01 0.00 0.00 175.29 174.13 1i5p n THR 285 N 7.16 0.44 -1.69 -0.19 -2.24 -1.26 -4.83 114.28 111.67 1i5p n THR 285 Ca 0.37 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1i5p n THR 285 Cb 0.49 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1i5p n THR 285 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1i5p n GLN 286 N -2.43 2.13 -4.05 -0.78 7.27 -1.26 -4.86 117.38 113.40 1i5p n GLN 286 Ca -0.12 0.75 -0.34 0.00 0.07 0.00 0.00 57.00 57.36 1i5p n GLN 286 Cb 0.74 -2.37 -0.07 0.00 2.41 0.00 0.00 30.24 30.95 1i5p n GLN 286 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1i5p s SER 287 N -0.05 5.92 0.14 1.69 0.15 -1.26 -3.76 113.70 116.52 1i5p s SER 287 Ca 0.60 0.25 0.06 0.00 0.70 0.00 0.00 55.95 57.57 1i5p s SER 287 Cb -0.59 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1i5p s SER 287 CO 0.57 0.31 -0.14 -0.36 1.20 0.00 0.00 173.24 174.82 1i5p s PHE 288 N -1.15 1.50 0.41 3.44 0.40 0.78 -4.90 117.98 118.45 1i5p s PHE 288 Ca 0.21 -0.56 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 1i5p s PHE 288 Cb -0.12 -0.76 -0.07 0.00 0.51 0.00 0.00 43.02 42.57 1i5p s PHE 288 CO 0.12 0.19 0.04 0.95 0.70 0.00 0.00 175.22 177.23 1i5p s THR 289 N -2.32 2.06 0.43 0.64 -4.23 -1.26 -1.73 115.64 109.23 1i5p s THR 289 Ca 0.12 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1i5p s THR 289 Cb -0.04 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.16 1i5p s THR 289 CO 0.04 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.04 1i5p h ALA 290 N 1.70 2.13 0.00 3.99 0.00 -1.76 0.03 119.26 125.34 1i5p h ALA 290 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1i5p h ALA 290 Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i5p h ALA 290 CO 0.79 -0.32 -0.04 1.96 0.00 0.00 0.00 179.25 181.63 1i5p h GLN 291 N 0.40 0.00 0.00 0.00 4.20 -1.93 -1.44 115.11 116.33 1i5p h GLN 291 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1i5p h GLN 291 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1i5p h GLN 291 CO -0.11 0.04 -0.56 -0.91 -0.67 0.00 0.00 178.83 176.62 1i5p h ASN 292 N 0.00 0.00 -0.29 1.46 -0.26 -1.28 -3.39 115.58 111.82 1i5p h ASN 292 Ca -0.00 -0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1i5p h ASN 292 Cb 0.19 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1i5p h ASN 292 CO 0.01 0.04 0.10 -0.25 -1.06 0.00 0.00 177.43 176.26 1i5p h TRP 293 N 0.00 0.18 -0.76 1.19 -0.00 -1.21 -2.54 115.95 112.81 1i5p h TRP 293 Ca 0.00 0.01 0.16 0.00 -0.00 0.00 0.00 58.89 59.06 1i5p h TRP 293 Cb 0.87 -0.04 -0.10 0.00 -0.00 0.00 0.00 29.16 29.89 1i5p h TRP 293 CO 0.00 0.08 0.26 -1.35 -0.00 0.00 0.00 178.44 177.43 1i5p h PRO 294 N 0.23 0.36 -0.08 2.65 0.11 -1.75 -0.57 132.00 132.94 1i5p h PRO 294 Ca 0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1i5p h PRO 294 Cb 0.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 1i5p h PRO 294 CO -0.13 0.24 0.04 0.35 -0.21 0.00 0.00 178.00 178.28 1i5p h PHE 295 N 0.37 0.12 -0.10 0.65 3.57 -1.75 -2.06 116.94 117.73 1i5p h PHE 295 Ca 0.43 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.95 1i5p h PHE 295 Cb 0.69 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1i5p h PHE 295 CO -0.20 0.19 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.92 1i5p h LEU 296 N 0.01 -0.26 -0.91 0.59 3.38 -0.75 -1.45 115.31 115.92 1i5p h LEU 296 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i5p h LEU 296 Cb 0.12 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1i5p h LEU 296 CO -0.00 -0.11 -0.04 0.10 0.09 0.00 0.00 178.44 178.48 1i5p h TYR 297 N -0.10 0.00 0.00 1.13 -0.00 -1.23 -0.38 116.97 116.39 1i5p h TYR 297 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.69 1i5p h TYR 297 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.91 1i5p h TYR 297 CO -0.20 0.04 -0.52 0.66 -0.00 0.00 0.00 178.16 178.15 1i5p h SER 298 N 0.00 0.00 0.16 0.10 4.64 -0.87 -2.78 113.55 114.79 1i5p h SER 298 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1i5p h SER 298 Cb 0.72 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1i5p h SER 298 CO 0.00 0.52 -1.08 0.25 -0.87 0.00 0.00 176.83 175.65 1i5p h LEU 299 N 0.00 0.52 -1.89 5.97 5.85 -0.73 -3.32 115.31 121.71 1i5p h LEU 299 Ca -0.01 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1i5p h LEU 299 Cb 1.09 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1i5p h LEU 299 CO 0.07 1.51 0.00 -0.26 -0.34 0.00 0.00 178.44 179.42 1i5p h PHE 300 N -0.25 0.00 -0.46 1.25 0.05 -1.07 -2.69 116.94 113.76 1i5p h PHE 300 Ca -0.20 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.59 1i5p h PHE 300 Cb 1.77 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.72 1i5p h PHE 300 CO 0.17 0.00 0.00 1.04 -0.18 0.00 0.00 178.31 179.34 1i5p n GLN 301 N -2.91 3.41 -1.98 1.51 6.02 -1.05 -4.76 117.38 117.62 1i5p n GLN 301 Ca -0.01 -2.71 -0.42 0.00 -0.01 0.00 0.00 57.00 53.85 1i5p n GLN 301 Cb 0.19 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.65 1i5p n GLN 301 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1i5p s VAL 302 N -2.02 2.83 -1.28 5.09 1.01 -1.02 -2.01 120.40 123.00 1i5p s VAL 302 Ca 0.43 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1i5p s VAL 302 Cb 0.29 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1i5p s VAL 302 CO 0.17 0.03 0.07 0.59 0.00 0.00 0.00 175.10 175.96 1i5p n ASN 303 N 4.31 -4.66 0.30 3.32 3.02 -1.26 -4.89 115.26 115.40 1i5p n ASN 303 Ca 0.14 -0.04 0.19 0.00 -0.03 0.00 0.00 54.58 54.83 1i5p n ASN 303 Cb 0.40 -3.75 0.87 0.00 -0.61 0.00 0.00 39.78 36.69 1i5p n ASN 303 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i5p h SER 304 N -0.15 0.00 0.34 6.41 0.02 -1.74 -2.13 113.55 116.30 1i5p h SER 304 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1i5p h SER 304 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1i5p h SER 304 CO 0.43 0.02 -0.13 -0.46 -1.14 0.00 0.00 176.83 175.54 1i5p n ASN 305 N -3.15 0.56 -4.98 3.07 6.94 -1.26 -4.85 115.26 111.59 1i5p n ASN 305 Ca -0.01 -0.62 -0.20 0.00 -0.02 0.00 0.00 54.58 53.73 1i5p n ASN 305 Cb 0.22 -0.04 0.02 0.00 -2.36 0.00 0.00 39.78 37.62 1i5p n ASN 305 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1i5p s TYR 306 N -2.48 2.98 -0.41 -2.53 1.51 -0.80 -2.06 117.35 113.56 1i5p s TYR 306 Ca 0.28 -0.09 -0.17 0.00 -1.01 0.00 0.00 57.07 56.08 1i5p s TYR 306 Cb 0.20 -2.42 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1i5p s TYR 306 CO 0.48 -0.48 0.43 0.42 -1.11 0.00 0.00 175.55 175.29 1i5p s ILE 307 N -2.50 5.10 0.05 2.71 1.01 -1.12 -4.83 121.20 121.61 1i5p s ILE 307 Ca 0.52 -0.30 -0.34 0.00 0.00 0.00 0.00 60.65 60.53 1i5p s ILE 307 Cb -0.10 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 1i5p s ILE 307 CO 0.36 -0.38 1.70 -0.11 0.00 0.00 0.00 174.94 176.50 1i5p n LEU 308 N 5.57 3.20 -0.09 2.97 7.94 -1.26 -1.25 117.00 134.09 1i5p n LEU 308 Ca -0.07 1.04 -0.16 0.00 -1.11 0.00 0.00 56.01 55.71 1i5p n LEU 308 Cb 0.48 -1.40 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 1i5p n LEU 308 CO 0.45 -0.21 -1.10 -0.24 -1.11 0.00 0.00 177.39 175.19 1i5p n SER 309 N 4.77 1.99 0.00 1.96 2.88 -0.08 -4.78 113.62 120.35 1i5p n SER 309 Ca 0.19 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1i5p n SER 309 Cb 0.29 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1i5p n SER 309 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i5p n GLY 310 N 2.27 -0.58 3.17 0.46 0.00 -1.00 -1.51 105.19 108.00 1i5p n GLY 310 Ca -0.33 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1i5p n GLY 310 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i5p s ILE 311 N -3.38 0.15 0.11 -0.61 -4.36 0.28 0.65 121.20 114.04 1i5p s ILE 311 Ca 0.00 -1.59 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1i5p s ILE 311 Cb 0.00 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 1i5p s ILE 311 CO 0.00 -0.69 -0.12 -0.94 0.24 0.00 0.00 174.94 173.43 1i5p s SER 312 N -2.94 1.68 0.03 4.36 1.04 -0.07 -0.12 113.70 117.68 1i5p s SER 312 Ca 0.11 -0.80 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 1i5p s SER 312 Cb 0.06 -0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.25 1i5p s SER 312 CO -0.06 -0.21 1.22 -0.83 0.98 0.00 0.00 173.24 174.34 1i5p s GLY 313 N -2.42 -0.08 -0.34 7.32 0.00 -0.81 -1.16 107.32 109.83 1i5p s GLY 313 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 1i5p s GLY 313 CO 0.01 4.50 0.08 -1.59 0.00 0.00 0.00 173.10 176.11 1i5p s THR 314 N -2.08 3.39 -0.12 0.90 2.01 0.16 -0.51 115.64 119.38 1i5p s THR 314 Ca 0.27 -1.39 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 1i5p s THR 314 Cb -0.01 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1i5p s THR 314 CO 0.01 -0.24 0.05 0.00 -0.69 0.00 0.00 174.62 173.74 1i5p s ARG 315 N 1.30 3.41 -0.01 4.92 1.70 -1.26 -0.64 118.95 128.37 1i5p s ARG 315 Ca -0.01 -0.33 0.05 0.00 -0.47 0.00 0.00 55.73 54.97 1i5p s ARG 315 Cb -0.20 -3.02 -0.01 0.00 -0.57 0.00 0.00 34.95 31.15 1i5p s ARG 315 CO 0.00 0.58 -0.16 -0.51 -1.08 0.00 0.00 175.30 174.12 1i5p s LEU 316 N -0.51 2.02 -0.35 -1.89 1.43 0.71 -4.93 118.68 115.17 1i5p s LEU 316 Ca 0.10 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1i5p s LEU 316 Cb -0.12 -0.85 0.11 0.00 0.03 0.00 0.00 46.19 45.35 1i5p s LEU 316 CO 0.02 0.20 0.10 -0.44 0.23 0.00 0.00 176.35 176.46 1i5p s SER 317 N -0.36 4.34 -0.13 2.29 0.01 -1.26 -0.90 113.70 117.68 1i5p s SER 317 Ca 0.06 -2.08 0.00 0.00 1.31 0.00 0.00 55.95 55.24 1i5p s SER 317 Cb -0.07 -1.28 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 1i5p s SER 317 CO -0.00 -0.37 -0.14 -0.63 0.41 0.00 0.00 173.24 172.51 1i5p s ILE 318 N 1.02 2.96 -0.60 1.44 1.01 -1.08 -4.98 121.20 120.96 1i5p s ILE 318 Ca 0.12 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1i5p s ILE 318 Cb -0.19 -2.24 0.18 0.00 0.01 0.00 0.00 42.46 40.22 1i5p s ILE 318 CO -0.13 0.52 0.48 0.41 0.00 0.00 0.00 174.94 176.22 1i5p n THR 319 N 3.57 0.77 -2.30 2.92 -1.04 -1.26 -1.00 114.28 115.95 1i5p n THR 319 Ca -0.18 -4.44 -0.40 0.00 -2.04 0.00 0.00 64.05 56.99 1i5p n THR 319 Cb 0.53 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.99 1i5p n THR 319 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1i5p s PHE 320 N -1.11 3.25 0.49 -1.42 -0.71 -0.99 -4.85 117.98 112.64 1i5p s PHE 320 Ca 0.29 1.56 -0.23 0.00 -1.04 0.00 0.00 56.93 57.51 1i5p s PHE 320 Cb 0.01 -3.45 -0.06 0.00 -1.21 0.00 0.00 43.02 38.30 1i5p s PHE 320 CO -0.16 -1.22 1.29 -2.14 -1.34 0.00 0.00 175.22 171.65 1i5p s PRO 321 N -1.81 3.51 -0.10 1.99 0.02 -1.26 -3.06 135.00 134.29 1i5p s PRO 321 Ca 0.49 2.08 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 1i5p s PRO 321 Cb -0.34 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.75 1i5p s PRO 321 CO 0.44 -0.85 0.92 -0.80 -0.33 0.00 0.00 177.00 176.39 1i5p s ASN 322 N -1.03 7.16 0.49 2.53 -0.87 -1.23 -4.86 114.94 117.12 1i5p s ASN 322 Ca 0.66 1.42 0.04 0.00 -1.57 0.00 0.00 52.86 53.41 1i5p s ASN 322 Cb -0.36 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.25 38.34 1i5p s ASN 322 CO 0.44 -0.37 0.15 -0.51 -2.57 0.00 0.00 177.10 174.24 1i5p s ILE 323 N 1.75 1.61 0.00 0.60 1.10 -1.26 -4.71 121.20 120.29 1i5p s ILE 323 Ca 0.45 -1.80 0.00 0.00 -0.51 0.00 0.00 60.65 58.79 1i5p s ILE 323 Cb -0.18 -2.41 0.00 0.00 0.15 0.00 0.00 42.46 40.02 1i5p s ILE 323 CO 0.18 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.62 1i5p n GLY 324 N -1.37 0.75 0.00 1.50 0.00 -1.26 -4.11 105.19 100.70 1i5p n GLY 324 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1i5p n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5p n GLY 325 N -2.15 2.65 3.79 -0.02 0.00 -1.26 -5.07 105.19 103.13 1i5p n GLY 325 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1i5p n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i5p s LEU 326 N 0.00 3.50 0.00 0.99 1.43 -1.26 -5.07 118.68 118.27 1i5p s LEU 326 Ca 0.00 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1i5p s LEU 326 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1i5p s LEU 326 CO 0.00 -1.27 0.00 -0.81 0.23 0.00 0.00 176.35 174.50 1i5p n PRO 327 N -2.05 0.90 0.00 1.29 -0.04 -1.26 -4.63 135.00 129.21 1i5p n PRO 327 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1i5p n PRO 327 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1i5p n PRO 327 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i5p n GLY 328 N 5.00 0.89 1.28 0.55 0.00 -1.26 -4.58 105.19 107.06 1i5p n GLY 328 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 1i5p n GLY 328 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i5p n SER 329 N -3.35 -0.71 -3.78 1.61 2.88 -1.26 -3.57 113.62 105.43 1i5p n SER 329 Ca 0.00 -1.59 -0.22 0.00 -1.33 0.00 0.00 58.87 55.73 1i5p n SER 329 Cb 0.00 1.21 -0.17 0.00 -0.75 0.00 0.00 64.21 64.50 1i5p n SER 329 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1i5p s THR 330 N -2.65 0.35 0.08 2.46 2.01 -1.17 -2.29 115.64 114.43 1i5p s THR 330 Ca 0.07 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.27 1i5p s THR 330 Cb -0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1i5p s THR 330 CO 0.05 0.24 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.10 1i5p s THR 331 N 1.77 2.48 -0.12 -0.82 2.01 -0.74 -2.35 115.64 117.87 1i5p s THR 331 Ca 0.02 -1.47 -0.04 0.00 0.31 0.00 0.00 61.69 60.51 1i5p s THR 331 Cb -0.13 -2.06 0.05 0.00 0.01 0.00 0.00 72.50 70.37 1i5p s THR 331 CO -0.04 0.23 0.08 0.28 -0.69 0.00 0.00 174.62 174.48 1i5p s THR 332 N -0.98 -0.11 -0.43 -0.82 -1.32 -0.17 -0.68 115.64 111.15 1i5p s THR 332 Ca 0.14 0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.54 1i5p s THR 332 Cb -0.10 -0.41 0.03 0.00 -1.51 0.00 0.00 72.50 70.51 1i5p s THR 332 CO 0.06 -0.10 0.36 -1.00 -2.21 0.00 0.00 174.62 171.73 1i5p s HIS 333 N 2.16 3.22 0.18 9.09 3.76 0.51 -2.64 115.29 131.57 1i5p s HIS 333 Ca 0.03 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.42 1i5p s HIS 333 Cb -0.14 -2.79 -0.05 0.00 1.11 0.00 0.00 32.58 30.71 1i5p s HIS 333 CO -0.07 -0.67 -0.13 -1.54 -0.85 0.00 0.00 174.74 171.48 1i5p s SER 334 N 1.90 2.32 -0.33 1.40 1.04 -0.08 -2.41 113.70 117.53 1i5p s SER 334 Ca 0.07 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.48 1i5p s SER 334 Cb -0.19 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.90 1i5p s SER 334 CO 0.10 -0.21 0.06 -0.22 0.98 0.00 0.00 173.24 173.95 1i5p s LEU 335 N -3.20 4.31 0.16 2.42 2.96 -1.26 -0.20 118.68 123.87 1i5p s LEU 335 Ca 0.20 -1.53 0.19 0.00 -0.22 0.00 0.00 54.13 52.76 1i5p s LEU 335 Cb -0.00 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1i5p s LEU 335 CO 0.05 -0.34 1.03 0.78 -1.32 0.00 0.00 176.35 176.54 1i5p h ASN 336 N 7.98 0.00 -4.95 3.68 4.21 -1.07 0.16 115.58 125.59 1i5p h ASN 336 Ca -0.18 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.24 1i5p h ASN 336 Cb 1.05 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 38.06 1i5p h ASN 336 CO 0.57 0.33 -0.08 -0.55 -1.29 0.00 0.00 177.43 176.41 1i5p s SER 337 N -5.75 -0.39 0.07 5.81 0.15 -1.24 -1.13 113.70 111.22 1i5p s SER 337 Ca -0.01 0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.80 1i5p s SER 337 Cb 0.09 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.88 1i5p s SER 337 CO 0.79 -0.50 0.52 0.00 1.20 0.00 0.00 173.24 175.25 1i5p s ALA 338 N -1.21 -1.34 -0.19 5.45 0.00 0.51 -0.67 121.76 124.32 1i5p s ALA 338 Ca -0.12 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 1i5p s ALA 338 Cb -0.03 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.63 1i5p s ALA 338 CO 0.06 -0.56 0.49 0.50 0.00 0.00 0.00 175.76 176.26 1i5p s ARG 339 N -2.77 0.52 0.09 0.00 3.52 -0.31 0.65 118.95 120.66 1i5p s ARG 339 Ca -0.03 0.82 -0.20 0.00 -0.13 0.00 0.00 55.73 56.19 1i5p s ARG 339 Cb -0.00 0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.44 1i5p s ARG 339 CO -0.04 -0.12 0.60 0.08 -0.81 0.00 0.00 175.30 175.01 1i5p s VAL 340 N 0.98 4.69 0.10 7.11 1.01 -1.26 -0.89 120.40 132.13 1i5p s VAL 340 Ca -0.06 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.25 1i5p s VAL 340 Cb -0.06 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1i5p s VAL 340 CO -0.09 0.52 -0.13 0.20 0.00 0.00 0.00 175.10 175.60 1i5p s ASN 341 N -1.17 4.17 0.18 3.32 0.01 0.21 -1.22 114.94 120.44 1i5p s ASN 341 Ca 0.31 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1i5p s ASN 341 Cb -0.20 -0.73 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 1i5p s ASN 341 CO 0.20 0.19 0.07 -0.31 -1.51 0.00 0.00 177.10 175.74 1i5p s TYR 342 N -1.15 1.15 0.64 2.20 1.51 0.70 -0.91 117.35 121.50 1i5p s TYR 342 Ca 0.19 -1.21 -0.18 0.00 -1.01 0.00 0.00 57.07 54.86 1i5p s TYR 342 Cb -0.11 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1i5p s TYR 342 CO 0.11 -0.44 1.26 -1.12 -1.11 0.00 0.00 175.55 174.25 1i5p s SER 343 N -3.16 4.73 0.00 2.29 0.01 -0.38 -2.72 113.70 114.47 1i5p s SER 343 Ca 0.30 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.08 1i5p s SER 343 Cb 0.07 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1i5p s SER 343 CO 0.07 -1.91 0.00 0.61 0.41 0.00 0.00 173.24 172.42 1i5p n GLY 344 N 0.72 0.76 2.07 3.44 0.00 -1.26 -3.75 105.19 107.16 1i5p n GLY 344 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 1i5p n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5p n GLY 345 N -2.28 0.47 3.81 -0.02 0.00 -1.10 -4.88 105.19 101.19 1i5p n GLY 345 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1i5p n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i5p s VAL 346 N -1.93 4.29 0.06 1.61 1.01 -1.17 -4.89 120.40 119.38 1i5p s VAL 346 Ca 0.00 1.49 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 1i5p s VAL 346 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1i5p s VAL 346 CO 0.00 -0.25 -0.04 -0.44 0.00 0.00 0.00 175.10 174.37 1i5p s SER 347 N -2.08 0.65 0.70 3.32 0.01 -1.26 -0.21 113.70 114.83 1i5p s SER 347 Ca 0.61 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1i5p s SER 347 Cb -0.11 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1i5p s SER 347 CO 0.15 -0.55 0.00 -1.54 0.41 0.00 0.00 173.24 171.71 1i5p n SER 348 N 0.13 0.00 -4.92 2.44 3.41 -0.36 -5.00 113.62 109.32 1i5p n SER 348 Ca -0.14 -0.88 -0.27 0.00 -0.26 0.00 0.00 58.87 57.32 1i5p n SER 348 Cb 0.61 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.62 1i5p n SER 348 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i5p s GLY 349 N -2.59 1.66 0.52 5.00 0.00 -1.26 -4.75 107.32 105.89 1i5p s GLY 349 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 1i5p s GLY 349 CO 0.00 -0.41 1.04 1.08 0.00 0.00 0.00 173.10 174.81 1i5p s LEU 350 N -5.25 3.73 -0.10 0.66 1.43 -1.26 -4.54 118.68 113.35 1i5p s LEU 350 Ca 0.59 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.59 1i5p s LEU 350 Cb -0.11 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.57 1i5p s LEU 350 CO 0.46 -0.88 -0.19 -0.63 0.23 0.00 0.00 176.35 175.34 1i5p s ILE 351 N -2.15 1.70 0.00 -0.59 1.01 0.21 -2.44 121.20 118.94 1i5p s ILE 351 Ca 0.66 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1i5p s ILE 351 Cb -0.16 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1i5p s ILE 351 CO 0.25 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1i5p n GLY 352 N 3.83 0.40 3.76 6.18 0.00 -1.10 -0.36 105.19 117.91 1i5p n GLY 352 Ca -0.20 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1i5p n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5p s ALA 353 N -1.83 3.58 -1.63 4.61 0.00 -0.28 -4.37 121.76 121.84 1i5p s ALA 353 Ca 0.00 1.41 0.15 0.00 0.00 0.00 0.00 51.96 53.52 1i5p s ALA 353 Cb 0.00 -3.56 0.25 0.00 0.00 0.00 0.00 23.12 19.81 1i5p s ALA 353 CO 0.00 -0.83 1.14 0.25 0.00 0.00 0.00 175.76 176.32 1i5p n THR 354 N 1.20 0.43 -1.52 0.00 -2.24 -1.26 -4.46 114.28 106.43 1i5p n THR 354 Ca 0.03 -0.72 0.05 0.00 -2.27 0.00 0.00 64.05 61.14 1i5p n THR 354 Cb 0.40 0.96 0.20 0.00 -2.10 0.00 0.00 70.33 69.79 1i5p n THR 354 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1i5p n ASN 355 N 0.87 1.88 -4.16 3.42 2.04 -1.26 -5.02 115.26 113.03 1i5p n ASN 355 Ca 0.12 -3.80 -0.23 0.00 -0.44 0.00 0.00 54.58 50.23 1i5p n ASN 355 Cb 0.43 -0.53 -0.14 0.00 -2.53 0.00 0.00 39.78 37.00 1i5p n ASN 355 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1i5p s LEU 356 N -3.20 2.10 0.15 -4.53 1.43 -1.26 -5.08 118.68 108.29 1i5p s LEU 356 Ca 0.38 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.84 1i5p s LEU 356 Cb 0.36 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.73 1i5p s LEU 356 CO -0.05 0.14 0.83 0.20 0.23 0.00 0.00 176.35 177.70 1i5p s ASN 357 N -0.74 7.42 0.20 2.29 0.01 -1.26 -4.97 114.94 117.89 1i5p s ASN 357 Ca 0.05 1.69 -0.30 0.00 -0.71 0.00 0.00 52.86 53.59 1i5p s ASN 357 Cb -0.07 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 38.98 1i5p s ASN 357 CO 0.00 0.13 0.99 -1.00 -1.51 0.00 0.00 177.10 175.72 1i5p s HIS 358 N -0.81 3.82 -0.23 2.20 3.76 -1.26 -4.64 115.29 118.12 1i5p s HIS 358 Ca 0.39 1.81 0.16 0.00 -0.15 0.00 0.00 55.06 57.27 1i5p s HIS 358 Cb -0.23 -3.09 0.48 0.00 1.11 0.00 0.00 32.58 30.85 1i5p s HIS 358 CO 0.27 0.08 1.38 0.27 -0.85 0.00 0.00 174.74 175.89 1i5p n ASN 359 N 1.92 3.64 -3.56 1.40 0.23 0.33 -4.89 115.26 114.34 1i5p n ASN 359 Ca -0.00 -2.93 -0.13 0.00 -0.53 0.00 0.00 54.58 50.99 1i5p n ASN 359 Cb 0.47 -0.50 -0.05 0.00 -2.08 0.00 0.00 39.78 37.62 1i5p n ASN 359 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1i5p s PHE 360 N -2.66 -0.46 -0.09 -2.53 -0.12 -1.12 -4.93 117.98 106.07 1i5p s PHE 360 Ca 0.39 0.77 -0.01 0.00 -0.05 0.00 0.00 56.93 58.04 1i5p s PHE 360 Cb 0.31 0.44 0.03 0.00 -0.63 0.00 0.00 43.02 43.17 1i5p s PHE 360 CO 0.09 -0.43 -0.04 -0.80 -0.05 0.00 0.00 175.22 173.99 1i5p s ASN 361 N -1.18 1.79 -0.24 1.98 -0.87 -1.26 -1.92 114.94 113.24 1i5p s ASN 361 Ca -0.04 -0.19 -0.02 0.00 -1.57 0.00 0.00 52.86 51.04 1i5p s ASN 361 Cb -0.00 -0.62 0.02 0.00 -0.02 0.00 0.00 41.25 40.62 1i5p s ASN 361 CO 0.04 -0.14 -0.06 0.00 -2.57 0.00 0.00 177.10 174.36 1i5p s SER 363 N 1.35 1.09 -0.67 0.00 1.04 -1.26 0.98 113.70 116.23 1i5p s SER 363 Ca 0.01 -1.55 -0.27 0.00 0.48 0.00 0.00 55.95 54.62 1i5p s SER 363 Cb -0.16 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1i5p s SER 363 CO -0.05 -1.26 1.23 0.42 0.98 0.00 0.00 173.24 174.57 1i5p s THR 364 N -3.10 3.86 0.26 2.02 -4.23 -0.57 -4.18 115.64 109.70 1i5p s THR 364 Ca 0.33 0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 1i5p s THR 364 Cb 0.00 -4.83 0.37 0.00 1.34 0.00 0.00 72.50 69.38 1i5p s THR 364 CO 0.22 -1.63 1.59 1.62 -0.54 0.00 0.00 174.62 175.88 1i5p h VAL 365 N 6.08 0.14 -3.88 2.29 3.04 -1.86 -2.61 116.25 119.45 1i5p h VAL 365 Ca -0.27 -0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 64.96 1i5p h VAL 365 Cb 1.05 0.13 0.14 0.00 -2.01 0.00 0.00 31.29 30.60 1i5p h VAL 365 CO 1.24 0.00 0.37 -0.76 -1.01 0.00 0.00 177.57 177.41 1i5p s LEU 366 N -11.06 2.72 -0.02 3.16 1.43 -1.23 -3.22 118.68 110.46 1i5p s LEU 366 Ca -0.14 0.29 -0.37 0.00 -1.03 0.00 0.00 54.13 52.87 1i5p s LEU 366 Cb 0.25 -2.48 -0.16 0.00 0.03 0.00 0.00 46.19 43.83 1i5p s LEU 366 CO 0.77 -2.42 1.50 -2.65 0.23 0.00 0.00 176.35 173.77 1i5p n PRO 367 N -3.53 1.29 0.16 1.29 -0.02 -1.23 -3.96 135.00 128.99 1i5p n PRO 367 Ca 0.14 0.47 0.19 0.00 -2.02 0.00 0.00 63.50 62.27 1i5p n PRO 367 Cb 0.60 -2.14 0.74 0.00 -0.02 0.00 0.00 33.50 32.67 1i5p n PRO 367 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1i5p h PRO 368 N 5.63 0.00 0.00 0.52 0.13 -0.91 0.89 132.00 138.26 1i5p h PRO 368 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1i5p h PRO 368 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1i5p h PRO 368 CO 0.85 0.00 -1.36 1.28 -0.23 0.00 0.00 178.00 178.54 1i5p n LEU 369 N -3.43 0.68 0.08 1.56 4.77 -1.17 -3.08 117.00 116.41 1i5p n LEU 369 Ca 0.05 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.09 1i5p n LEU 369 Cb 0.59 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.56 1i5p n LEU 369 CO 0.23 -0.02 -0.02 0.77 -1.33 0.00 0.00 177.39 177.01 1i5p h SER 370 N 0.00 0.70 -2.09 -1.43 4.64 -0.85 -3.40 113.55 111.12 1i5p h SER 370 Ca -0.08 -0.87 -0.57 0.00 -0.47 0.00 0.00 61.79 59.79 1i5p h SER 370 Cb 1.25 -0.22 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 1i5p h SER 370 CO 0.02 1.51 -0.93 0.35 -0.87 0.00 0.00 176.83 176.91 1i5p n THR 371 N -3.94 0.32 -1.07 2.95 -2.24 -0.63 -4.55 114.28 105.11 1i5p n THR 371 Ca -0.14 -4.40 -0.30 0.00 -2.27 0.00 0.00 64.05 56.94 1i5p n THR 371 Cb 0.92 -2.00 0.14 0.00 -2.10 0.00 0.00 70.33 67.29 1i5p n THR 371 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1i5p s PRO 372 N -1.57 1.25 0.37 -0.78 0.04 -1.18 -4.42 135.00 128.71 1i5p s PRO 372 Ca 0.36 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1i5p s PRO 372 Cb 0.16 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 1i5p s PRO 372 CO -0.08 -2.30 1.06 -0.06 0.04 0.00 0.00 177.00 175.65 1i5p s PHE 373 N -2.83 3.37 0.00 0.56 0.40 -1.26 -1.19 117.98 117.03 1i5p s PHE 373 Ca 0.64 1.67 0.00 0.00 -0.60 0.00 0.00 56.93 58.64 1i5p s PHE 373 Cb -0.19 -3.15 0.00 0.00 0.51 0.00 0.00 43.02 40.18 1i5p s PHE 373 CO 0.58 -0.56 0.00 1.33 0.70 0.00 0.00 175.22 177.27 1i5p n VAL 374 N 0.28 0.00 -4.41 -0.44 0.24 -0.25 -0.77 118.33 112.98 1i5p n VAL 374 Ca 0.03 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.14 1i5p n VAL 374 Cb 0.48 0.05 -0.15 0.00 -1.47 0.00 0.00 33.84 32.76 1i5p n VAL 374 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1i5p s ARG 375 N -0.55 0.80 0.09 7.34 3.52 -1.06 -4.51 118.95 124.57 1i5p s ARG 375 Ca 0.00 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1i5p s ARG 375 Cb 0.00 -0.77 -0.03 0.00 -1.56 0.00 0.00 34.95 32.58 1i5p s ARG 375 CO 0.00 0.21 -0.09 -1.54 -0.81 0.00 0.00 175.30 173.07 1i5p s SER 376 N -0.28 1.27 -0.18 -2.12 1.04 -0.75 -0.76 113.70 111.92 1i5p s SER 376 Ca 0.04 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1i5p s SER 376 Cb -0.04 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1i5p s SER 376 CO -0.00 -0.29 -0.12 0.26 0.98 0.00 0.00 173.24 174.07 1i5p s TRP 377 N -2.47 2.29 0.00 5.02 0.51 -0.44 0.65 118.94 124.50 1i5p s TRP 377 Ca 0.04 -1.42 0.00 0.00 -2.12 0.00 0.00 56.10 52.60 1i5p s TRP 377 Cb -0.03 -1.61 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 1i5p s TRP 377 CO -0.01 -0.71 0.40 1.28 -0.51 0.00 0.00 176.95 177.41 1i5p n LEU 378 N 4.73 0.80 -4.75 2.99 4.77 -1.26 -1.28 117.00 122.99 1i5p n LEU 378 Ca -0.16 -0.80 -0.33 0.00 -0.03 0.00 0.00 56.01 54.70 1i5p n LEU 378 Cb 0.48 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1i5p n LEU 378 CO 0.21 0.20 0.75 -1.81 -1.33 0.00 0.00 177.39 175.41 1i5p s ASP 379 N -0.03 4.70 0.33 -1.43 1.01 -1.26 -3.72 116.67 116.27 1i5p s ASP 379 Ca 0.00 2.10 0.06 0.00 0.71 0.00 0.00 52.55 55.42 1i5p s ASP 379 Cb 0.00 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1i5p s ASP 379 CO 0.00 -1.91 -0.02 -0.94 0.21 0.00 0.00 175.17 172.52 1i5p s SER 380 N -2.47 3.01 0.00 0.27 1.04 0.33 -2.93 113.70 112.96 1i5p s SER 380 Ca 0.69 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1i5p s SER 380 Cb -0.23 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1i5p s SER 380 CO 0.44 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1i5p n GLY 381 N -0.72 -0.49 2.93 7.32 0.00 -0.59 -4.05 105.19 109.58 1i5p n GLY 381 Ca -0.04 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1i5p n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5p s THR 382 N -2.00 0.83 -0.09 2.61 2.01 -1.26 -0.60 115.64 117.14 1i5p s THR 382 Ca 0.00 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1i5p s THR 382 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1i5p s THR 382 CO 0.00 0.30 0.05 -1.81 -0.69 0.00 0.00 174.62 172.48 1i5p s ASP 383 N 1.09 5.66 -0.01 3.53 1.01 0.37 -4.92 116.67 123.39 1i5p s ASP 383 Ca -0.08 0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.48 1i5p s ASP 383 Cb -0.14 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 42.09 1i5p s ASP 383 CO -0.01 0.38 -0.13 -0.13 0.21 0.00 0.00 175.17 175.49 1i5p s ARG 384 N -1.01 1.12 0.26 8.23 0.52 -1.26 0.23 118.95 127.04 1i5p s ARG 384 Ca 0.15 -0.48 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1i5p s ARG 384 Cb -0.12 -1.08 -0.00 0.00 0.52 0.00 0.00 34.95 34.28 1i5p s ARG 384 CO 0.04 0.27 0.50 -1.83 0.02 0.00 0.00 175.30 174.30 1i5p s GLU 385 N -0.25 1.59 7.80 3.54 1.03 -0.10 -5.01 118.70 127.29 1i5p s GLU 385 Ca 0.04 -1.26 0.00 0.00 0.03 0.00 0.00 54.97 53.78 1i5p s GLU 385 Cb -0.06 0.48 0.00 0.00 -0.80 0.00 0.00 34.13 33.75 1i5p s GLU 385 CO -0.00 -0.67 0.00 0.41 -1.33 0.00 0.00 175.26 173.67 1i5p n GLY 386 N -0.40 3.45 0.18 -3.83 0.00 -1.26 -2.29 105.19 101.04 1i5p n GLY 386 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1i5p n GLY 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i5p n VAL 387 N 0.00 0.45 -2.00 1.61 0.31 -1.26 -4.86 118.33 112.58 1i5p n VAL 387 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1i5p n VAL 387 Cb 0.00 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1i5p n VAL 387 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5p n ALA 388 N -2.87 1.99 -2.66 3.52 0.00 -1.25 -5.05 120.51 114.20 1i5p n ALA 388 Ca -0.15 -0.82 -0.39 0.00 0.00 0.00 0.00 53.44 52.09 1i5p n ALA 388 Cb 0.64 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1i5p n ALA 388 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i5p s THR 389 N 0.00 5.06 0.08 0.00 2.01 -0.97 -4.44 115.64 117.38 1i5p s THR 389 Ca 0.00 1.23 -0.00 0.00 0.31 0.00 0.00 61.69 63.23 1i5p s THR 389 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1i5p s THR 389 CO 0.00 0.32 -0.03 -0.94 -0.69 0.00 0.00 174.62 173.28 1i5p s SER 390 N 0.48 0.64 -0.17 3.53 1.04 -0.97 -0.93 113.70 117.32 1i5p s SER 390 Ca 0.32 -1.03 -0.04 0.00 0.48 0.00 0.00 55.95 55.68 1i5p s SER 390 Cb -0.17 0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.22 1i5p s SER 390 CO 0.15 -0.59 0.21 -0.89 0.98 0.00 0.00 173.24 173.10 1i5p s THR 391 N -3.86 -0.31 -0.14 2.02 2.01 0.14 -1.80 115.64 113.70 1i5p s THR 391 Ca 0.11 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 1i5p s THR 391 Cb 0.07 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1i5p s THR 391 CO -0.07 -0.10 0.51 0.20 -0.69 0.00 0.00 174.62 174.46 1i5p s ASN 392 N 2.32 6.66 0.09 3.53 0.02 0.15 -0.48 114.94 127.23 1i5p s ASN 392 Ca 0.05 0.79 0.03 0.00 -1.02 0.00 0.00 52.86 52.72 1i5p s ASN 392 Cb -0.15 -2.30 -0.04 0.00 0.02 0.00 0.00 41.25 38.79 1i5p s ASN 392 CO -0.10 -0.07 -0.09 -1.66 0.02 0.00 0.00 177.10 175.20 1i5p s TRP 393 N 0.97 1.00 0.34 2.20 1.48 0.23 -0.36 118.94 124.80 1i5p s TRP 393 Ca 0.26 -0.67 0.06 0.00 -1.06 0.00 0.00 56.10 54.69 1i5p s TRP 393 Cb -0.15 -0.56 -0.07 0.00 -1.16 0.00 0.00 33.47 31.53 1i5p s TRP 393 CO 0.10 -0.03 0.00 -0.65 -4.06 0.00 0.00 176.95 172.32 1i5p s GLN 394 N -2.77 1.72 0.00 3.25 -0.21 -1.01 -1.55 119.66 119.09 1i5p s GLN 394 Ca 0.04 -1.93 0.00 0.00 0.02 0.00 0.00 55.36 53.49 1i5p s GLN 394 Cb -0.03 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1i5p s GLN 394 CO -0.00 -0.07 0.00 0.25 -2.12 0.00 0.00 175.29 173.35 1i5p n THR 395 N -0.74 0.00 -3.54 -0.19 -2.24 -1.15 -4.58 114.28 101.84 1i5p n THR 395 Ca -0.04 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 1i5p n THR 395 Cb 0.66 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 68.30 1i5p n THR 395 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i5p n GLU 396 N -1.39 -3.22 -4.44 -0.78 -0.58 -0.40 -1.43 120.64 108.40 1i5p n GLU 396 Ca 0.00 0.67 -0.25 0.00 -0.42 0.00 0.00 57.16 57.15 1i5p n GLU 396 Cb 0.00 -5.13 -0.11 0.00 -0.57 0.00 0.00 31.44 25.63 1i5p n GLU 396 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1i5p s SER 397 N -3.82 3.45 0.02 1.62 0.15 -0.49 -1.54 113.70 113.08 1i5p s SER 397 Ca 0.27 -0.93 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 1i5p s SER 397 Cb -0.07 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1i5p s SER 397 CO 0.80 0.08 0.02 -0.36 1.20 0.00 0.00 173.24 174.98 1i5p s PHE 398 N -2.03 0.21 0.01 3.44 0.40 0.21 -1.33 117.98 118.89 1i5p s PHE 398 Ca 0.24 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1i5p s PHE 398 Cb -0.07 -0.16 -0.01 0.00 0.51 0.00 0.00 43.02 43.30 1i5p s PHE 398 CO 0.12 -0.23 -0.09 -1.14 0.70 0.00 0.00 175.22 174.57 1i5p s GLN 399 N -1.56 0.72 0.59 0.44 0.74 0.06 -0.85 119.66 119.79 1i5p s GLN 399 Ca -0.15 -0.44 0.02 0.00 0.05 0.00 0.00 55.36 54.85 1i5p s GLN 399 Cb -0.08 -0.68 0.06 0.00 1.10 0.00 0.00 33.01 33.41 1i5p s GLN 399 CO -0.01 0.18 0.82 0.95 -0.55 0.00 0.00 175.29 176.68 1i5p s THR 400 N -0.45 2.50 0.57 -0.34 -4.23 -0.21 -1.09 115.64 112.39 1i5p s THR 400 Ca 0.01 -0.70 0.29 0.00 -1.18 0.00 0.00 61.69 60.12 1i5p s THR 400 Cb -0.05 -2.80 0.40 0.00 1.34 0.00 0.00 72.50 71.40 1i5p s THR 400 CO 0.00 0.00 1.90 0.71 -0.54 0.00 0.00 174.62 176.69 1i5p h THR 401 N -0.05 0.42 -2.98 3.99 1.35 -1.36 -3.31 112.91 110.97 1i5p h THR 401 Ca -0.39 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 64.85 1i5p h THR 401 Cb 1.29 0.61 -0.05 0.00 -1.73 0.00 0.00 68.15 68.26 1i5p h THR 401 CO 0.47 0.00 -0.23 -0.22 -0.25 0.00 0.00 175.52 175.30 1i5p s LEU 402 N -7.72 4.47 0.00 3.87 0.20 -1.26 -4.91 118.68 113.32 1i5p s LEU 402 Ca -0.04 0.92 0.00 0.00 0.69 0.00 0.00 54.13 55.70 1i5p s LEU 402 Cb 0.17 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1i5p s LEU 402 CO 0.61 0.33 0.00 -1.20 -0.29 0.00 0.00 176.35 175.80 1i5p n SER 403 N 1.82 0.00 -4.68 3.68 7.64 -1.25 -4.70 113.62 116.14 1i5p n SER 403 Ca -0.14 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 1i5p n SER 403 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1i5p n SER 403 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i5p s LEU 404 N -0.10 4.30 -0.01 -3.43 2.01 -1.26 -4.83 118.68 115.36 1i5p s LEU 404 Ca 0.00 2.10 0.06 0.00 0.01 0.00 0.00 54.13 56.31 1i5p s LEU 404 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.63 1i5p s LEU 404 CO 0.00 -0.78 -0.20 -0.60 1.01 0.00 0.00 176.35 175.77 1i5p s ARG 405 N 2.95 1.63 0.26 1.70 3.52 -1.26 -1.04 118.95 126.70 1i5p s ARG 405 Ca 0.65 -0.74 -0.13 0.00 -0.13 0.00 0.00 55.73 55.39 1i5p s ARG 405 Cb -0.31 -1.58 -0.00 0.00 -1.56 0.00 0.00 34.95 31.50 1i5p s ARG 405 CO 0.26 0.43 0.50 0.00 -0.81 0.00 0.00 175.30 175.68 1i5p n GLY 407 N -0.40 -0.31 0.07 0.00 0.00 -1.26 0.67 105.19 103.97 1i5p n GLY 407 Ca -0.02 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1i5p n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5p h ALA 408 N 0.00 -0.04 -2.53 4.61 0.00 -1.30 -3.48 119.26 116.52 1i5p h ALA 408 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1i5p h ALA 408 Cb 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 1i5p h ALA 408 CO 0.00 -0.25 -0.62 -0.06 0.00 0.00 0.00 179.25 178.32 1i5p s PHE 409 N -4.01 1.04 0.39 0.00 0.40 -0.52 -5.02 117.98 110.27 1i5p s PHE 409 Ca -0.16 -1.32 -0.24 0.00 -0.60 0.00 0.00 56.93 54.62 1i5p s PHE 409 Cb 0.01 -0.52 -0.13 0.00 0.51 0.00 0.00 43.02 42.89 1i5p s PHE 409 CO 0.65 -0.60 0.66 0.43 0.70 0.00 0.00 175.22 177.06 1i5p n SER 410 N -0.21 -0.38 -4.77 1.36 7.64 -1.26 -4.57 113.62 111.44 1i5p n SER 410 Ca -0.01 0.97 -0.39 0.00 1.01 0.00 0.00 58.87 60.45 1i5p n SER 410 Cb 0.65 -1.15 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1i5p n SER 410 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i5p s ALA 411 N -1.37 3.29 -0.14 -0.43 0.00 -1.26 -4.72 121.76 117.12 1i5p s ALA 411 Ca 0.63 0.79 -0.34 0.00 0.00 0.00 0.00 51.96 53.04 1i5p s ALA 411 Cb -0.63 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 19.34 1i5p s ALA 411 CO 0.58 -0.12 1.27 -0.98 0.00 0.00 0.00 175.76 176.50 1i5p s ARG 412 N -1.77 0.29 1.32 0.00 1.70 -1.26 -5.16 118.95 114.07 1i5p s ARG 412 Ca 0.48 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1i5p s ARG 412 Cb -0.28 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 1i5p s ARG 412 CO 0.35 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.85 1i5p n GLY 413 N -0.22 -1.87 3.76 3.88 0.00 -1.26 -4.64 105.19 104.83 1i5p n GLY 413 Ca -0.02 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1i5p n GLY 413 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i5p s ASN 414 N -4.00 6.82 0.04 1.61 0.01 -1.26 -5.02 114.94 113.14 1i5p s ASN 414 Ca 0.00 2.59 0.01 0.00 -0.71 0.00 0.00 52.86 54.75 1i5p s ASN 414 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1i5p s ASN 414 CO 0.00 -0.53 0.08 -0.94 -1.51 0.00 0.00 177.10 174.21 1i5p s SER 415 N -0.19 5.63 -0.22 -1.22 1.04 -1.26 -4.27 113.70 113.21 1i5p s SER 415 Ca 0.52 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.96 1i5p s SER 415 Cb -0.39 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 1i5p s SER 415 CO 0.47 0.22 0.06 0.20 0.98 0.00 0.00 173.24 175.17 1i5p s ASN 416 N -2.07 5.26 -0.20 7.02 0.01 0.21 -4.18 114.94 120.98 1i5p s ASN 416 Ca 0.26 -0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 52.02 1i5p s ASN 416 Cb -0.12 -1.92 0.12 0.00 0.41 0.00 0.00 41.25 39.74 1i5p s ASN 416 CO 0.18 0.05 1.00 -0.47 -1.51 0.00 0.00 177.10 176.35 1i5p s TYR 417 N 1.14 -0.42 -0.02 2.20 5.04 -1.26 -1.80 117.35 122.23 1i5p s TYR 417 Ca 0.04 0.83 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 1i5p s TYR 417 Cb -0.14 0.42 0.02 0.00 0.35 0.00 0.00 41.96 42.60 1i5p s TYR 417 CO 0.03 -0.31 0.04 -0.06 -1.34 0.00 0.00 175.55 173.91 1i5p s PHE 418 N -0.64 -0.02 0.19 4.97 0.40 -1.26 -4.86 117.98 116.76 1i5p s PHE 418 Ca -0.00 0.14 -0.32 0.00 -0.60 0.00 0.00 56.93 56.14 1i5p s PHE 418 Cb -0.02 -0.09 -0.15 0.00 0.51 0.00 0.00 43.02 43.27 1i5p s PHE 418 CO -0.01 -0.06 1.24 -2.30 0.70 0.00 0.00 175.22 174.79 1i5p n PRO 419 N 3.60 1.43 -0.94 0.24 -0.02 -1.26 -0.91 135.00 137.14 1i5p n PRO 419 Ca -0.19 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1i5p n PRO 419 Cb 0.55 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1i5p n PRO 419 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1i5p n ASP 420 N 2.06 -4.48 -4.66 2.55 8.00 -1.26 -4.97 116.55 113.78 1i5p n ASP 420 Ca 0.14 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.29 1i5p n ASP 420 Cb 0.27 -2.68 -0.10 0.00 -0.02 0.00 0.00 41.12 38.59 1i5p n ASP 420 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1i5p s TYR 421 N -1.30 3.18 0.14 1.24 1.51 -0.09 -4.32 117.35 117.72 1i5p s TYR 421 Ca 0.00 0.14 0.09 0.00 -1.01 0.00 0.00 57.07 56.28 1i5p s TYR 421 Cb 0.00 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1i5p s TYR 421 CO 0.00 0.38 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.63 1i5p s PHE 422 N -0.59 2.61 -0.82 2.71 0.40 0.68 -4.62 117.98 118.35 1i5p s PHE 422 Ca 0.10 -0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 55.97 1i5p s PHE 422 Cb -0.12 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.14 1i5p s PHE 422 CO 0.02 0.45 1.23 0.42 0.70 0.00 0.00 175.22 178.05 1i5p s ILE 423 N -1.42 4.05 -1.46 0.64 1.01 0.05 -0.54 121.20 123.54 1i5p s ILE 423 Ca 0.22 -0.35 0.27 0.00 0.00 0.00 0.00 60.65 60.79 1i5p s ILE 423 Cb -0.10 -4.89 0.27 0.00 0.01 0.00 0.00 42.46 37.75 1i5p s ILE 423 CO 0.13 -1.74 1.67 0.54 0.00 0.00 0.00 174.94 175.53 1i5p n ARG 424 N 8.49 0.50 -3.46 2.79 5.12 -0.26 -4.38 116.66 125.46 1i5p n ARG 424 Ca 0.12 -0.23 -0.14 0.00 -1.93 0.00 0.00 57.85 55.67 1i5p n ARG 424 Cb 0.49 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.26 1i5p n ARG 424 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1i5p s ASN 425 N -2.66 -0.60 0.02 0.55 2.47 -1.17 -4.37 114.94 109.17 1i5p s ASN 425 Ca 0.22 0.28 0.04 0.00 0.42 0.00 0.00 52.86 53.81 1i5p s ASN 425 Cb 0.19 0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 40.55 1i5p s ASN 425 CO 0.55 -0.82 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.37 1i5p s ILE 426 N -2.73 0.84 0.00 -5.21 1.01 -1.26 -0.51 121.20 113.34 1i5p s ILE 426 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1i5p s ILE 426 Cb -0.01 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1i5p s ILE 426 CO -0.04 0.04 0.00 -0.24 0.00 0.00 0.00 174.94 174.70 1i5p n SER 427 N 2.27 0.00 0.00 3.58 2.88 0.59 -4.85 113.62 118.09 1i5p n SER 427 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1i5p n SER 427 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1i5p n SER 427 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i5p n GLY 428 N 0.00 0.66 3.04 0.46 0.00 -1.26 -0.18 105.19 107.92 1i5p n GLY 428 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1i5p n GLY 428 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i5p s VAL 429 N -2.00 0.22 0.86 1.61 -7.23 0.81 -4.90 120.40 109.77 1i5p s VAL 429 Ca 0.00 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1i5p s VAL 429 Cb 0.00 -0.90 0.15 0.00 0.56 0.00 0.00 36.38 36.19 1i5p s VAL 429 CO 0.00 -0.72 1.20 -2.16 -0.31 0.00 0.00 175.10 173.11 1i5p s PRO 430 N -2.63 1.25 0.25 4.82 0.04 -1.26 -0.25 135.00 137.22 1i5p s PRO 430 Ca -0.04 -0.43 -0.03 0.00 0.04 0.00 0.00 61.00 60.54 1i5p s PRO 430 Cb -0.02 -1.99 0.46 0.00 0.04 0.00 0.00 34.50 32.99 1i5p s PRO 430 CO -0.05 -1.95 1.78 1.25 0.04 0.00 0.00 177.00 178.07 1i5p h LEU 431 N -1.21 0.55 -7.58 -3.56 5.85 -1.95 -3.39 115.31 104.03 1i5p h LEU 431 Ca -0.43 0.07 -0.44 0.00 0.84 0.00 0.00 57.88 57.92 1i5p h LEU 431 Cb 1.27 -0.02 -0.37 0.00 0.37 0.00 0.00 40.66 41.91 1i5p h LEU 431 CO 0.46 0.27 -0.77 -0.69 -0.34 0.00 0.00 178.44 177.37 1i5p s VAL 432 N -6.00 0.52 -0.15 1.05 1.01 -1.26 -4.48 120.40 111.08 1i5p s VAL 432 Ca -0.12 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1i5p s VAL 432 Cb 0.20 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1i5p s VAL 432 CO 0.78 0.27 0.51 -0.63 0.00 0.00 0.00 175.10 176.02 1i5p s ILE 433 N 1.67 5.14 0.57 2.22 1.01 -1.26 -3.88 121.20 126.68 1i5p s ILE 433 Ca 0.01 0.98 -0.21 0.00 0.00 0.00 0.00 60.65 61.43 1i5p s ILE 433 Cb -0.13 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1i5p s ILE 433 CO -0.04 0.25 1.32 -0.13 0.00 0.00 0.00 174.94 176.34 1i5p s ARG 434 N 1.09 3.01 0.50 2.79 0.52 -1.26 -4.84 118.95 120.76 1i5p s ARG 434 Ca 0.26 2.12 0.24 0.00 -0.52 0.00 0.00 55.73 57.83 1i5p s ARG 434 Cb -0.15 -2.13 1.31 0.00 0.52 0.00 0.00 34.95 34.50 1i5p s ARG 434 CO 0.10 -1.26 2.04 -0.91 0.02 0.00 0.00 175.30 175.30 1i5p h ASN 435 N 1.21 0.00 0.25 0.23 2.35 -1.98 -0.72 115.58 116.92 1i5p h ASN 435 Ca -0.51 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.20 1i5p h ASN 435 Cb 1.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 1i5p h ASN 435 CO 0.56 0.15 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.98 1i5p h GLU 436 N 0.00 0.00 0.13 0.81 3.07 -1.99 -1.01 114.58 115.59 1i5p h GLU 436 Ca -0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 1i5p h GLU 436 Cb 0.36 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1i5p h GLU 436 CO 0.02 0.18 -1.29 -0.44 -1.40 0.00 0.00 179.01 176.08 1i5p h ASP 437 N 0.00 0.44 0.02 1.42 3.32 -1.51 -3.29 116.42 116.82 1i5p h ASP 437 Ca -0.00 -0.88 -0.00 0.00 0.02 0.00 0.00 57.03 56.16 1i5p h ASP 437 Cb 0.35 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1i5p h ASP 437 CO 0.02 1.58 -0.01 -0.07 -1.72 0.00 0.00 179.24 179.05 1i5p h LEU 438 N -0.28 0.00 -0.04 1.55 3.38 -1.04 -1.24 115.31 117.64 1i5p h LEU 438 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1i5p h LEU 438 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1i5p h LEU 438 CO 0.10 0.01 -0.41 1.07 0.09 0.00 0.00 178.44 179.30 1i5p n THR 439 N -3.82 0.00 -3.77 0.22 5.66 -0.41 -4.61 114.28 107.55 1i5p n THR 439 Ca -0.03 -0.01 -0.30 0.00 -3.05 0.00 0.00 64.05 60.66 1i5p n THR 439 Cb 0.09 0.15 -0.13 0.00 -1.55 0.00 0.00 70.33 68.89 1i5p n THR 439 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1i5p s ARG 440 N -2.95 1.46 0.51 1.09 0.52 -0.47 -5.09 118.95 114.02 1i5p s ARG 440 Ca 0.13 -2.17 -0.22 0.00 -0.52 0.00 0.00 55.73 52.95 1i5p s ARG 440 Cb 0.18 -2.58 -0.07 0.00 0.52 0.00 0.00 34.95 33.01 1i5p s ARG 440 CO 0.66 -1.15 1.24 -2.30 0.02 0.00 0.00 175.30 173.76 1i5p n PRO 441 N 3.42 1.58 -2.32 3.54 -0.02 -1.26 -4.90 135.00 135.04 1i5p n PRO 441 Ca 0.08 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1i5p n PRO 441 Cb 0.34 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1i5p n PRO 441 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i5p s LEU 442 N -2.49 3.63 0.75 2.45 1.02 -1.26 -5.03 118.68 117.74 1i5p s LEU 442 Ca 0.69 1.71 -0.01 0.00 0.02 0.00 0.00 54.13 56.54 1i5p s LEU 442 Cb -0.45 -4.53 0.14 0.00 0.02 0.00 0.00 46.19 41.38 1i5p s LEU 442 CO 0.52 -0.79 1.03 -1.38 0.02 0.00 0.00 176.35 175.74 1i5p s HIS 443 N -2.46 1.33 -0.09 0.29 -3.43 -1.26 -4.74 115.29 104.94 1i5p s HIS 443 Ca 0.62 -0.34 -0.37 0.00 -0.80 0.00 0.00 55.06 54.18 1i5p s HIS 443 Cb -0.13 -3.03 -0.14 0.00 -1.43 0.00 0.00 32.58 27.85 1i5p s HIS 443 CO 0.30 -1.86 1.71 0.98 -2.00 0.00 0.00 174.74 173.87 1i5p n TYR 444 N -2.92 2.10 -2.73 0.38 9.36 0.16 -1.60 117.16 121.91 1i5p n TYR 444 Ca 0.16 0.32 -0.14 0.00 3.32 0.00 0.00 57.90 61.56 1i5p n TYR 444 Cb 0.61 -2.53 -0.00 0.00 -0.63 0.00 0.00 39.34 36.79 1i5p n TYR 444 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1i5p n ASN 445 N 5.11 -3.39 -4.73 2.98 5.03 -1.26 -4.82 115.26 114.18 1i5p n ASN 445 Ca 0.22 0.07 -0.42 0.00 0.87 0.00 0.00 54.58 55.33 1i5p n ASN 445 Cb 0.22 -2.88 -0.03 0.00 -1.02 0.00 0.00 39.78 36.07 1i5p n ASN 445 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1i5p s GLN 446 N -5.32 4.39 -0.49 3.52 0.74 -0.63 -4.84 119.66 117.04 1i5p s GLN 446 Ca 0.12 2.02 -0.14 0.00 0.05 0.00 0.00 55.36 57.40 1i5p s GLN 446 Cb -0.06 -3.22 0.09 0.00 1.10 0.00 0.00 33.01 30.92 1i5p s GLN 446 CO 0.15 -0.27 0.41 0.42 -0.55 0.00 0.00 175.29 175.44 1i5p s ILE 447 N 0.36 5.02 -0.01 -2.34 -1.09 -1.26 -4.82 121.20 117.06 1i5p s ILE 447 Ca 0.58 -1.29 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1i5p s ILE 447 Cb -0.36 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1i5p s ILE 447 CO 0.36 -0.67 -0.10 -0.60 -1.23 0.00 0.00 174.94 172.70 1i5p s ARG 448 N 1.58 0.84 -0.21 2.79 3.52 -1.26 -4.95 118.95 121.26 1i5p s ARG 448 Ca 0.04 -0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.03 1i5p s ARG 448 Cb -0.26 -0.80 -0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1i5p s ARG 448 CO 0.04 0.18 0.95 -0.80 -0.81 0.00 0.00 175.30 174.86 1i5p s ASN 449 N -0.11 7.02 -0.60 -2.12 0.01 -1.26 -4.38 114.94 113.50 1i5p s ASN 449 Ca 0.02 1.27 -0.13 0.00 -0.71 0.00 0.00 52.86 53.31 1i5p s ASN 449 Cb -0.05 -2.50 0.15 0.00 0.41 0.00 0.00 41.25 39.26 1i5p s ASN 449 CO -0.00 -0.56 0.52 -0.63 -1.51 0.00 0.00 177.10 174.93 1i5p s ILE 450 N 2.79 4.96 0.29 0.60 -1.09 -1.02 -4.97 121.20 122.76 1i5p s ILE 450 Ca 0.41 -1.91 0.11 0.00 -2.23 0.00 0.00 60.65 57.03 1i5p s ILE 450 Cb -0.16 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 1i5p s ILE 450 CO 0.09 -0.89 -0.14 -0.70 -1.23 0.00 0.00 174.94 172.07 1i5p s GLU 451 N 1.07 1.82 0.60 2.79 2.12 -1.26 -2.70 118.70 123.13 1i5p s GLU 451 Ca 0.08 -1.75 -0.18 0.00 0.36 0.00 0.00 54.97 53.48 1i5p s GLU 451 Cb -0.23 -1.83 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 1i5p s GLU 451 CO -0.01 0.29 1.20 -1.12 -0.54 0.00 0.00 175.26 175.07 1i5p s SER 452 N -3.56 5.16 0.68 -1.70 0.01 -1.25 -4.45 113.70 108.58 1i5p s SER 452 Ca 0.31 2.35 -0.17 0.00 1.31 0.00 0.00 55.95 59.75 1i5p s SER 452 Cb -0.04 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1i5p s SER 452 CO 0.16 -1.61 1.22 -2.65 0.41 0.00 0.00 173.24 170.77 1i5p n PRO 453 N -1.69 0.90 -1.69 12.44 -0.02 -1.26 -4.45 135.00 139.23 1i5p n PRO 453 Ca 0.13 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1i5p n PRO 453 Cb 0.50 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1i5p n PRO 453 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i5p n SER 454 N -2.00 2.40 0.00 2.55 7.64 -1.26 -1.98 113.62 120.97 1i5p n SER 454 Ca 0.15 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1i5p n SER 454 Cb 0.48 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1i5p n SER 454 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i5p n GLY 455 N 0.85 0.62 0.00 0.23 0.00 -1.26 -4.82 105.19 100.81 1i5p n GLY 455 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1i5p n GLY 455 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i5p n THR 456 N -2.02 0.00 0.00 2.61 -1.04 -0.84 -5.10 114.28 107.89 1i5p n THR 456 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1i5p n THR 456 Cb 0.00 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1i5p n THR 456 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i5p n PRO 457 N -0.50 0.47 0.00 -2.82 -0.04 -1.21 -4.33 135.00 126.58 1i5p n PRO 457 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1i5p n PRO 457 Cb 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1i5p n PRO 457 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i5p n GLY 458 N 5.00 2.28 0.00 0.55 0.00 -1.26 -3.63 105.19 108.13 1i5p n GLY 458 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1i5p n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i5p n GLY 459 N 0.00 0.00 7.00 -0.02 0.00 -1.26 -4.74 105.19 106.16 1i5p n GLY 459 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i5p n GLY 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5p n ALA 460 N -2.43 0.00 -2.84 4.61 0.00 -1.24 -4.04 120.51 114.57 1i5p n ALA 460 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1i5p n ALA 460 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1i5p n ALA 460 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i5p s ARG 461 N 0.00 0.49 -0.13 0.00 1.81 -1.25 -4.35 118.95 115.52 1i5p s ARG 461 Ca 0.00 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.35 1i5p s ARG 461 Cb 0.00 0.19 0.02 0.00 -0.45 0.00 0.00 34.95 34.71 1i5p s ARG 461 CO 0.00 -0.11 -0.12 0.00 -0.68 0.00 0.00 175.30 174.39 1i5p s ALA 462 N -2.09 1.62 -0.28 2.13 0.00 0.58 -3.27 121.76 120.45 1i5p s ALA 462 Ca -0.10 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1i5p s ALA 462 Cb -0.05 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.18 1i5p s ALA 462 CO -0.02 -0.32 -0.04 0.71 0.00 0.00 0.00 175.76 176.09 1i5p s TYR 463 N 1.44 3.23 0.55 0.00 1.51 0.65 -4.72 117.35 120.02 1i5p s TYR 463 Ca 0.02 -1.95 -0.17 0.00 -1.01 0.00 0.00 57.07 53.97 1i5p s TYR 463 Cb -0.13 -2.05 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1i5p s TYR 463 CO -0.08 -0.81 1.03 -0.51 -1.11 0.00 0.00 175.55 174.07 1i5p s LEU 464 N 1.22 3.59 -0.09 -1.29 1.43 -1.26 -0.14 118.68 122.14 1i5p s LEU 464 Ca -0.05 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 1i5p s LEU 464 Cb -0.19 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.51 1i5p s LEU 464 CO -0.03 -0.92 -0.15 -0.69 0.23 0.00 0.00 176.35 174.79 1i5p s VAL 465 N -2.45 1.40 -0.10 -1.59 1.01 0.75 -4.36 120.40 115.06 1i5p s VAL 465 Ca 0.62 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1i5p s VAL 465 Cb -0.14 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1i5p s VAL 465 CO 0.33 0.42 0.29 -0.94 0.00 0.00 0.00 175.10 175.20 1i5p s SER 466 N 0.85 6.55 -0.32 3.32 1.04 -0.59 -0.30 113.70 124.24 1i5p s SER 466 Ca -0.10 0.65 -0.08 0.00 0.48 0.00 0.00 55.95 56.90 1i5p s SER 466 Cb -0.15 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1i5p s SER 466 CO 0.01 0.25 0.12 -0.69 0.98 0.00 0.00 173.24 173.92 1i5p s VAL 467 N -0.43 4.14 -0.16 5.02 1.01 0.33 -1.68 120.40 128.64 1i5p s VAL 467 Ca 0.18 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1i5p s VAL 467 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1i5p s VAL 467 CO 0.07 -0.05 0.10 -1.00 0.00 0.00 0.00 175.10 174.22 1i5p s HIS 468 N 1.50 3.39 0.01 5.22 3.76 -0.12 -1.11 115.29 127.95 1i5p s HIS 468 Ca 0.02 0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.08 1i5p s HIS 468 Cb -0.18 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.49 1i5p s HIS 468 CO 0.04 0.38 0.30 1.21 -0.85 0.00 0.00 174.74 175.82 1i5p s ASN 469 N -0.12 -0.14 0.44 1.40 3.84 0.30 -1.00 114.94 119.66 1i5p s ASN 469 Ca 0.09 -0.06 0.24 0.00 0.21 0.00 0.00 52.86 53.33 1i5p s ASN 469 Cb -0.12 0.33 0.89 0.00 -0.55 0.00 0.00 41.25 41.80 1i5p s ASN 469 CO 0.01 -0.52 1.81 0.03 -2.79 0.00 0.00 177.10 175.64 1i5p h ARG 470 N 3.59 0.00 -4.33 0.43 3.08 -1.85 0.19 114.38 115.49 1i5p h ARG 470 Ca -0.31 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.14 1i5p h ARG 470 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.26 1i5p h ARG 470 CO 0.43 0.22 0.27 1.17 -1.07 0.00 0.00 179.97 180.99 1i5p n LYS 471 N -3.37 0.00 0.00 0.04 3.00 -1.25 -4.78 118.16 111.80 1i5p n LYS 471 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1i5p n LYS 471 Cb 0.44 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1i5p n LYS 471 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1i5p n ASN 472 N 1.99 0.00 -3.47 3.14 5.15 -1.26 -4.78 115.26 116.03 1i5p n ASN 472 Ca 0.18 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.77 1i5p n ASN 472 Cb 0.01 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 1i5p n ASN 472 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1i5p n ASN 473 N -0.08 6.46 -4.34 1.20 6.94 -1.10 -4.49 115.26 119.85 1i5p n ASN 473 Ca 0.00 -2.65 -0.37 0.00 -0.02 0.00 0.00 54.58 51.53 1i5p n ASN 473 Cb 0.00 -1.54 -0.12 0.00 -2.36 0.00 0.00 39.78 35.75 1i5p n ASN 473 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1i5p s ILE 474 N 2.76 4.00 0.05 1.53 1.01 -1.26 -0.57 121.20 128.72 1i5p s ILE 474 Ca 0.59 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 60.26 1i5p s ILE 474 Cb 0.16 -3.09 -0.17 0.00 0.01 0.00 0.00 42.46 39.37 1i5p s ILE 474 CO -0.06 0.04 1.55 0.22 0.00 0.00 0.00 174.94 176.69 1i5p h TYR 475 N 8.25 -0.12 -2.19 3.97 3.20 -0.86 -3.43 116.97 125.78 1i5p h TYR 475 Ca -0.30 -0.00 0.31 0.00 3.14 0.00 0.00 58.73 61.87 1i5p h TYR 475 Cb 1.12 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.37 1i5p h TYR 475 CO 0.61 0.06 0.84 0.00 -1.64 0.00 0.00 178.16 178.04 1i5p s ALA 476 N -5.54 -2.30 0.08 1.82 0.00 -1.25 -0.37 121.76 114.20 1i5p s ALA 476 Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1i5p s ALA 476 Cb 0.04 0.86 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 1i5p s ALA 476 CO 0.65 -1.13 0.70 0.00 0.00 0.00 0.00 175.76 175.98 1i5p s ALA 477 N -2.06 3.46 0.98 0.00 0.00 -1.26 -1.78 121.76 121.10 1i5p s ALA 477 Ca 0.28 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.31 1i5p s ALA 477 Cb -0.01 -2.87 0.18 0.00 0.00 0.00 0.00 23.12 20.42 1i5p s ALA 477 CO 0.00 0.22 1.14 1.21 0.00 0.00 0.00 175.76 178.33 1i5p s ASN 478 N -0.62 2.89 0.58 0.00 3.84 0.23 -4.85 114.94 117.01 1i5p s ASN 478 Ca 0.34 0.91 0.27 0.00 0.21 0.00 0.00 52.86 54.59 1i5p s ASN 478 Cb -0.21 -1.42 1.64 0.00 -0.55 0.00 0.00 41.25 40.71 1i5p s ASN 478 CO 0.22 -2.93 2.15 1.05 -2.79 0.00 0.00 177.10 174.80 1i5p h GLU 479 N -1.76 0.00 -0.12 0.43 4.11 -1.97 -0.51 114.58 114.76 1i5p h GLU 479 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1i5p h GLU 479 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1i5p h GLU 479 CO 0.55 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.90 1i5p n ASN 480 N -3.96 1.77 0.00 3.06 6.94 -1.26 -4.88 115.26 116.93 1i5p n ASN 480 Ca 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 1i5p n ASN 480 Cb 0.24 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1i5p n ASN 480 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i5p n GLY 481 N 1.18 0.32 3.94 4.83 0.00 -0.20 -4.60 105.19 110.67 1i5p n GLY 481 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1i5p n GLY 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i5p s THR 482 N -2.11 2.31 0.21 2.61 -4.23 -1.26 -2.81 115.64 110.36 1i5p s THR 482 Ca 0.00 -0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 1i5p s THR 482 Cb 0.00 -2.97 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 1i5p s THR 482 CO 0.00 0.00 1.22 -0.04 -0.54 0.00 0.00 174.62 175.26 1i5p s MET 483 N -5.19 4.48 -0.24 3.99 -1.94 -0.87 0.77 119.30 120.29 1i5p s MET 483 Ca 0.61 1.94 -0.05 0.00 -1.71 0.00 0.00 55.69 56.47 1i5p s MET 483 Cb -0.10 -3.21 -0.01 0.00 2.01 0.00 0.00 34.83 33.52 1i5p s MET 483 CO 0.44 -0.09 0.01 0.42 -0.01 0.00 0.00 175.02 175.79 1i5p s ILE 484 N -0.26 3.74 0.09 2.53 1.01 -0.73 -4.63 121.20 122.95 1i5p s ILE 484 Ca 0.52 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1i5p s ILE 484 Cb -0.34 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1i5p s ILE 484 CO 0.39 0.34 1.11 -1.00 0.00 0.00 0.00 174.94 175.78 1i5p s HIS 485 N 1.52 3.56 -0.29 3.97 3.76 -0.22 -0.20 115.29 127.38 1i5p s HIS 485 Ca 0.05 1.51 -0.16 0.00 -0.15 0.00 0.00 55.06 56.32 1i5p s HIS 485 Cb -0.15 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.23 1i5p s HIS 485 CO -0.00 -0.70 0.42 -1.17 -0.85 0.00 0.00 174.74 172.44 1i5p s LEU 486 N 0.51 4.16 0.63 0.89 2.96 0.27 0.14 118.68 128.24 1i5p s LEU 486 Ca 0.53 0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.48 1i5p s LEU 486 Cb -0.27 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1i5p s LEU 486 CO 0.31 -0.29 1.08 0.00 -1.32 0.00 0.00 176.35 176.13 1i5p s ALA 487 N 2.17 2.61 0.71 5.97 0.00 -0.82 -4.87 121.76 127.53 1i5p s ALA 487 Ca 0.16 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 1i5p s ALA 487 Cb -0.16 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1i5p s ALA 487 CO 0.11 -1.06 0.93 -2.30 0.00 0.00 0.00 175.76 173.44 1i5p n PRO 488 N -2.31 0.53 -0.01 0.00 -0.02 -1.26 -4.87 135.00 127.06 1i5p n PRO 488 Ca 0.09 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.76 1i5p n PRO 488 Cb 0.53 -2.19 0.15 0.00 -0.02 0.00 0.00 33.50 31.97 1i5p n PRO 488 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1i5p h GLU 489 N -0.19 0.55 0.00 -0.52 4.39 -1.94 -3.44 114.58 113.43 1i5p h GLU 489 Ca -0.47 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 58.99 1i5p h GLU 489 Cb 1.34 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1i5p h GLU 489 CO 0.47 0.79 0.00 -0.40 -1.16 0.00 0.00 179.01 178.71 1i5p n ASP 490 N -4.09 0.63 -3.70 1.42 3.85 -1.26 -5.00 116.55 108.40 1i5p n ASP 490 Ca -0.01 -0.84 -0.42 0.00 -0.71 0.00 0.00 54.79 52.82 1i5p n ASP 490 Cb 0.44 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1i5p n ASP 490 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1i5p n TYR 491 N -0.57 3.27 -4.88 2.11 9.36 -1.26 -4.90 117.16 120.29 1i5p n TYR 491 Ca 0.00 -2.95 -0.30 0.00 3.32 0.00 0.00 57.90 57.97 1i5p n TYR 491 Cb 0.00 -2.41 -0.15 0.00 -0.63 0.00 0.00 39.34 36.16 1i5p n TYR 491 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1i5p s THR 492 N 2.40 2.13 0.90 2.97 2.01 -1.26 -4.94 115.64 119.85 1i5p s THR 492 Ca 0.48 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 1i5p s THR 492 Cb 0.14 -1.82 0.13 0.00 0.01 0.00 0.00 72.50 70.95 1i5p s THR 492 CO -0.07 0.35 1.13 -0.83 -0.69 0.00 0.00 174.62 174.51 1i5p s GLY 493 N -1.28 1.58 0.09 4.40 0.00 0.23 -4.63 107.32 107.72 1i5p s GLY 493 Ca 0.12 -0.47 -0.25 0.00 0.00 0.00 0.00 44.72 44.11 1i5p s GLY 493 CO 0.02 0.07 0.64 -0.11 0.00 0.00 0.00 173.10 173.72 1i5p s PHE 494 N -3.25 -0.56 0.32 1.90 -0.12 -0.20 -0.56 117.98 115.51 1i5p s PHE 494 Ca 0.63 0.54 0.08 0.00 -0.05 0.00 0.00 56.93 58.13 1i5p s PHE 494 Cb -0.15 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1i5p s PHE 494 CO 0.54 -0.77 0.15 0.95 -0.05 0.00 0.00 175.22 176.04 1i5p s THR 495 N -3.02 3.32 -0.05 -4.49 -4.23 -0.61 -0.61 115.64 105.95 1i5p s THR 495 Ca -0.02 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1i5p s THR 495 Cb -0.01 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.83 1i5p s THR 495 CO -0.07 -0.23 0.08 -0.63 -0.54 0.00 0.00 174.62 173.23 1i5p s ILE 496 N -2.36 -0.13 0.18 2.99 1.01 0.49 -4.26 121.20 119.11 1i5p s ILE 496 Ca 0.37 0.41 -0.31 0.00 0.00 0.00 0.00 60.65 61.12 1i5p s ILE 496 Cb -0.04 -0.17 -0.09 0.00 0.01 0.00 0.00 42.46 42.17 1i5p s ILE 496 CO 0.23 0.17 1.40 -0.55 0.00 0.00 0.00 174.94 176.19 1i5p s SER 497 N 2.14 6.77 0.56 3.58 0.15 -1.26 -2.65 113.70 122.98 1i5p s SER 497 Ca 0.04 2.48 0.36 0.00 0.70 0.00 0.00 55.95 59.53 1i5p s SER 497 Cb -0.12 -2.60 1.96 0.00 -1.71 0.00 0.00 66.02 63.54 1i5p s SER 497 CO -0.03 -0.65 2.10 -0.65 1.20 0.00 0.00 173.24 175.20 1i5p h PRO 498 N 5.93 0.00 0.00 5.44 0.11 -1.85 -0.51 132.00 141.12 1i5p h PRO 498 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 1i5p h PRO 498 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1i5p h PRO 498 CO 0.82 0.00 -0.54 0.82 -0.21 0.00 0.00 178.00 178.89 1i5p h ILE 499 N 0.00 1.18 -0.83 4.15 1.08 -1.89 -3.33 117.51 117.87 1i5p h ILE 499 Ca 0.00 -2.01 -0.60 0.00 -0.39 0.00 0.00 64.86 61.86 1i5p h ILE 499 Cb 0.08 2.15 -0.11 0.00 -3.07 0.00 0.00 36.82 35.87 1i5p h ILE 499 CO 0.00 0.53 1.71 1.41 -0.69 0.00 0.00 178.15 181.11 1i5p n HIS 500 N -3.59 1.98 -2.70 1.37 8.25 -0.20 -4.12 115.22 116.21 1i5p n HIS 500 Ca -0.00 -2.45 -0.29 0.00 -0.26 0.00 0.00 57.72 54.72 1i5p n HIS 500 Cb 0.62 -1.77 -0.01 0.00 1.12 0.00 0.00 29.99 29.94 1i5p n HIS 500 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i5p s ALA 501 N -0.60 3.38 0.06 -1.41 0.00 -1.25 -4.80 121.76 117.13 1i5p s ALA 501 Ca 0.59 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1i5p s ALA 501 Cb 0.26 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.57 1i5p s ALA 501 CO -0.12 -0.23 1.25 1.15 0.00 0.00 0.00 175.76 177.81 1i5p h THR 502 N 0.53 1.34 -1.80 0.00 2.02 0.10 -3.44 112.91 111.66 1i5p h THR 502 Ca -0.47 -1.87 0.08 0.00 0.77 0.00 0.00 66.41 64.92 1i5p h THR 502 Cb 1.20 2.13 -0.20 0.00 -1.74 0.00 0.00 68.15 69.53 1i5p h THR 502 CO 0.63 0.57 0.50 0.00 0.37 0.00 0.00 175.52 177.59 1i5p s GLN 503 N -3.70 0.69 -0.01 6.66 -2.07 -1.14 -4.84 119.66 115.26 1i5p s GLN 503 Ca -0.12 0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.45 1i5p s GLN 503 Cb 0.07 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.32 1i5p s GLN 503 CO 0.85 -0.25 -0.00 0.08 -1.32 0.00 0.00 175.29 174.65 1i5p s VAL 504 N -1.69 0.08 0.64 3.63 1.01 -1.26 -0.80 120.40 122.00 1i5p s VAL 504 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1i5p s VAL 504 Cb -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 36.38 36.35 1i5p s VAL 504 CO -0.01 0.06 0.88 0.54 0.00 0.00 0.00 175.10 176.57 1i5p s ASN 505 N 0.35 4.76 -1.52 3.32 6.03 -1.08 -4.37 114.94 122.43 1i5p s ASN 505 Ca -0.03 -0.45 -0.13 0.00 -1.03 0.00 0.00 52.86 51.22 1i5p s ASN 505 Cb -0.05 -0.09 0.08 0.00 -3.03 0.00 0.00 41.25 38.16 1i5p s ASN 505 CO -0.01 -1.55 0.97 0.59 -2.03 0.00 0.00 177.10 175.07 1i5p n ASN 506 N -2.54 -4.65 0.25 3.54 5.03 -1.26 -4.67 115.26 110.95 1i5p n ASN 506 Ca 0.14 -0.78 0.07 0.00 0.87 0.00 0.00 54.58 54.88 1i5p n ASN 506 Cb 0.61 -3.90 0.61 0.00 -1.02 0.00 0.00 39.78 36.08 1i5p n ASN 506 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1i5p h GLN 507 N -2.09 0.00 0.00 3.52 4.20 -1.92 -1.65 115.11 117.18 1i5p h GLN 507 Ca -0.58 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1i5p h GLN 507 Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1i5p h GLN 507 CO 0.67 0.05 0.00 1.79 -0.67 0.00 0.00 178.83 180.67 1i5p h THR 508 N 0.00 0.00 -0.24 -0.54 1.35 -1.88 -2.64 112.91 108.96 1i5p h THR 508 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1i5p h THR 508 Cb 0.09 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1i5p h THR 508 CO 0.01 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.82 1i5p n ARG 509 N -2.44 2.74 -4.98 4.72 5.12 -0.64 -4.89 116.66 116.29 1i5p n ARG 509 Ca 0.02 -2.35 -0.32 0.00 -1.93 0.00 0.00 57.85 53.27 1i5p n ARG 509 Cb 0.28 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 29.93 1i5p n ARG 509 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1i5p s THR 510 N -1.91 2.09 0.12 0.55 2.01 -0.99 -1.51 115.64 115.99 1i5p s THR 510 Ca 0.29 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1i5p s THR 510 Cb 0.21 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1i5p s THR 510 CO 0.10 0.55 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.07 1i5p s PHE 511 N 0.54 1.48 -0.08 4.92 0.40 -0.57 0.35 117.98 125.02 1i5p s PHE 511 Ca -0.14 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.46 1i5p s PHE 511 Cb -0.17 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 1i5p s PHE 511 CO 0.04 0.16 0.69 0.42 0.70 0.00 0.00 175.22 177.23 1i5p s ILE 512 N -1.82 5.05 -0.19 0.64 1.01 -1.26 0.10 121.20 124.73 1i5p s ILE 512 Ca 0.07 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.14 1i5p s ILE 512 Cb -0.07 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.40 1i5p s ILE 512 CO 0.04 0.24 -0.18 -0.55 0.00 0.00 0.00 174.94 174.49 1i5p s SER 513 N 0.82 3.33 0.23 3.58 0.15 0.30 -4.91 113.70 117.22 1i5p s SER 513 Ca 0.36 -0.66 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1i5p s SER 513 Cb -0.17 -1.51 -0.15 0.00 -1.71 0.00 0.00 66.02 62.47 1i5p s SER 513 CO 0.17 -0.01 1.05 1.21 1.20 0.00 0.00 173.24 176.86 1i5p n GLU 514 N 4.63 1.20 -4.06 5.44 2.13 -1.26 -1.05 120.64 127.68 1i5p n GLU 514 Ca -0.20 0.42 -0.12 0.00 0.66 0.00 0.00 57.16 57.92 1i5p n GLU 514 Cb 0.50 -1.83 -0.11 0.00 0.27 0.00 0.00 31.44 30.26 1i5p n GLU 514 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1i5p s LYS 515 N -0.98 0.51 -0.07 5.31 -0.14 -1.26 -4.74 119.74 118.37 1i5p s LYS 515 Ca 0.65 -0.79 0.12 0.00 -1.36 0.00 0.00 55.97 54.59 1i5p s LYS 515 Cb -0.78 -0.19 -0.17 0.00 -1.68 0.00 0.00 37.83 35.00 1i5p s LYS 515 CO 0.56 0.02 0.15 1.19 -0.76 0.00 0.00 175.35 176.51 1i5p n PHE 516 N 1.33 0.00 -2.44 3.18 3.01 -1.26 -4.68 117.46 116.60 1i5p n PHE 516 Ca -0.22 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.12 1i5p n PHE 516 Cb 0.55 -0.46 0.04 0.00 -0.01 0.00 0.00 39.48 39.60 1i5p n PHE 516 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i5p n GLY 517 N 2.04 4.01 0.13 1.37 0.00 -1.26 -4.32 105.19 107.15 1i5p n GLY 517 Ca -0.12 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.13 1i5p n GLY 517 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i5p n ASN 518 N -0.65 1.86 -3.87 1.61 5.15 -1.26 -4.29 115.26 113.80 1i5p n ASN 518 Ca 0.25 -2.72 -0.30 0.00 -0.60 0.00 0.00 54.58 51.22 1i5p n ASN 518 Cb 0.88 -0.33 0.03 0.00 -0.53 0.00 0.00 39.78 39.84 1i5p n ASN 518 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i5p n GLN 519 N -1.05 -5.87 0.00 1.20 1.13 -1.26 -4.75 117.38 106.79 1i5p n GLN 519 Ca 0.11 0.63 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 1i5p n GLN 519 Cb 0.60 -5.55 0.00 0.00 0.11 0.00 0.00 30.24 25.40 1i5p n GLN 519 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i5p n GLY 520 N -1.74 2.04 3.87 1.08 0.00 -1.26 -3.61 105.19 105.57 1i5p n GLY 520 Ca 0.04 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 1i5p n GLY 520 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i5p s ASP 521 N 0.00 4.67 0.38 1.61 1.01 -1.26 -4.44 116.67 118.64 1i5p s ASP 521 Ca 0.00 0.98 0.08 0.00 0.71 0.00 0.00 52.55 54.31 1i5p s ASP 521 Cb 0.00 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 1i5p s ASP 521 CO 0.00 -1.82 0.39 -0.94 0.21 0.00 0.00 175.17 173.01 1i5p s SER 522 N -4.36 5.29 -0.30 0.27 1.04 -0.21 -4.73 113.70 110.71 1i5p s SER 522 Ca 0.61 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 56.40 1i5p s SER 522 Cb -0.12 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.24 1i5p s SER 522 CO 0.51 -0.56 0.08 -0.22 0.98 0.00 0.00 173.24 174.04 1i5p s LEU 523 N -4.12 3.86 -0.32 2.42 2.96 -0.37 -0.54 118.68 122.56 1i5p s LEU 523 Ca 0.47 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1i5p s LEU 523 Cb -0.06 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1i5p s LEU 523 CO 0.28 -0.19 0.29 -0.60 -1.32 0.00 0.00 176.35 174.82 1i5p s ARG 524 N 1.51 3.68 -0.26 1.98 3.52 0.12 -0.46 118.95 129.03 1i5p s ARG 524 Ca 0.03 -0.41 -0.18 0.00 -0.13 0.00 0.00 55.73 55.04 1i5p s ARG 524 Cb -0.17 -3.76 -0.03 0.00 -1.56 0.00 0.00 34.95 29.43 1i5p s ARG 524 CO 0.03 -0.40 0.52 -0.06 -0.81 0.00 0.00 175.30 174.57 1i5p s PHE 525 N 1.89 3.27 -0.74 5.12 2.99 0.13 -1.51 117.98 129.13 1i5p s PHE 525 Ca 0.10 0.65 0.16 0.00 0.00 0.00 0.00 56.93 57.84 1i5p s PHE 525 Cb -0.17 -2.72 -0.18 0.00 0.00 0.00 0.00 43.02 39.95 1i5p s PHE 525 CO 0.11 -0.27 0.68 0.39 -0.00 0.00 0.00 175.22 176.13 1i5p n GLU 526 N 5.51 1.50 -4.76 0.44 1.02 -0.57 -1.20 120.64 122.58 1i5p n GLU 526 Ca -0.04 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.76 1i5p n GLU 526 Cb 0.50 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.49 1i5p n GLU 526 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1i5p s GLN 527 N -2.59 3.39 0.72 3.49 0.74 -1.25 -4.87 119.66 119.29 1i5p s GLN 527 Ca 0.06 -0.68 -0.15 0.00 0.05 0.00 0.00 55.36 54.64 1i5p s GLN 527 Cb 0.12 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.63 1i5p s GLN 527 CO 0.68 0.21 1.18 0.45 -0.55 0.00 0.00 175.29 177.26 1i5p s SER 528 N 0.36 4.36 -1.13 6.67 0.15 -1.26 -3.66 113.70 119.19 1i5p s SER 528 Ca -0.11 2.25 -0.04 0.00 0.70 0.00 0.00 55.95 58.75 1i5p s SER 528 Cb -0.16 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1i5p s SER 528 CO 0.06 -2.15 0.97 -3.20 1.20 0.00 0.00 173.24 170.11 1i5p n ASN 529 N -2.73 -4.21 -4.80 5.45 5.15 0.54 -4.91 115.26 109.76 1i5p n ASN 529 Ca 0.13 -0.50 -0.36 0.00 -0.60 0.00 0.00 54.58 53.24 1i5p n ASN 529 Cb 0.51 -4.49 -0.07 0.00 -0.53 0.00 0.00 39.78 35.20 1i5p n ASN 529 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1i5p s THR 530 N -3.29 5.44 -0.11 -0.44 2.01 -1.09 -4.90 115.64 113.27 1i5p s THR 530 Ca 0.29 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1i5p s THR 530 Cb -0.13 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1i5p s THR 530 CO 0.64 0.52 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.99 1i5p s THR 531 N -0.26 2.40 -0.21 -0.82 2.01 -1.26 -1.37 115.64 116.14 1i5p s THR 531 Ca 0.12 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1i5p s THR 531 Cb -0.12 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.45 1i5p s THR 531 CO 0.01 0.55 -0.11 0.00 -0.69 0.00 0.00 174.62 174.38 1i5p s ALA 532 N 0.31 2.61 -0.13 7.40 0.00 -0.37 -2.63 121.76 128.94 1i5p s ALA 532 Ca -0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.52 1i5p s ALA 532 Cb -0.17 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1i5p s ALA 532 CO 0.08 -0.44 0.12 0.50 0.00 0.00 0.00 175.76 176.02 1i5p s ARG 533 N 1.39 3.52 0.06 0.00 3.52 0.02 -1.37 118.95 126.08 1i5p s ARG 533 Ca 0.05 -0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.52 1i5p s ARG 533 Cb -0.14 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1i5p s ARG 533 CO -0.07 0.67 -0.18 0.71 -0.81 0.00 0.00 175.30 175.62 1i5p s TYR 534 N -0.72 1.56 -0.06 5.12 1.51 -0.04 0.14 117.35 124.86 1i5p s TYR 534 Ca 0.13 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1i5p s TYR 534 Cb -0.12 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1i5p s TYR 534 CO 0.03 0.10 -0.16 0.99 -1.11 0.00 0.00 175.55 175.40 1i5p s THR 535 N -0.97 1.36 0.07 -0.71 2.01 -1.26 0.40 115.64 116.54 1i5p s THR 535 Ca 0.04 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1i5p s THR 535 Cb -0.09 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1i5p s THR 535 CO 0.02 0.40 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.79 1i5p s LEU 536 N 0.29 2.37 -0.47 4.42 0.05 -0.19 -1.06 118.68 124.09 1i5p s LEU 536 Ca -0.09 -0.75 -0.19 0.00 0.05 0.00 0.00 54.13 53.15 1i5p s LEU 536 Cb -0.13 -0.18 0.05 0.00 -2.05 0.00 0.00 46.19 43.87 1i5p s LEU 536 CO 0.03 -0.29 0.56 -0.60 -0.55 0.00 0.00 176.35 175.50 1i5p s ARG 537 N -2.56 3.12 0.91 1.48 6.06 0.37 -0.00 118.95 128.34 1i5p s ARG 537 Ca 0.01 -0.83 -0.11 0.00 -2.50 0.00 0.00 55.73 52.29 1i5p s ARG 537 Cb -0.04 -4.05 0.14 0.00 0.06 0.00 0.00 34.95 31.07 1i5p s ARG 537 CO -0.01 -1.08 1.09 0.20 -2.50 0.00 0.00 175.30 173.00 1i5p s GLY 538 N 2.36 1.63 -0.00 8.12 0.00 -0.58 -1.95 107.32 116.91 1i5p s GLY 538 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1i5p s GLY 538 CO 0.13 0.61 0.91 1.16 0.00 0.00 0.00 173.10 175.91 1i5p n ASN 539 N -4.04 1.65 0.00 1.64 0.23 -0.18 -2.79 115.26 111.77 1i5p n ASN 539 Ca 0.08 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 1i5p n ASN 539 Cb 0.54 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1i5p n ASN 539 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1i5p n GLY 540 N -0.41 0.77 3.95 4.83 0.00 0.20 -4.68 105.19 109.85 1i5p n GLY 540 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1i5p n GLY 540 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i5p s ASN 541 N -2.56 6.34 -0.14 1.61 0.01 -1.24 -4.80 114.94 114.16 1i5p s ASN 541 Ca 0.00 0.18 -0.07 0.00 -0.71 0.00 0.00 52.86 52.26 1i5p s ASN 541 Cb 0.00 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 1i5p s ASN 541 CO 0.00 0.02 0.13 -0.44 -1.51 0.00 0.00 177.10 175.30 1i5p s SER 542 N -3.36 6.27 0.09 -1.22 0.01 -1.26 -0.81 113.70 113.43 1i5p s SER 542 Ca 0.35 0.40 0.01 0.00 1.31 0.00 0.00 55.95 58.02 1i5p s SER 542 Cb -0.11 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1i5p s SER 542 CO 0.29 0.36 -0.06 -0.31 0.41 0.00 0.00 173.24 173.93 1i5p s TYR 543 N -0.72 0.84 -0.18 2.43 1.51 0.40 -4.02 117.35 117.61 1i5p s TYR 543 Ca 0.13 -0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 55.07 1i5p s TYR 543 Cb -0.12 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1i5p s TYR 543 CO 0.03 -0.19 0.47 -0.80 -1.11 0.00 0.00 175.55 173.94 1i5p s ASN 544 N -3.03 6.56 -0.17 2.29 0.01 0.87 0.29 114.94 121.76 1i5p s ASN 544 Ca 0.12 0.67 -0.21 0.00 -0.71 0.00 0.00 52.86 52.72 1i5p s ASN 544 Cb 0.06 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 1i5p s ASN 544 CO -0.05 -0.10 0.64 -0.22 -1.51 0.00 0.00 177.10 175.85 1i5p s LEU 545 N 1.26 4.18 -0.09 0.60 2.96 0.79 -1.50 118.68 126.89 1i5p s LEU 545 Ca 0.23 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1i5p s LEU 545 Cb -0.15 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 1i5p s LEU 545 CO 0.09 -0.23 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.37 1i5p s TYR 546 N 1.66 2.59 -0.22 5.38 1.51 -0.03 -0.38 117.35 127.87 1i5p s TYR 546 Ca 0.30 -0.74 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1i5p s TYR 546 Cb -0.16 -1.69 -0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1i5p s TYR 546 CO 0.11 -0.23 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.75 1i5p s LEU 547 N 0.04 2.79 -0.29 -1.29 1.43 -0.08 -1.32 118.68 119.96 1i5p s LEU 547 Ca -0.08 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 1i5p s LEU 547 Cb -0.15 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1i5p s LEU 547 CO 0.05 -0.02 0.77 -0.60 0.23 0.00 0.00 176.35 176.79 1i5p s ARG 548 N 1.45 4.00 0.14 1.70 3.52 0.24 -0.45 118.95 129.56 1i5p s ARG 548 Ca 0.06 0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 56.24 1i5p s ARG 548 Cb -0.14 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 1i5p s ARG 548 CO -0.05 -0.63 0.12 0.14 -0.81 0.00 0.00 175.30 174.07 1i5p s VAL 549 N 2.89 0.09 -0.05 7.11 -7.23 -0.62 -0.64 120.40 121.95 1i5p s VAL 549 Ca 0.32 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1i5p s VAL 549 Cb -0.14 -1.99 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1i5p s VAL 549 CO 0.11 -0.42 -0.09 -0.55 -0.31 0.00 0.00 175.10 173.84 1i5p s SER 550 N -3.03 1.37 -0.33 4.85 0.15 -0.55 -0.95 113.70 115.21 1i5p s SER 550 Ca 0.22 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1i5p s SER 550 Cb 0.06 -0.59 0.14 0.00 -1.71 0.00 0.00 66.02 63.92 1i5p s SER 550 CO 0.01 0.01 0.29 -0.55 1.20 0.00 0.00 173.24 174.20 1i5p s SER 551 N 0.64 1.97 -1.40 5.45 0.15 -1.26 -1.31 113.70 117.94 1i5p s SER 551 Ca -0.11 -1.32 -0.12 0.00 0.70 0.00 0.00 55.95 55.09 1i5p s SER 551 Cb -0.14 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.52 1i5p s SER 551 CO 0.02 -0.34 2.12 -0.38 1.20 0.00 0.00 173.24 175.85 1i5p n ILE 552 N 4.76 3.75 -0.29 6.45 2.08 -1.26 -0.72 119.36 134.13 1i5p n ILE 552 Ca 0.04 -3.47 0.00 0.00 0.56 0.00 0.00 62.75 59.88 1i5p n ILE 552 Cb 0.44 -2.53 0.00 0.00 -0.75 0.00 0.00 39.64 36.80 1i5p n ILE 552 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1i5p n GLY 553 N 3.66 -0.75 3.83 7.39 0.00 -1.26 -4.84 105.19 113.21 1i5p n GLY 553 Ca 0.48 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1i5p n GLY 553 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i5p s ASN 554 N -0.62 6.93 0.14 1.61 0.01 -1.26 -4.21 114.94 117.54 1i5p s ASN 554 Ca 0.00 1.23 -0.14 0.00 -0.71 0.00 0.00 52.86 53.24 1i5p s ASN 554 Cb 0.00 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.33 1i5p s ASN 554 CO 0.00 0.09 0.37 -0.94 -1.51 0.00 0.00 177.10 175.10 1i5p s SER 555 N -1.65 -0.12 -0.08 -1.22 1.04 -0.75 -1.72 113.70 109.20 1i5p s SER 555 Ca 0.39 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1i5p s SER 555 Cb -0.16 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1i5p s SER 555 CO 0.20 -0.88 -0.15 -0.89 0.98 0.00 0.00 173.24 172.50 1i5p s THR 556 N -3.86 1.36 -0.17 2.02 2.01 0.15 -1.03 115.64 116.12 1i5p s THR 556 Ca 0.07 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1i5p s THR 556 Cb 0.02 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1i5p s THR 556 CO -0.08 0.40 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.63 1i5p s ILE 557 N 0.61 4.17 -0.24 1.82 1.01 -0.18 -0.54 121.20 127.85 1i5p s ILE 557 Ca -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1i5p s ILE 557 Cb -0.16 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.51 1i5p s ILE 557 CO 0.05 0.47 -0.08 -0.13 0.00 0.00 0.00 174.94 175.24 1i5p s ARG 558 N 0.47 1.95 -0.18 2.79 0.52 0.44 -0.36 118.95 124.58 1i5p s ARG 558 Ca -0.01 -1.14 -0.06 0.00 -0.52 0.00 0.00 55.73 54.00 1i5p s ARG 558 Cb -0.14 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1i5p s ARG 558 CO 0.02 -0.57 0.03 0.08 0.02 0.00 0.00 175.30 174.89 1i5p s VAL 559 N 1.26 4.43 -0.18 3.52 1.01 0.75 -0.60 120.40 130.60 1i5p s VAL 559 Ca -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1i5p s VAL 559 Cb -0.19 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1i5p s VAL 559 CO -0.06 0.45 -0.20 -0.89 0.00 0.00 0.00 175.10 174.40 1i5p s THR 560 N 0.57 2.05 -0.27 3.92 2.01 -0.22 0.15 115.64 123.86 1i5p s THR 560 Ca 0.01 -0.94 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 1i5p s THR 560 Cb -0.13 -1.85 0.08 0.00 0.01 0.00 0.00 72.50 70.60 1i5p s THR 560 CO 0.02 0.54 0.76 -0.51 -0.69 0.00 0.00 174.62 174.73 1i5p s ILE 561 N 1.26 0.00 -1.64 1.82 2.07 -0.42 -1.42 121.20 122.87 1i5p s ILE 561 Ca 0.04 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1i5p s ILE 561 Cb -0.13 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.46 1i5p s ILE 561 CO -0.12 0.00 0.00 0.59 -1.91 0.00 0.00 174.94 173.50 1i5p n ASN 562 N 2.59 -5.35 0.00 4.50 5.03 -1.26 -0.75 115.26 120.02 1i5p n ASN 562 Ca -0.14 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1i5p n ASN 562 Cb 0.55 -4.42 0.00 0.00 -1.02 0.00 0.00 39.78 34.90 1i5p n ASN 562 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i5p n GLY 563 N -0.97 0.40 3.82 7.41 0.00 -1.26 -4.98 105.19 109.61 1i5p n GLY 563 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1i5p n GLY 563 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5p s ARG 564 N -0.69 3.26 -0.25 1.61 0.52 0.07 -5.09 118.95 118.38 1i5p s ARG 564 Ca 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 1i5p s ARG 564 Cb 0.00 -3.03 0.04 0.00 0.52 0.00 0.00 34.95 32.49 1i5p s ARG 564 CO 0.00 0.73 -0.09 0.08 0.02 0.00 0.00 175.30 176.04 1i5p s VAL 565 N -1.05 2.50 -0.18 3.52 1.01 -1.26 -1.30 120.40 123.65 1i5p s VAL 565 Ca 0.17 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 1i5p s VAL 565 Cb -0.12 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1i5p s VAL 565 CO 0.07 0.11 0.08 -0.31 0.00 0.00 0.00 175.10 175.05 1i5p s TYR 566 N 1.22 3.31 -0.16 5.22 1.51 0.12 -4.93 117.35 123.64 1i5p s TYR 566 Ca -0.03 0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 1i5p s TYR 566 Cb -0.18 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1i5p s TYR 566 CO -0.05 0.24 -0.21 0.99 -1.11 0.00 0.00 175.55 175.41 1i5p s THR 567 N 0.21 2.10 -0.28 -0.71 2.01 -1.26 -0.18 115.64 117.53 1i5p s THR 567 Ca 0.05 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1i5p s THR 567 Cb -0.12 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.60 1i5p s THR 567 CO -0.00 0.54 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 1i5p s VAL 568 N 0.99 2.52 0.36 3.82 1.01 0.51 -4.99 120.40 124.63 1i5p s VAL 568 Ca -0.03 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.39 1i5p s VAL 568 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1i5p s VAL 568 CO -0.06 -0.11 0.54 -0.44 0.00 0.00 0.00 175.10 175.04 1i5p s SER 569 N 1.17 6.09 -1.42 3.32 0.01 -1.26 -1.01 113.70 120.60 1i5p s SER 569 Ca -0.06 0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.32 1i5p s SER 569 Cb -0.20 -1.70 0.04 0.00 0.21 0.00 0.00 66.02 64.37 1i5p s SER 569 CO -0.04 -0.42 1.12 0.59 0.41 0.00 0.00 173.24 174.91 1i5p n ASN 570 N -1.80 -5.81 -4.64 2.44 3.02 -1.17 -4.91 115.26 102.39 1i5p n ASN 570 Ca -0.03 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 1i5p n ASN 570 Cb 0.57 -4.65 -0.02 0.00 -0.61 0.00 0.00 39.78 35.07 1i5p n ASN 570 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i5p s VAL 571 N -3.32 4.21 -0.16 2.41 1.01 -0.20 -4.84 120.40 119.52 1i5p s VAL 571 Ca 0.61 1.40 -0.06 0.00 0.00 0.00 0.00 61.98 63.93 1i5p s VAL 571 Cb -0.28 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.05 1i5p s VAL 571 CO 0.76 -0.38 0.34 0.21 0.00 0.00 0.00 175.10 176.04 1i5p s ASN 572 N 2.48 0.08 -0.22 3.32 3.84 -1.26 -1.81 114.94 121.37 1i5p s ASN 572 Ca 0.55 0.76 0.15 0.00 0.21 0.00 0.00 52.86 54.53 1i5p s ASN 572 Cb -0.18 1.01 0.61 0.00 -0.55 0.00 0.00 41.25 42.14 1i5p s ASN 572 CO 0.20 -0.24 1.54 0.35 -2.79 0.00 0.00 177.10 176.16 1i5p n THR 573 N 5.37 2.49 0.05 -5.21 -2.24 0.10 -4.34 114.28 110.50 1i5p n THR 573 Ca -0.07 -1.85 -0.11 0.00 -2.27 0.00 0.00 64.05 59.75 1i5p n THR 573 Cb 0.50 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1i5p n THR 573 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1i5p h THR 574 N 2.24 0.53 0.00 4.28 2.02 -1.87 -3.37 112.91 116.73 1i5p h THR 574 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1i5p h THR 574 Cb 1.68 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1i5p h THR 574 CO 0.36 0.00 -1.00 0.35 0.37 0.00 0.00 175.52 175.59 1i5p n THR 575 N -5.33 0.00 -3.02 3.16 -2.24 -1.26 -4.86 114.28 100.73 1i5p n THR 575 Ca -0.05 -0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 1i5p n THR 575 Cb 0.24 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 1i5p n THR 575 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1i5p s ASN 576 N -2.47 6.98 0.33 3.42 0.02 -1.26 -4.94 114.94 117.02 1i5p s ASN 576 Ca -0.00 -2.82 0.01 0.00 -1.02 0.00 0.00 52.86 49.03 1i5p s ASN 576 Cb 0.00 -2.36 -0.01 0.00 0.02 0.00 0.00 41.25 38.89 1i5p s ASN 576 CO 0.00 -0.75 0.37 0.54 0.02 0.00 0.00 177.10 177.28 1i5p s ASN 577 N 2.79 1.14 0.00 -1.22 2.20 -1.26 -4.37 114.94 114.22 1i5p s ASN 577 Ca 0.37 -1.58 0.31 0.00 -0.94 0.00 0.00 52.86 51.03 1i5p s ASN 577 Cb -0.05 0.60 1.73 0.00 -2.00 0.00 0.00 41.25 41.54 1i5p s ASN 577 CO -0.04 -1.17 2.14 0.47 -2.94 0.00 0.00 177.10 175.56 1i5p n ASP 578 N -1.37 0.15 0.00 3.54 9.92 -0.87 -4.90 116.55 123.03 1i5p n ASP 578 Ca 0.04 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 1i5p n ASP 578 Cb 0.62 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1i5p n ASP 578 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i5p n GLY 579 N 1.08 1.14 3.67 0.44 0.00 -1.26 -4.70 105.19 105.56 1i5p n GLY 579 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1i5p n GLY 579 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i5p s VAL 580 N -2.43 4.90 -0.46 1.61 1.01 -1.26 -4.91 120.40 118.87 1i5p s VAL 580 Ca 0.00 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 1i5p s VAL 580 Cb 0.00 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1i5p s VAL 580 CO 0.00 0.03 0.35 0.21 0.00 0.00 0.00 175.10 175.70 1i5p s ASN 581 N 1.17 5.97 -0.46 3.32 3.84 -1.26 -3.96 114.94 123.56 1i5p s ASN 581 Ca 0.37 -1.40 -0.09 0.00 0.21 0.00 0.00 52.86 51.95 1i5p s ASN 581 Cb -0.16 -2.12 0.12 0.00 -0.55 0.00 0.00 41.25 38.54 1i5p s ASN 581 CO 0.12 -0.61 0.33 -0.62 -2.79 0.00 0.00 177.10 173.52 1i5p s ASP 582 N 2.46 5.67 -1.63 -4.21 -1.08 0.51 -4.64 116.67 113.74 1i5p s ASP 582 Ca 0.04 -1.90 -0.16 0.00 -0.52 0.00 0.00 52.55 50.00 1i5p s ASP 582 Cb -0.24 -2.00 0.13 0.00 -1.46 0.00 0.00 42.92 39.35 1i5p s ASP 582 CO 0.05 -0.67 0.88 -3.20 0.52 0.00 0.00 175.17 172.75 1i5p n ASN 583 N 4.88 -4.00 0.00 -0.34 5.15 -1.26 -0.81 115.26 118.88 1i5p n ASN 583 Ca -0.08 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 1i5p n ASN 583 Cb 0.41 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.38 1i5p n ASN 583 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i5p n GLY 584 N -1.53 3.24 3.80 8.20 0.00 -1.26 -5.05 105.19 112.58 1i5p n GLY 584 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1i5p n GLY 584 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5p s ALA 585 N -2.75 3.40 -0.48 4.61 0.00 0.01 -5.02 121.76 121.54 1i5p s ALA 585 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1i5p s ALA 585 Cb 0.00 -2.91 0.13 0.00 0.00 0.00 0.00 23.12 20.34 1i5p s ALA 585 CO 0.00 0.30 0.25 1.03 0.00 0.00 0.00 175.76 177.33 1i5p s ARG 586 N -1.67 1.63 0.76 0.00 0.52 -1.26 -0.37 118.95 118.57 1i5p s ARG 586 Ca 0.41 -2.31 -0.13 0.00 -0.52 0.00 0.00 55.73 53.18 1i5p s ARG 586 Cb -0.19 -2.83 0.06 0.00 0.52 0.00 0.00 34.95 32.50 1i5p s ARG 586 CO 0.23 -1.13 1.14 -0.59 0.02 0.00 0.00 175.30 174.97 1i5p s PHE 587 N 0.04 2.26 -0.14 -0.53 -0.12 -1.25 -4.50 117.98 113.74 1i5p s PHE 587 Ca 0.17 1.62 -0.16 0.00 -0.05 0.00 0.00 56.93 58.51 1i5p s PHE 587 Cb -0.25 -3.25 0.04 0.00 -0.63 0.00 0.00 43.02 38.93 1i5p s PHE 587 CO 0.00 -2.18 0.43 0.45 -0.05 0.00 0.00 175.22 173.86 1i5p s SER 588 N -2.68 -0.42 -0.35 1.98 0.15 -0.13 -2.05 113.70 110.20 1i5p s SER 588 Ca 0.67 0.76 -0.18 0.00 0.70 0.00 0.00 55.95 57.90 1i5p s SER 588 Cb -0.22 0.79 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1i5p s SER 588 CO 0.50 -0.21 0.49 -1.81 1.20 0.00 0.00 173.24 173.41 1i5p s ASP 589 N -0.05 6.30 -0.25 5.45 1.01 -1.26 -1.58 116.67 126.29 1i5p s ASP 589 Ca -0.02 -0.04 -0.16 0.00 0.71 0.00 0.00 52.55 53.03 1i5p s ASP 589 Cb -0.03 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 1i5p s ASP 589 CO 0.02 -0.46 0.42 -0.63 0.21 0.00 0.00 175.17 174.73 1i5p s ILE 590 N 2.34 5.15 -0.58 0.77 -1.09 0.41 -4.88 121.20 123.32 1i5p s ILE 590 Ca 0.18 0.70 -0.28 0.00 -2.23 0.00 0.00 60.65 59.02 1i5p s ILE 590 Cb -0.16 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1i5p s ILE 590 CO 0.13 0.16 1.18 0.21 -1.23 0.00 0.00 174.94 175.39 1i5p s ASN 591 N 1.43 6.44 0.01 3.58 3.04 -1.26 -0.91 114.94 127.28 1i5p s ASN 591 Ca 0.18 0.09 -0.18 0.00 0.04 0.00 0.00 52.86 52.98 1i5p s ASN 591 Cb -0.15 -2.55 -0.31 0.00 -1.54 0.00 0.00 41.25 36.70 1i5p s ASN 591 CO 0.09 -1.47 1.01 0.40 -3.04 0.00 0.00 177.10 174.09 1i5p h ILE 592 N 6.15 1.39 0.00 -5.21 1.08 -1.09 -3.50 117.51 116.33 1i5p h ILE 592 Ca -0.25 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.74 1i5p h ILE 592 Cb 1.06 2.93 0.00 0.00 -3.07 0.00 0.00 36.82 37.74 1i5p h ILE 592 CO 1.18 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 179.98 1i5p n GLY 593 N 1.50 0.61 3.73 5.37 0.00 -1.21 -4.92 105.19 110.27 1i5p n GLY 593 Ca -0.14 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1i5p n GLY 593 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i5p s ASN 594 N 0.00 7.43 0.10 1.61 3.84 -1.26 -0.15 114.94 126.52 1i5p s ASN 594 Ca 0.00 1.83 0.02 0.00 0.21 0.00 0.00 52.86 54.92 1i5p s ASN 594 Cb 0.00 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.07 1i5p s ASN 594 CO 0.00 -0.13 -0.07 0.27 -2.79 0.00 0.00 177.10 174.38 1i5p s ILE 595 N 0.11 0.76 -0.21 -5.21 -5.25 0.14 -4.93 121.20 106.63 1i5p s ILE 595 Ca 0.48 -1.90 -0.03 0.00 -0.99 0.00 0.00 60.65 58.21 1i5p s ILE 595 Cb -0.24 -1.65 -0.00 0.00 2.95 0.00 0.00 42.46 43.52 1i5p s ILE 595 CO 0.30 -0.82 -0.08 -0.69 -1.79 0.00 0.00 174.94 171.86 1i5p s VAL 596 N -3.44 3.11 -1.31 8.37 1.01 -1.26 -0.46 120.40 126.42 1i5p s VAL 596 Ca 0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1i5p s VAL 596 Cb 0.04 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 34.16 1i5p s VAL 596 CO -0.04 0.45 1.89 0.00 0.00 0.00 0.00 175.10 177.41 1i5p n ALA 597 N 4.65 5.11 -0.94 5.51 0.00 0.01 -4.92 120.51 129.93 1i5p n ALA 597 Ca -0.19 -4.18 -0.37 0.00 0.00 0.00 0.00 53.44 48.71 1i5p n ALA 597 Cb 0.51 -3.16 -0.05 0.00 0.00 0.00 0.00 19.45 16.75 1i5p n ALA 597 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i5p n SER 598 N 4.89 0.20 -4.77 0.00 7.64 -1.26 0.62 113.62 120.95 1i5p n SER 598 Ca 0.43 0.70 -0.40 0.00 1.01 0.00 0.00 58.87 60.61 1i5p n SER 598 Cb 0.38 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1i5p n SER 598 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i5p s ASP 599 N 0.51 6.22 -1.55 6.43 -1.08 -1.26 -2.98 116.67 122.96 1i5p s ASP 599 Ca 0.57 2.73 -0.18 0.00 -0.52 0.00 0.00 52.55 55.15 1i5p s ASP 599 Cb -0.80 -2.64 0.16 0.00 -1.46 0.00 0.00 42.92 38.18 1i5p s ASP 599 CO 0.38 -0.92 0.60 0.59 0.52 0.00 0.00 175.17 176.34 1i5p n ASN 600 N 0.07 -2.59 -3.97 -0.34 4.13 -1.12 -4.85 115.26 106.59 1i5p n ASN 600 Ca 0.04 -0.87 -0.16 0.00 1.68 0.00 0.00 54.58 55.27 1i5p n ASN 600 Cb 0.43 -2.19 -0.14 0.00 -1.54 0.00 0.00 39.78 36.34 1i5p n ASN 600 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1i5p s THR 601 N -3.09 0.47 -0.69 3.41 2.01 -1.16 -4.98 115.64 111.62 1i5p s THR 601 Ca 0.66 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 62.15 1i5p s THR 601 Cb -0.37 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 71.79 1i5p s THR 601 CO 0.81 0.12 1.08 0.20 -0.69 0.00 0.00 174.62 176.14 1i5p s ASN 602 N -0.17 6.17 -0.00 3.53 0.01 -1.26 -1.53 114.94 121.68 1i5p s ASN 602 Ca 0.02 -0.78 -0.22 0.00 -0.71 0.00 0.00 52.86 51.17 1i5p s ASN 602 Cb -0.02 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 1i5p s ASN 602 CO -0.00 -1.58 0.65 -0.69 -1.51 0.00 0.00 177.10 173.96 1i5p s VAL 603 N 4.66 4.89 -0.12 1.60 1.01 1.00 -4.86 120.40 128.58 1i5p s VAL 603 Ca 0.27 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 1i5p s VAL 603 Cb -0.14 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1i5p s VAL 603 CO 0.12 0.38 0.15 0.42 0.00 0.00 0.00 175.10 176.17 1i5p s THR 604 N 0.01 5.48 -0.24 3.92 -4.23 -1.26 -1.02 115.64 118.30 1i5p s THR 604 Ca 0.34 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.10 1i5p s THR 604 Cb -0.19 -3.42 0.06 0.00 1.34 0.00 0.00 72.50 70.29 1i5p s THR 604 CO 0.18 0.60 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.55 1i5p s LEU 605 N -0.87 3.02 -0.24 4.79 2.96 0.16 -4.52 118.68 123.97 1i5p s LEU 605 Ca 0.15 -1.26 -0.09 0.00 -0.22 0.00 0.00 54.13 52.71 1i5p s LEU 605 Cb -0.12 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1i5p s LEU 605 CO 0.04 -0.19 0.13 -1.81 -1.32 0.00 0.00 176.35 173.19 1i5p s ASP 606 N 1.23 5.77 -0.33 3.68 1.01 -0.50 -0.86 116.67 126.66 1i5p s ASP 606 Ca -0.07 0.00 -0.02 0.00 0.71 0.00 0.00 52.55 53.17 1i5p s ASP 606 Cb -0.19 -2.04 0.06 0.00 1.01 0.00 0.00 42.92 41.76 1i5p s ASP 606 CO -0.06 0.04 0.06 -0.63 0.21 0.00 0.00 175.17 174.78 1i5p s ILE 607 N 1.21 3.10 -0.17 0.77 1.01 -0.47 -1.05 121.20 125.59 1i5p s ILE 607 Ca 0.06 -1.55 -0.06 0.00 0.00 0.00 0.00 60.65 59.10 1i5p s ILE 607 Cb -0.14 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1i5p s ILE 607 CO 0.05 -0.26 0.03 0.21 0.00 0.00 0.00 174.94 174.97 1i5p s ASN 608 N 1.38 5.37 -0.09 3.58 3.84 0.23 -1.24 114.94 128.01 1i5p s ASN 608 Ca -0.01 0.03 0.04 0.00 0.21 0.00 0.00 52.86 53.13 1i5p s ASN 608 Cb -0.20 -1.88 -0.00 0.00 -0.55 0.00 0.00 41.25 38.61 1i5p s ASN 608 CO -0.02 0.19 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.56 1i5p s VAL 609 N 0.25 2.17 -0.23 -5.21 1.01 -0.47 -0.42 120.40 117.49 1i5p s VAL 609 Ca 0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1i5p s VAL 609 Cb -0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1i5p s VAL 609 CO 0.01 0.56 0.05 -0.89 0.00 0.00 0.00 175.10 174.83 1i5p s THR 610 N 0.21 4.25 -1.20 3.92 2.01 0.30 -0.34 115.64 124.80 1i5p s THR 610 Ca -0.14 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 1i5p s THR 610 Cb -0.17 -2.97 0.20 0.00 0.01 0.00 0.00 72.50 69.57 1i5p s THR 610 CO 0.07 0.37 1.43 0.18 -0.69 0.00 0.00 174.62 175.99 1i5p n LEU 611 N 4.65 5.51 0.00 4.42 4.77 -1.26 -0.67 117.00 134.42 1i5p n LEU 611 Ca -0.16 -4.63 -0.11 0.00 -0.03 0.00 0.00 56.01 51.07 1i5p n LEU 611 Cb 0.52 -1.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.00 1i5p n LEU 611 CO 0.31 0.97 0.62 0.78 -1.33 0.00 0.00 177.39 178.75 1i5p h ASN 612 N 6.79 -1.14 0.76 -1.43 4.21 -1.85 -1.52 115.58 121.40 1i5p h ASN 612 Ca 0.30 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.96 1i5p h ASN 612 Cb 0.83 0.47 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1i5p h ASN 612 CO 1.25 -0.39 0.00 -1.20 -1.29 0.00 0.00 177.43 175.80 1i5p n SER 613 N -5.42 0.13 0.00 5.81 7.64 -0.70 -4.87 113.62 116.21 1i5p n SER 613 Ca -0.03 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1i5p n SER 613 Cb 0.34 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1i5p n SER 613 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i5p n GLY 614 N 0.60 2.33 3.79 0.23 0.00 -0.57 -4.97 105.19 106.60 1i5p n GLY 614 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1i5p n GLY 614 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i5p s THR 615 N -2.29 3.76 0.88 2.61 -4.23 -1.26 -5.00 115.64 110.10 1i5p s THR 615 Ca 0.00 1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 61.53 1i5p s THR 615 Cb 0.00 -3.49 0.10 0.00 1.34 0.00 0.00 72.50 70.45 1i5p s THR 615 CO 0.00 -0.19 1.03 -2.65 -0.54 0.00 0.00 174.62 172.27 1i5p n PRO 616 N -0.80 -0.18 -4.94 3.99 -0.02 -1.26 -4.88 135.00 126.90 1i5p n PRO 616 Ca 0.08 0.02 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 1i5p n PRO 616 Cb 0.52 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 1i5p n PRO 616 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1i5p s PHE 617 N -2.39 1.95 -0.30 6.00 5.36 -0.34 -4.45 117.98 123.80 1i5p s PHE 617 Ca 0.68 -0.64 -0.07 0.00 -0.96 0.00 0.00 56.93 55.94 1i5p s PHE 617 Cb -0.25 -1.32 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 1i5p s PHE 617 CO 0.57 -0.24 0.10 -0.51 -1.46 0.00 0.00 175.22 173.68 1i5p s ASP 618 N 0.15 5.23 -0.50 6.13 1.01 -0.43 0.19 116.67 128.45 1i5p s ASP 618 Ca -0.08 -0.73 -0.20 0.00 0.71 0.00 0.00 52.55 52.25 1i5p s ASP 618 Cb -0.14 -1.90 0.05 0.00 1.01 0.00 0.00 42.92 41.94 1i5p s ASP 618 CO 0.04 -0.21 0.70 -0.22 0.21 0.00 0.00 175.17 175.68 1i5p s LEU 619 N 1.51 4.69 -0.18 1.23 0.20 0.39 -1.48 118.68 125.04 1i5p s LEU 619 Ca 0.03 -0.69 -0.06 0.00 0.69 0.00 0.00 54.13 54.10 1i5p s LEU 619 Cb -0.17 -2.58 -0.22 0.00 -0.43 0.00 0.00 46.19 42.79 1i5p s LEU 619 CO 0.03 -0.95 0.13 0.23 -0.29 0.00 0.00 176.35 175.51 1i5p n MET 620 N 6.47 0.70 -3.61 1.98 2.81 0.19 -1.24 117.12 124.41 1i5p n MET 620 Ca -0.04 0.26 -0.15 0.00 -1.81 0.00 0.00 57.70 55.96 1i5p n MET 620 Cb 0.46 -1.64 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 1i5p n MET 620 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1i5p s ASN 621 N -6.90 -0.42 -0.20 7.83 3.84 -0.71 -4.55 114.94 113.83 1i5p s ASN 621 Ca -0.28 0.26 0.01 0.00 0.21 0.00 0.00 52.86 53.07 1i5p s ASN 621 Cb 0.08 0.46 0.04 0.00 -0.55 0.00 0.00 41.25 41.27 1i5p s ASN 621 CO 0.68 -0.63 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.59 1i5p s ILE 622 N -1.92 1.93 -0.06 -5.21 1.01 -1.08 -0.59 121.20 115.28 1i5p s ILE 622 Ca -0.08 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.47 1i5p s ILE 622 Cb -0.01 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1i5p s ILE 622 CO 0.02 0.28 -0.08 0.00 0.00 0.00 0.00 174.94 175.16 1i5p s MET 623 N 1.29 1.28 -0.26 2.79 0.23 -0.43 -0.38 119.30 123.81 1i5p s MET 623 Ca -0.00 -0.26 -0.10 0.00 -1.03 0.00 0.00 55.69 54.29 1i5p s MET 623 Cb -0.16 -1.13 -0.05 0.00 -1.53 0.00 0.00 34.83 31.96 1i5p s MET 623 CO -0.09 -0.03 0.16 -0.06 -2.03 0.00 0.00 175.02 172.97 1i5p s PHE 624 N 0.79 3.21 -0.02 3.16 0.40 0.22 -0.85 117.98 124.90 1i5p s PHE 624 Ca -0.13 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.32 1i5p s PHE 624 Cb -0.15 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.03 1i5p s PHE 624 CO 0.02 -0.14 -0.26 0.08 0.70 0.00 0.00 175.22 175.62 1i5p s VAL 625 N 1.56 2.04 0.18 -0.44 1.01 -0.56 -1.04 120.40 123.16 1i5p s VAL 625 Ca 0.07 -1.10 -0.33 0.00 0.00 0.00 0.00 61.98 60.61 1i5p s VAL 625 Cb -0.15 -1.70 -0.14 0.00 0.00 0.00 0.00 36.38 34.38 1i5p s VAL 625 CO 0.08 0.58 1.39 -2.65 0.00 0.00 0.00 175.10 174.50 1i5p n PRO 626 N 2.47 1.75 -0.00 2.72 -0.02 -1.26 -0.09 135.00 140.57 1i5p n PRO 626 Ca -0.16 0.63 0.22 0.00 -2.02 0.00 0.00 63.50 62.17 1i5p n PRO 626 Cb 0.51 -2.28 0.72 0.00 -0.02 0.00 0.00 33.50 32.44 1i5p n PRO 626 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1i5p h THR 627 N 3.16 0.54 -0.56 3.45 1.35 -1.89 -1.15 112.91 117.81 1i5p h THR 627 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1i5p h THR 627 Cb 1.29 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1i5p h THR 627 CO 0.78 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.59 1i5p n ASN 628 N -4.07 4.59 -3.56 5.36 6.94 -1.26 -4.60 115.26 118.66 1i5p n ASN 628 Ca 0.11 -2.54 -0.27 0.00 -0.02 0.00 0.00 54.58 51.86 1i5p n ASN 628 Cb 0.70 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.43 1i5p n ASN 628 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1i5p n LEU 629 N 0.84 2.58 -4.75 -4.53 4.77 -0.44 -5.10 117.00 110.38 1i5p n LEU 629 Ca 0.23 -5.15 -0.34 0.00 -0.03 0.00 0.00 56.01 50.73 1i5p n LEU 629 Cb 0.90 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1i5p n LEU 629 CO 0.24 1.93 0.77 -2.16 -1.33 0.00 0.00 177.39 176.84 1i5p s PRO 630 N -1.67 2.56 0.72 3.23 0.04 -1.26 -4.76 135.00 133.85 1i5p s PRO 630 Ca 0.33 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1i5p s PRO 630 Cb 0.07 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1i5p s PRO 630 CO -0.10 -1.47 1.16 -1.25 0.04 0.00 0.00 177.00 175.37 1i5p s PRO 631 N -3.93 2.32 0.60 0.56 0.04 -1.26 -4.90 135.00 128.42 1i5p s PRO 631 Ca 0.71 1.57 0.39 0.00 0.04 0.00 0.00 61.00 63.71 1i5p s PRO 631 Cb -0.25 -1.87 1.97 0.00 0.04 0.00 0.00 34.50 34.38 1i5p s PRO 631 CO 0.42 -1.65 2.18 -0.07 0.04 0.00 0.00 177.00 177.92 1i5p h LEU 632 N -0.32 0.00 0.00 -3.56 3.38 -1.33 -3.50 115.31 109.98 1i5p h LEU 632 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1i5p h LEU 632 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1i5p h LEU 632 CO 0.51 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.04