#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1i s TYR 48 N 0.00 0.05 -0.67 3.17 1.51 -1.26 -5.04 117.35 115.11 2p1i s TYR 48 Ca 0.00 -1.55 0.22 0.00 -1.01 0.00 0.00 57.07 54.74 2p1i s TYR 48 Cb 0.00 -0.46 0.89 0.00 -0.11 0.00 0.00 41.96 42.28 2p1i s TYR 48 CO 0.00 -0.99 1.68 -0.35 -1.11 0.00 0.00 175.55 174.79 2p1i n PRO 49 N 3.13 0.15 -0.02 -1.71 -0.04 -1.26 -2.60 135.00 132.65 2p1i n PRO 49 Ca 0.23 0.32 -0.16 0.00 -0.04 0.00 0.00 63.50 63.86 2p1i n PRO 49 Cb 0.50 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.10 2p1i n PRO 49 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2p1i h GLU 50 N 0.00 0.30 -1.00 0.54 4.81 -2.01 -3.15 114.58 114.07 2p1i h GLU 50 Ca 0.00 -0.29 0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2p1i h GLU 50 Cb 0.41 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 2p1i h GLU 50 CO 0.00 0.97 0.63 0.28 -0.73 0.00 0.00 179.01 180.16 2p1i h VAL 51 N -0.26 0.93 -0.35 0.32 2.07 -1.91 -2.68 116.25 114.37 2p1i h VAL 51 Ca -0.04 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2p1i h VAL 51 Cb 1.08 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2p1i h VAL 51 CO 0.08 0.18 0.03 -0.25 0.02 0.00 0.00 177.57 177.63 2p1i h TRP 52 N 1.01 0.55 0.00 1.57 -0.00 -1.53 -2.98 115.95 114.57 2p1i h TRP 52 Ca 0.49 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 59.29 2p1i h TRP 52 Cb 0.47 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.46 2p1i h TRP 52 CO -0.00 0.52 -0.23 -0.91 -0.00 0.00 0.00 178.44 177.82 2p1i h ASN 53 N 0.52 0.00 -0.05 2.65 2.35 -1.43 -1.78 115.58 117.83 2p1i h ASN 53 Ca 0.12 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 2p1i h ASN 53 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2p1i h ASN 53 CO 0.01 0.23 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.38 2p1i h PHE 54 N 0.00 0.66 -0.43 1.19 -1.00 -1.51 -2.64 116.94 113.21 2p1i h PHE 54 Ca -0.00 -0.18 -0.15 0.00 2.81 0.00 0.00 57.97 60.45 2p1i h PHE 54 Cb 0.91 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 2p1i h PHE 54 CO 0.00 0.86 -0.31 -0.92 -1.61 0.00 0.00 178.31 176.33 2p1i h TYR 55 N 0.47 1.13 0.00 -0.55 5.03 -1.33 -1.25 116.97 120.47 2p1i h TYR 55 Ca 0.04 -0.31 -0.02 0.00 2.58 0.00 0.00 58.73 61.03 2p1i h TYR 55 Cb 0.87 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.90 2p1i h TYR 55 CO 0.03 1.14 -0.07 0.87 -1.32 0.00 0.00 178.16 178.81 2p1i h LYS 56 N 0.81 0.00 0.11 1.82 6.56 -1.39 0.46 116.57 124.94 2p1i h LYS 56 Ca 0.08 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.38 2p1i h LYS 56 Cb 0.90 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 2p1i h LYS 56 CO 0.08 0.07 -1.47 -0.22 -2.06 0.00 0.00 179.45 175.85 2p1i h LYS 57 N 0.00 0.23 0.42 3.15 1.63 -1.42 -1.32 116.57 119.26 2p1i h LYS 57 Ca -0.00 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.39 2p1i h LYS 57 Cb 0.84 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2p1i h LYS 57 CO 0.01 1.10 -0.20 0.00 -3.45 0.00 0.00 179.45 176.91 2p1i h ALA 58 N 0.55 -0.56 -0.99 5.00 0.00 -1.03 -2.67 119.26 119.55 2p1i h ALA 58 Ca -0.22 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2p1i h ALA 58 Cb 2.00 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.95 2p1i h ALA 58 CO 0.16 -0.67 0.66 1.49 0.00 0.00 0.00 179.25 180.89 2p1i h GLU 59 N -0.86 1.29 0.00 0.00 4.81 -1.04 0.02 114.58 118.80 2p1i h GLU 59 Ca -0.06 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2p1i h GLU 59 Cb 0.55 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2p1i h GLU 59 CO 0.09 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 179.23 2p1i n ALA 60 N -2.37 2.47 -0.18 2.92 0.00 -0.50 -2.09 120.51 120.76 2p1i n ALA 60 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2p1i n ALA 60 Cb 0.03 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2p1i n ALA 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p1i n SER 61 N -1.04 1.45 -4.76 0.00 2.88 -0.11 -5.01 113.62 107.04 2p1i n SER 61 Ca 0.19 -1.63 -0.40 0.00 -1.33 0.00 0.00 58.87 55.69 2p1i n SER 61 Cb 0.11 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2p1i n SER 61 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2p1i n PHE 62 N -0.32 2.68 -3.87 0.66 -0.00 -0.59 -5.00 117.46 111.02 2p1i n PHE 62 Ca 0.00 0.45 -0.09 0.00 -0.00 0.00 0.00 57.45 57.81 2p1i n PHE 62 Cb 0.24 -2.46 -0.06 0.00 -0.00 0.00 0.00 39.48 37.19 2p1i n PHE 62 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.76 178.43 2p1i s TRP 63 N -1.18 0.19 0.15 -5.13 1.48 -1.26 -5.08 118.94 108.11 2p1i s TRP 63 Ca 0.59 -0.56 0.05 0.00 -1.06 0.00 0.00 56.10 55.13 2p1i s TRP 63 Cb -0.46 0.07 -0.04 0.00 -1.16 0.00 0.00 33.47 31.87 2p1i s TRP 63 CO 0.59 -0.73 -0.12 -0.08 -4.06 0.00 0.00 176.95 172.55 2p1i s THR 64 N -3.91 1.28 0.62 0.66 -1.32 -1.26 -4.99 115.64 106.71 2p1i s THR 64 Ca 0.12 -1.96 0.30 0.00 -1.21 0.00 0.00 61.69 58.94 2p1i s THR 64 Cb 0.03 -1.76 0.35 0.00 -1.51 0.00 0.00 72.50 69.61 2p1i s THR 64 CO -0.04 -0.62 1.98 0.00 -2.21 0.00 0.00 174.62 173.73 2p1i h ALA 65 N 3.00 1.76 0.00 11.08 0.00 -1.99 -0.14 119.26 132.97 2p1i h ALA 65 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2p1i h ALA 65 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2p1i h ALA 65 CO 0.59 -0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.32 2p1i h GLU 66 N 0.00 0.00 -0.13 0.00 4.39 -2.00 -3.18 114.58 113.66 2p1i h GLU 66 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2p1i h GLU 66 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2p1i h GLU 66 CO -0.00 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.24 2p1i n GLU 67 N -3.05 1.34 -0.13 2.33 1.02 -0.06 -4.05 120.64 118.04 2p1i n GLU 67 Ca 0.01 -0.53 -0.28 0.00 -0.02 0.00 0.00 57.16 56.35 2p1i n GLU 67 Cb 0.33 -1.17 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 2p1i n GLU 67 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2p1i n ILE 68 N -0.12 1.42 -3.25 -3.67 5.41 -1.20 -5.08 119.36 112.87 2p1i n ILE 68 Ca 0.07 -0.36 -0.23 0.00 1.00 0.00 0.00 62.75 63.23 2p1i n ILE 68 Cb 0.14 -1.85 0.02 0.00 -0.71 0.00 0.00 39.64 37.24 2p1i n ILE 68 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2p1i n ASP 69 N -4.15 -6.42 -0.51 4.38 9.92 -1.26 -4.77 116.55 113.74 2p1i n ASP 69 Ca -0.51 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 2p1i n ASP 69 Cb 0.86 -2.74 0.00 0.00 -0.64 0.00 0.00 41.12 38.60 2p1i n ASP 69 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2p1i n LEU 70 N 0.11 0.73 -0.34 0.64 4.77 -1.26 -4.37 117.00 117.28 2p1i n LEU 70 Ca -0.02 -0.36 0.32 0.00 -0.03 0.00 0.00 56.01 55.91 2p1i n LEU 70 Cb 0.55 -0.35 0.58 0.00 -2.33 0.00 0.00 43.42 41.87 2p1i n LEU 70 CO 0.44 0.18 1.10 0.77 -1.33 0.00 0.00 177.39 178.54 2p1i h SER 71 N 0.30 0.34 -0.01 -1.43 4.64 -1.90 -3.31 113.55 112.18 2p1i h SER 71 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2p1i h SER 71 Cb 0.36 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2p1i h SER 71 CO 0.00 -0.35 -0.01 -1.20 -0.87 0.00 0.00 176.83 174.40 2p1i n SER 72 N -5.14 1.51 -3.15 4.97 7.64 -1.26 -4.74 113.62 113.45 2p1i n SER 72 Ca 0.37 -1.25 -0.20 0.00 1.01 0.00 0.00 58.87 58.80 2p1i n SER 72 Cb 1.27 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 64.46 2p1i n SER 72 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2p1i n ASP 73 N 0.32 0.18 -0.09 6.43 10.43 -1.25 -4.60 116.55 127.96 2p1i n ASP 73 Ca 0.04 -2.90 0.06 0.00 2.57 0.00 0.00 54.79 54.56 2p1i n ASP 73 Cb 0.16 -0.40 -0.05 0.00 1.84 0.00 0.00 41.12 42.68 2p1i n ASP 73 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2p1i n LEU 74 N 0.91 0.88 -0.14 0.64 7.94 -1.26 -4.07 117.00 121.90 2p1i n LEU 74 Ca 0.21 -0.58 -0.06 0.00 -1.11 0.00 0.00 56.01 54.48 2p1i n LEU 74 Cb 0.60 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.67 2p1i n LEU 74 CO 0.18 0.19 0.87 0.07 -1.11 0.00 0.00 177.39 177.59 2p1i h LYS 75 N 0.47 0.87 -0.34 1.96 2.10 -1.95 -0.04 116.57 119.63 2p1i h LYS 75 Ca 0.00 -0.24 0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2p1i h LYS 75 Cb 0.36 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 2p1i h LYS 75 CO 0.00 0.87 0.22 -0.44 -2.00 0.00 0.00 179.45 178.09 2p1i h ASP 76 N 0.81 0.37 0.18 7.07 3.32 -1.88 0.16 116.42 126.45 2p1i h ASP 76 Ca 0.15 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 2p1i h ASP 76 Cb 0.48 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2p1i h ASP 76 CO 0.02 0.27 -0.28 0.15 -1.72 0.00 0.00 179.24 177.68 2p1i h PHE 77 N 0.45 0.19 0.09 4.55 3.04 -1.64 0.43 116.94 124.04 2p1i h PHE 77 Ca 0.13 -0.04 -0.25 0.00 3.98 0.00 0.00 57.97 61.79 2p1i h PHE 77 Cb -0.04 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 2p1i h PHE 77 CO -0.06 0.45 -1.16 0.93 -2.02 0.00 0.00 178.31 176.45 2p1i h GLU 78 N 0.15 0.22 0.00 1.11 3.07 -0.89 -3.27 114.58 114.98 2p1i h GLU 78 Ca 0.02 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.42 2p1i h GLU 78 Cb 0.59 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 2p1i h GLU 78 CO 0.04 1.15 -0.51 -0.22 -1.40 0.00 0.00 179.01 178.08 2p1i h LYS 79 N 0.07 0.00 0.00 2.33 3.64 0.14 -3.45 116.57 119.30 2p1i h LYS 79 Ca -0.10 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.09 2p1i h LYS 79 Cb 1.88 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 33.81 2p1i h LYS 79 CO 0.18 0.51 -0.09 -0.11 -2.27 0.00 0.00 179.45 177.67 2p1i n LEU 80 N -3.68 0.00 0.00 5.20 7.94 0.14 -5.07 117.00 121.53 2p1i n LEU 80 Ca -0.01 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.44 2p1i n LEU 80 Cb 0.57 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.80 2p1i n LEU 80 CO 0.40 -2.39 0.00 -3.20 -1.11 0.00 0.00 177.39 171.09 2p1i n ASN 81 N -1.85 0.00 0.00 1.96 5.15 -1.26 -4.98 115.26 114.28 2p1i n ASN 81 Ca 0.07 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 2p1i n ASN 81 Cb 0.31 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 2p1i n ASN 81 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2p1i n GLU 84 N -1.16 0.00 0.36 1.20 1.02 -1.25 -4.88 120.64 115.93 2p1i n GLU 84 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2p1i n GLU 84 Cb 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 31.44 31.31 2p1i n GLU 84 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2p1i h LYS 85 N 0.00 -0.85 0.00 3.49 1.57 -1.93 -2.45 116.57 116.40 2p1i h LYS 85 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2p1i h LYS 85 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2p1i h LYS 85 CO 0.00 -0.56 0.00 0.72 -0.57 0.00 0.00 179.45 179.04 2p1i n HIS 86 N -5.46 0.00 -0.02 -1.35 8.25 -1.26 -1.25 115.22 114.13 2p1i n HIS 86 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 2p1i n HIS 86 Cb 0.36 -0.40 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 2p1i n HIS 86 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2p1i h PHE 87 N 0.00 0.03 0.12 4.41 3.57 -1.89 -2.52 116.94 120.67 2p1i h PHE 87 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2p1i h PHE 87 Cb 0.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2p1i h PHE 87 CO 0.00 0.56 -0.06 0.82 -2.23 0.00 0.00 178.31 177.40 2p1i h ILE 88 N -0.50 0.97 -1.06 1.41 2.04 -0.99 0.38 117.51 119.75 2p1i h ILE 88 Ca 0.00 -0.33 0.29 0.00 1.00 0.00 0.00 64.86 65.82 2p1i h ILE 88 Cb 0.56 1.18 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 2p1i h ILE 88 CO 0.00 0.08 0.66 0.11 0.00 0.00 0.00 178.15 179.00 2p1i h LYS 89 N -0.32 0.39 0.00 2.37 1.57 -1.27 0.35 116.57 119.67 2p1i h LYS 89 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2p1i h LYS 89 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2p1i h LYS 89 CO 0.03 0.26 -1.27 1.58 -0.57 0.00 0.00 179.45 179.48 2p1i n HIS 90 N -4.75 0.62 -0.08 -1.35 -0.00 -0.95 -3.16 115.22 105.56 2p1i n HIS 90 Ca 0.28 0.18 -0.09 0.00 0.46 0.00 0.00 57.72 58.55 2p1i n HIS 90 Cb 0.92 -0.77 -0.02 0.00 -0.12 0.00 0.00 29.99 30.00 2p1i n HIS 90 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2p1i h VAL 91 N 0.00 1.08 -0.48 3.57 2.07 0.18 0.70 116.25 123.37 2p1i h VAL 91 Ca 0.00 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2p1i h VAL 91 Cb 0.96 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2p1i h VAL 91 CO 0.00 0.08 0.32 -0.07 0.02 0.00 0.00 177.57 177.92 2p1i h LEU 92 N 0.37 0.55 0.00 2.57 3.38 -1.39 0.15 115.31 120.94 2p1i h LEU 92 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2p1i h LEU 92 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2p1i h LEU 92 CO -0.02 0.40 -0.31 0.00 0.09 0.00 0.00 178.44 178.59 2p1i h ALA 93 N 1.70 0.85 0.02 1.53 0.00 -1.27 -2.89 119.26 119.19 2p1i h ALA 93 Ca 0.18 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2p1i h ALA 93 Cb -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.74 2p1i h ALA 93 CO -0.04 0.09 -0.71 0.35 0.00 0.00 0.00 179.25 178.94 2p1i h PHE 94 N 0.00 0.68 -0.96 0.00 -0.00 0.17 -3.23 116.94 113.60 2p1i h PHE 94 Ca -0.01 -0.38 0.22 0.00 -0.00 0.00 0.00 57.97 57.80 2p1i h PHE 94 Cb 1.06 -0.07 -0.08 0.00 -0.00 0.00 0.00 35.95 36.86 2p1i h PHE 94 CO 0.00 1.21 0.62 0.74 -0.00 0.00 0.00 178.31 180.89 2p1i h PHE 95 N -0.05 0.62 -2.83 0.41 0.04 -0.71 -3.21 116.94 111.21 2p1i h PHE 95 Ca -0.09 0.02 -0.81 0.00 2.80 0.00 0.00 57.97 59.89 2p1i h PHE 95 Cb 1.42 -0.19 -0.28 0.00 2.20 0.00 0.00 35.95 39.11 2p1i h PHE 95 CO 0.14 0.13 0.80 0.00 -0.60 0.00 0.00 178.31 178.78 2p1i n ALA 96 N -2.49 5.28 0.00 2.45 0.00 -1.10 -4.35 120.51 120.30 2p1i n ALA 96 Ca 0.21 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 48.87 2p1i n ALA 96 Cb 0.74 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2p1i n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2p1i n ALA 97 N 1.14 0.95 -2.59 0.00 0.00 -1.21 -4.95 120.51 113.85 2p1i n ALA 97 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 2p1i n ALA 97 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 2p1i n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p1i s SER 98 N -2.10 5.97 0.00 0.00 0.15 -1.26 -5.16 113.70 111.30 2p1i s SER 98 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2p1i s SER 98 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2p1i s SER 98 CO 0.00 -0.27 0.00 1.21 1.20 0.00 0.00 173.24 175.38 2p1i n GLU 104 N 5.09 0.00 -3.70 5.44 0.00 -1.26 -5.13 120.64 121.08 2p1i n GLU 104 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.67 2p1i n GLU 104 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.83 2p1i n GLU 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2p1i s ASN 105 N 0.00 5.87 0.15 4.31 3.04 -1.26 -4.93 114.94 122.12 2p1i s ASN 105 Ca 0.00 0.02 0.00 0.00 0.04 0.00 0.00 52.86 52.92 2p1i s ASN 105 Cb 0.00 -2.06 0.00 0.00 -1.54 0.00 0.00 41.25 37.65 2p1i s ASN 105 CO 0.00 0.03 0.00 0.18 -3.04 0.00 0.00 177.10 174.27 2p1i n LEU 106 N 4.50 -0.06 -0.12 3.21 4.77 -1.26 -4.83 117.00 123.21 2p1i n LEU 106 Ca -0.15 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2p1i n LEU 106 Cb 0.52 0.19 0.46 0.00 -2.33 0.00 0.00 43.42 42.26 2p1i n LEU 106 CO 0.34 -0.65 1.20 0.00 -1.33 0.00 0.00 177.39 176.94 2p1i h ALA 107 N 0.00 1.94 0.00 -1.18 0.00 -1.93 0.80 119.26 118.88 2p1i h ALA 107 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2p1i h ALA 107 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2p1i h ALA 107 CO 0.00 -0.07 -0.15 1.03 0.00 0.00 0.00 179.25 180.06 2p1i h SER 108 N 0.50 0.00 0.28 0.00 0.87 -1.91 0.75 113.55 114.04 2p1i h SER 108 Ca 0.30 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 2p1i h SER 108 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2p1i h SER 108 CO -0.09 0.15 -0.50 0.11 -0.53 0.00 0.00 176.83 175.97 2p1i h LYS 109 N 0.00 0.25 0.00 2.24 1.79 -1.16 -3.09 116.57 116.60 2p1i h LYS 109 Ca -0.00 -0.14 -0.19 0.00 -2.18 0.00 0.00 60.65 58.14 2p1i h LYS 109 Cb 0.33 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2p1i h LYS 109 CO 0.02 0.69 -1.17 0.74 -1.08 0.00 0.00 179.45 178.65 2p1i h PHE 110 N 0.20 0.00 -0.92 -1.35 -1.00 -0.89 -3.20 116.94 109.78 2p1i h PHE 110 Ca 0.01 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.88 2p1i h PHE 110 Cb 0.95 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.44 2p1i h PHE 110 CO 0.02 0.73 0.59 1.25 -1.61 0.00 0.00 178.31 179.29 2p1i h LEU 111 N 0.00 0.85 -0.28 1.54 6.46 0.50 -0.80 115.31 123.58 2p1i h LEU 111 Ca -0.12 0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.46 2p1i h LEU 111 Cb 1.66 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.44 2p1i h LEU 111 CO 0.07 0.51 -0.75 -0.09 -0.62 0.00 0.00 178.44 177.56 2p1i h ARG 112 N 0.94 0.61 0.09 1.25 2.43 -1.64 -3.39 114.38 114.68 2p1i h ARG 112 Ca 0.42 -0.50 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2p1i h ARG 112 Cb 0.37 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2p1i h ARG 112 CO -0.18 1.12 -0.05 0.93 -1.51 0.00 0.00 179.97 180.28 2p1i h GLU 113 N 0.42 -0.12 -5.64 0.20 5.08 -1.47 -3.43 114.58 109.61 2p1i h GLU 113 Ca -0.04 0.01 -0.40 0.00 -1.00 0.00 0.00 59.36 57.92 2p1i h GLU 113 Cb 1.35 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2p1i h GLU 113 CO 0.14 -0.08 1.36 0.08 -1.00 0.00 0.00 179.01 179.51 2p1i s VAL 114 N -1.96 3.08 -0.02 3.13 1.01 -0.34 -4.86 120.40 120.44 2p1i s VAL 114 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 2p1i s VAL 114 Cb 0.00 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2p1i s VAL 114 CO 0.06 -0.19 1.94 -0.62 0.00 0.00 0.00 175.10 176.28 2p1i n GLU 115 N 9.01 1.06 -4.10 2.72 -0.58 -1.26 -4.50 120.64 122.99 2p1i n GLU 115 Ca 0.35 -0.12 -0.33 0.00 -0.42 0.00 0.00 57.16 56.65 2p1i n GLU 115 Cb 0.53 -1.05 -0.16 0.00 -0.57 0.00 0.00 31.44 30.19 2p1i n GLU 115 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2p1i s ILE 116 N -0.18 2.03 0.22 -3.67 -4.36 -1.26 -5.04 121.20 108.94 2p1i s ILE 116 Ca 0.02 -1.05 -0.13 0.00 -0.26 0.00 0.00 60.65 59.23 2p1i s ILE 116 Cb 0.02 -1.91 0.27 0.00 1.25 0.00 0.00 42.46 42.09 2p1i s ILE 116 CO -0.00 0.42 1.37 -0.38 0.24 0.00 0.00 174.94 176.59 2p1i n ILE 117 N 4.60 -0.44 0.11 8.37 -0.00 -1.26 0.95 119.36 131.69 2p1i n ILE 117 Ca -0.19 2.05 0.16 0.00 -0.00 0.00 0.00 62.75 64.76 2p1i n ILE 117 Cb 0.48 -2.74 0.68 0.00 -0.00 0.00 0.00 39.64 38.06 2p1i n ILE 117 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 2p1i h GLU 118 N 0.00 0.00 0.07 0.38 3.07 -1.96 -0.52 114.58 115.62 2p1i h GLU 118 Ca 0.34 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.86 2p1i h GLU 118 Cb 0.56 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 2p1i h GLU 118 CO -0.88 0.00 -1.90 0.00 -1.40 0.00 0.00 179.01 174.82 2p1i n ALA 119 N -2.58 0.94 -0.30 3.43 0.00 0.27 -2.92 120.51 119.35 2p1i n ALA 119 Ca 0.05 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.94 2p1i n ALA 119 Cb 0.40 -0.53 0.24 0.00 0.00 0.00 0.00 19.45 19.56 2p1i n ALA 119 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2p1i h LYS 120 N -0.27 0.08 -0.47 0.00 1.57 -1.07 0.44 116.57 116.85 2p1i h LYS 120 Ca -0.44 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.39 2p1i h LYS 120 Cb 1.81 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 34.05 2p1i h LYS 120 CO -0.04 0.05 0.19 -0.22 -0.57 0.00 0.00 179.45 178.86 2p1i h LYS 121 N 0.08 0.36 -0.50 3.15 1.63 -1.17 0.18 116.57 120.31 2p1i h LYS 121 Ca 0.53 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 60.18 2p1i h LYS 121 Cb 1.03 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 2p1i h LYS 121 CO -0.78 0.24 -0.18 0.35 -3.45 0.00 0.00 179.45 175.63 2p1i h PHE 122 N 0.37 1.14 -0.09 1.91 3.04 -1.02 -2.90 116.94 119.40 2p1i h PHE 122 Ca 0.22 -0.26 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 2p1i h PHE 122 Cb 0.21 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.45 2p1i h PHE 122 CO -0.14 1.09 -0.16 1.88 -2.02 0.00 0.00 178.31 178.96 2p1i h TYR 123 N 0.86 0.33 -0.94 0.41 0.05 -0.53 -0.54 116.97 116.61 2p1i h TYR 123 Ca 0.12 -0.12 0.26 0.00 0.05 0.00 0.00 58.73 59.04 2p1i h TYR 123 Cb 0.76 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 2p1i h TYR 123 CO 0.05 0.76 0.66 0.66 -1.05 0.00 0.00 178.16 179.24 2p1i h SER 124 N -0.19 0.13 0.85 3.88 4.64 -0.71 0.81 113.55 122.95 2p1i h SER 124 Ca 0.01 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 2p1i h SER 124 Cb 0.73 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 2p1i h SER 124 CO 0.04 0.04 -1.25 0.15 -0.87 0.00 0.00 176.83 174.94 2p1i h PHE 125 N 0.12 0.00 -0.50 4.77 3.57 -1.38 -3.31 116.94 120.21 2p1i h PHE 125 Ca 0.47 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.99 2p1i h PHE 125 Cb 1.64 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 2p1i h PHE 125 CO -0.00 0.68 0.30 0.37 -2.23 0.00 0.00 178.31 177.43 2p1i h GLN 126 N 0.00 0.58 -0.18 1.11 4.15 0.84 -2.51 115.11 119.10 2p1i h GLN 126 Ca -0.14 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.14 2p1i h GLN 126 Cb 1.64 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.19 2p1i h GLN 126 CO 0.06 0.38 -0.35 0.82 -1.93 0.00 0.00 178.83 177.82 2p1i h ILE 127 N 0.60 1.29 0.52 2.39 2.04 -1.60 -0.59 117.51 122.16 2p1i h ILE 127 Ca 0.20 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 2p1i h ILE 127 Cb 0.02 1.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2p1i h ILE 127 CO -0.09 0.44 -0.25 0.00 0.00 0.00 0.00 178.15 178.24 2p1i h ALA 128 N 1.31 -0.70 0.00 1.87 0.00 -1.62 -1.51 119.26 118.61 2p1i h ALA 128 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2p1i h ALA 128 Cb 0.77 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2p1i h ALA 128 CO 0.06 -0.81 -0.02 0.28 0.00 0.00 0.00 179.25 178.76 2p1i h VAL 129 N -0.86 0.74 0.07 0.00 2.07 -1.28 -1.48 116.25 115.51 2p1i h VAL 129 Ca -0.07 -0.09 -0.25 0.00 0.82 0.00 0.00 66.70 67.11 2p1i h VAL 129 Cb 0.60 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2p1i h VAL 129 CO 0.12 0.02 -1.10 -0.08 0.02 0.00 0.00 177.57 176.55 2p1i h GLU 130 N 0.00 0.30 -0.51 1.57 4.57 -1.00 -1.12 114.58 118.39 2p1i h GLU 130 Ca -0.00 -0.43 -0.08 0.00 -1.18 0.00 0.00 59.36 57.67 2p1i h GLU 130 Cb 0.05 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2p1i h GLU 130 CO 0.00 1.15 -0.03 -0.91 -1.18 0.00 0.00 179.01 178.05 2p1i h ASN 131 N 0.13 0.84 0.07 1.04 -0.26 -0.47 -1.63 115.58 115.30 2p1i h ASN 131 Ca -0.11 -0.23 -0.07 0.00 -0.56 0.00 0.00 56.30 55.34 2p1i h ASN 131 Cb 1.79 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 2p1i h ASN 131 CO 0.18 0.92 -0.22 0.40 -1.06 0.00 0.00 177.43 177.65 2p1i h ILE 132 N 0.80 1.23 -0.71 2.81 1.08 -1.06 -2.36 117.51 119.30 2p1i h ILE 132 Ca 0.15 -1.07 -0.04 0.00 -0.39 0.00 0.00 64.86 63.51 2p1i h ILE 132 Cb 0.52 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 2p1i h ILE 132 CO 0.03 0.33 0.29 0.45 -0.69 0.00 0.00 178.15 178.56 2p1i h HIS 133 N 0.25 1.07 -0.09 1.37 3.86 -0.83 -2.74 115.15 118.05 2p1i h HIS 133 Ca 0.04 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2p1i h HIS 133 Cb 0.54 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 2p1i h HIS 133 CO 0.01 0.82 0.04 1.03 0.86 0.00 0.00 177.93 180.69 2p1i h SER 134 N 1.01 0.12 -0.32 2.45 0.87 -1.00 -2.28 113.55 114.38 2p1i h SER 134 Ca 0.24 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2p1i h SER 134 Cb 0.19 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2p1i h SER 134 CO -0.02 0.22 0.06 -0.08 -0.53 0.00 0.00 176.83 176.48 2p1i h GLU 135 N 0.01 0.63 -0.83 2.24 4.81 -1.46 -0.75 114.58 119.23 2p1i h GLU 135 Ca 0.03 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2p1i h GLU 135 Cb 0.13 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2p1i h GLU 135 CO -0.00 0.61 0.55 1.15 -0.73 0.00 0.00 179.01 180.58 2p1i h THR 136 N 0.61 1.21 -0.14 0.32 2.02 -1.15 0.43 112.91 116.20 2p1i h THR 136 Ca 0.13 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 2p1i h THR 136 Cb 0.29 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2p1i h THR 136 CO 0.00 0.20 -0.42 1.88 0.37 0.00 0.00 175.52 177.55 2p1i h TYR 137 N 1.12 0.70 -0.55 3.16 0.05 -0.76 0.16 116.97 120.85 2p1i h TYR 137 Ca 0.31 -0.28 0.07 0.00 0.05 0.00 0.00 58.73 58.88 2p1i h TYR 137 Cb -0.12 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.44 2p1i h TYR 137 CO -0.01 1.04 0.22 1.03 -1.05 0.00 0.00 178.16 179.38 2p1i h SER 138 N 0.17 0.24 -0.43 3.88 0.87 -0.83 0.61 113.55 118.05 2p1i h SER 138 Ca -0.01 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2p1i h SER 138 Cb 1.04 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 2p1i h SER 138 CO 0.09 0.16 0.18 0.25 -0.53 0.00 0.00 176.83 176.98 2p1i h LEU 139 N 0.41 0.22 -0.05 2.23 5.85 0.13 0.40 115.31 124.50 2p1i h LEU 139 Ca 0.26 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2p1i h LEU 139 Cb 0.28 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2p1i h LEU 139 CO -0.25 0.16 0.03 -0.07 -0.34 0.00 0.00 178.44 177.97 2p1i h LEU 140 N 0.36 0.06 -2.03 2.25 4.07 0.38 -2.28 115.31 118.12 2p1i h LEU 140 Ca 0.20 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 2p1i h LEU 140 Cb 0.16 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 2p1i h LEU 140 CO -0.18 0.07 -0.09 0.40 -1.08 0.00 0.00 178.44 177.56 2p1i h ILE 141 N 0.03 0.66 0.00 1.22 2.04 0.58 -0.31 117.51 121.73 2p1i h ILE 141 Ca 0.02 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2p1i h ILE 141 Cb 0.03 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2p1i h ILE 141 CO -0.00 0.09 -0.29 -0.78 0.00 0.00 0.00 178.15 177.17 2p1i h ASP 142 N 0.00 0.00 0.00 1.72 -0.00 -0.36 -2.41 116.42 115.37 2p1i h ASP 142 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.03 56.65 2p1i h ASP 142 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.49 2p1i h ASP 142 CO 0.01 0.29 -2.43 0.59 -0.00 0.00 0.00 179.24 177.69 2p1i n ASN 143 N -3.84 2.04 0.18 2.28 3.02 -0.30 -3.58 115.26 115.06 2p1i n ASN 143 Ca -0.01 -0.11 0.05 0.00 -0.03 0.00 0.00 54.58 54.47 2p1i n ASN 143 Cb 0.37 -0.42 0.26 0.00 -0.61 0.00 0.00 39.78 39.39 2p1i n ASN 143 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2p1i h TYR 144 N -0.05 0.00 -0.88 3.10 -1.99 -1.27 -3.30 116.97 112.58 2p1i h TYR 144 Ca -0.57 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 59.75 2p1i h TYR 144 Cb 1.86 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 40.18 2p1i h TYR 144 CO 0.02 0.42 -0.99 -0.89 -0.00 0.00 0.00 178.16 176.72 2p1i n ILE 145 N -3.46 1.73 -0.24 -2.88 5.41 -0.90 -4.99 119.36 114.02 2p1i n ILE 145 Ca 0.00 -3.68 0.01 0.00 1.00 0.00 0.00 62.75 60.08 2p1i n ILE 145 Cb 0.56 0.02 0.08 0.00 -0.71 0.00 0.00 39.64 39.60 2p1i n ILE 145 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2p1i h LYS 146 N 2.60 0.00 -5.66 0.38 1.57 -1.65 -3.41 116.57 110.41 2p1i h LYS 146 Ca 0.08 -0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.27 2p1i h LYS 146 Cb 1.24 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 2p1i h LYS 146 CO 0.54 0.00 0.02 -0.51 -0.57 0.00 0.00 179.45 178.93 2p1i s ASP 147 N -5.24 6.66 0.00 0.86 1.01 -1.26 -4.89 116.67 113.82 2p1i s ASP 147 Ca -0.14 0.80 0.00 0.00 0.71 0.00 0.00 52.55 53.92 2p1i s ASP 147 Cb 0.21 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.81 2p1i s ASP 147 CO 0.74 -0.19 0.49 1.21 0.21 0.00 0.00 175.17 177.64 2p1i n GLU 148 N 4.65 0.72 0.00 8.23 2.13 -1.26 -3.54 120.64 131.57 2p1i n GLU 148 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2p1i n GLU 148 Cb 0.50 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.99 2p1i n GLU 148 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2p1i n LYS 149 N -0.10 0.89 0.00 5.31 4.76 -1.26 -4.04 118.16 123.72 2p1i n LYS 149 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2p1i n LYS 149 Cb 0.11 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2p1i n LYS 149 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2p1i n GLU 150 N 0.47 0.00 -0.63 1.97 -0.58 -1.23 -4.52 120.64 116.12 2p1i n GLU 150 Ca 0.00 0.00 0.49 0.00 -0.42 0.00 0.00 57.16 57.23 2p1i n GLU 150 Cb 0.40 -0.16 0.77 0.00 -0.57 0.00 0.00 31.44 31.89 2p1i n GLU 150 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2p1i n ARG 151 N -1.91 -0.01 -0.08 3.49 0.63 -1.26 0.22 116.66 117.75 2p1i n ARG 151 Ca 0.00 1.14 -0.10 0.00 -0.92 0.00 0.00 57.85 57.96 2p1i n ARG 151 Cb 0.00 -2.49 -0.04 0.00 0.45 0.00 0.00 32.46 30.39 2p1i n ARG 151 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2p1i h LEU 152 N 0.00 0.37 -2.27 6.15 3.38 -1.83 0.69 115.31 121.80 2p1i h LEU 152 Ca 0.92 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.68 2p1i h LEU 152 Cb 3.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 44.11 2p1i h LEU 152 CO -0.16 0.48 0.00 -3.20 0.09 0.00 0.00 178.44 175.64 2p1i n ASN 153 N -4.74 3.01 0.00 -0.43 2.85 0.20 -3.18 115.26 112.97 2p1i n ASN 153 Ca -0.03 -1.88 0.00 0.00 -0.11 0.00 0.00 54.58 52.56 2p1i n ASN 153 Cb 0.16 -0.19 0.00 0.00 1.24 0.00 0.00 39.78 40.99 2p1i n ASN 153 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2p1i n LEU 154 N 1.08 0.24 -0.06 1.20 -0.00 0.60 -4.57 117.00 115.49 2p1i n LEU 154 Ca 0.15 0.01 -0.08 0.00 -0.00 0.00 0.00 56.01 56.09 2p1i n LEU 154 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.89 2p1i n LEU 154 CO 0.12 0.00 0.82 -0.26 -0.00 0.00 0.00 177.39 178.07 2p1i h PHE 155 N 0.00 -0.13 -2.89 1.96 -1.00 0.29 -2.92 116.94 112.25 2p1i h PHE 155 Ca 0.00 0.02 -0.56 0.00 2.81 0.00 0.00 57.97 60.24 2p1i h PHE 155 Cb 0.00 0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 2p1i h PHE 155 CO 0.00 -0.11 0.91 -1.01 -1.61 0.00 0.00 178.31 176.49 2p1i s HIS 156 N -6.21 2.77 0.00 -0.55 3.76 -1.19 -5.11 115.29 108.76 2p1i s HIS 156 Ca -0.14 0.92 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 2p1i s HIS 156 Cb 0.11 -3.55 0.00 0.00 1.11 0.00 0.00 32.58 30.25 2p1i s HIS 156 CO 0.69 -1.96 0.00 0.00 -0.85 0.00 0.00 174.74 172.62 2p1i n ALA 157 N 6.51 0.00 0.20 -1.40 0.00 -1.11 -4.11 120.51 120.60 2p1i n ALA 157 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2p1i n ALA 157 Cb 0.45 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.64 2p1i n ALA 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2p1i h PRO 162 N 0.00 0.00 -0.30 0.00 0.11 -1.99 -3.48 132.00 126.34 2p1i h PRO 162 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2p1i h PRO 162 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2p1i h PRO 162 CO 0.00 0.00 0.15 0.00 -0.21 0.00 0.00 178.00 177.94 2p1i h ALA 163 N 1.89 1.70 -0.17 -0.75 0.00 -1.93 0.83 119.26 120.82 2p1i h ALA 163 Ca 0.07 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2p1i h ALA 163 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2p1i h ALA 163 CO -0.00 0.25 -0.44 0.82 0.00 0.00 0.00 179.25 179.88 2p1i h ILE 164 N 0.41 1.31 -0.11 0.00 1.08 -1.96 0.25 117.51 118.49 2p1i h ILE 164 Ca 0.11 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 62.96 2p1i h ILE 164 Cb 0.03 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 2p1i h ILE 164 CO -0.02 0.50 0.07 0.50 -0.69 0.00 0.00 178.15 178.51 2p1i h LYS 165 N 0.34 0.16 0.25 2.37 3.64 -1.73 0.08 116.57 121.68 2p1i h LYS 165 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2p1i h LYS 165 Cb 0.91 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2p1i h LYS 165 CO 0.08 0.17 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.39 2p1i h ASN 166 N 0.10 -0.29 -0.65 4.20 2.35 -0.83 -2.26 115.58 118.19 2p1i h ASN 166 Ca 0.04 -0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.80 2p1i h ASN 166 Cb 0.05 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 2p1i h ASN 166 CO -0.01 -0.10 0.31 0.50 -1.65 0.00 0.00 177.43 176.48 2p1i h LYS 167 N -0.46 0.52 -0.02 0.81 3.64 -0.46 -2.23 116.57 118.38 2p1i h LYS 167 Ca -0.03 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2p1i h LYS 167 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2p1i h LYS 167 CO 0.06 0.34 -0.20 0.00 -2.27 0.00 0.00 179.45 177.39 2p1i h ALA 168 N 1.40 0.05 -0.38 5.00 0.00 -0.99 -2.50 119.26 121.84 2p1i h ALA 168 Ca 0.32 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2p1i h ALA 168 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2p1i h ALA 168 CO -0.26 0.04 0.08 -0.07 0.00 0.00 0.00 179.25 179.04 2p1i h LEU 169 N -0.46 0.51 -0.49 0.00 3.38 -1.34 0.15 115.31 117.06 2p1i h LEU 169 Ca -0.02 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2p1i h LEU 169 Cb 0.90 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2p1i h LEU 169 CO 0.04 0.53 -0.08 -0.25 0.09 0.00 0.00 178.44 178.77 2p1i h TRP 170 N 0.55 1.03 -0.34 1.13 7.01 -1.48 -0.76 115.95 123.09 2p1i h TRP 170 Ca 0.13 -0.21 0.02 0.00 2.11 0.00 0.00 58.89 60.94 2p1i h TRP 170 Cb 0.23 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 2p1i h TRP 170 CO 0.01 0.98 0.22 0.00 -2.79 0.00 0.00 178.44 176.86 2p1i h ALA 171 N 0.90 1.86 -0.01 2.65 0.00 -0.88 -1.57 119.26 122.22 2p1i h ALA 171 Ca 0.13 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 2p1i h ALA 171 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2p1i h ALA 171 CO 0.04 0.10 -0.85 0.00 0.00 0.00 0.00 179.25 178.54 2p1i h ALA 172 N 1.80 0.53 0.10 0.00 0.00 -0.10 -1.79 119.26 119.80 2p1i h ALA 172 Ca 0.13 -0.70 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 2p1i h ALA 172 Cb 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2p1i h ALA 172 CO -0.03 0.87 -1.02 -0.22 0.00 0.00 0.00 179.25 178.85 2p1i h LYS 173 N 0.14 0.51 0.00 0.00 3.64 -0.78 -3.43 116.57 116.66 2p1i h LYS 173 Ca -0.04 -0.69 -0.14 0.00 -1.27 0.00 0.00 60.65 58.50 2p1i h LYS 173 Cb 1.46 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.49 2p1i h LYS 173 CO 0.13 1.30 -1.40 0.91 -2.27 0.00 0.00 179.45 178.12 2p1i n TRP 174 N -3.95 0.00 -1.66 1.91 7.02 -0.62 -4.99 117.44 115.15 2p1i n TRP 174 Ca -0.13 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.05 2p1i n TRP 174 Cb 0.89 -0.59 0.17 0.00 -2.42 0.00 0.00 31.31 29.35 2p1i n TRP 174 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2p1i s ILE 175 N -2.68 1.92 -0.53 -0.99 1.01 -0.67 -4.09 121.20 115.17 2p1i s ILE 175 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 2p1i s ILE 175 Cb 0.07 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.77 2p1i s ILE 175 CO 0.40 0.00 0.16 0.59 0.00 0.00 0.00 174.94 176.08 2p1i n ASN 176 N -3.89 -0.46 -4.64 3.58 3.02 -1.26 -4.57 115.26 107.05 2p1i n ASN 176 Ca 0.11 -0.35 -0.21 0.00 -0.03 0.00 0.00 54.58 54.10 2p1i n ASN 176 Cb 0.60 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.35 2p1i n ASN 176 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2p1i n ASP 177 N -0.16 2.25 -3.16 6.41 2.03 -1.26 -5.07 116.55 117.60 2p1i n ASP 177 Ca 0.02 -2.56 -0.23 0.00 0.52 0.00 0.00 54.79 52.54 2p1i n ASP 177 Cb 0.13 -0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 2p1i n ASP 177 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2p1i n THR 178 N -1.93 1.16 0.00 5.18 5.66 -1.26 -4.93 114.28 118.17 2p1i n THR 178 Ca 0.07 -4.89 0.00 0.00 -3.05 0.00 0.00 64.05 56.18 2p1i n THR 178 Cb 0.56 -1.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.07 2p1i n THR 178 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2p1i n ASN 179 N 0.44 0.00 -4.04 1.09 5.15 -1.26 -5.15 115.26 111.50 2p1i n ASN 179 Ca 0.27 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.05 2p1i n ASN 179 Cb 0.51 0.03 -0.15 0.00 -0.53 0.00 0.00 39.78 39.64 2p1i n ASN 179 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2p1i s SER 180 N -0.40 1.28 0.20 1.20 0.01 -1.26 -5.03 113.70 109.69 2p1i s SER 180 Ca 0.00 -0.20 0.07 0.00 1.31 0.00 0.00 55.95 57.14 2p1i s SER 180 Cb 0.00 -0.22 0.10 0.00 0.21 0.00 0.00 66.02 66.11 2p1i s SER 180 CO 0.00 0.11 1.46 0.15 0.41 0.00 0.00 173.24 175.37 2p1i h PHE 181 N 6.06 0.08 -0.31 2.43 3.57 -2.00 -2.91 116.94 123.87 2p1i h PHE 181 Ca -0.32 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.20 2p1i h PHE 181 Cb 1.17 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.82 2p1i h PHE 181 CO 0.42 0.82 -0.27 0.00 -2.23 0.00 0.00 178.31 177.05 2p1i h ALA 182 N 1.16 -0.13 -0.33 2.41 0.00 -1.96 -2.70 119.26 117.72 2p1i h ALA 182 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2p1i h ALA 182 Cb 1.39 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 2p1i h ALA 182 CO 0.11 -0.68 -0.16 0.93 0.00 0.00 0.00 179.25 179.45 2p1i h GLU 183 N -0.24 -0.11 -0.20 0.00 5.08 -1.95 -2.34 114.58 114.83 2p1i h GLU 183 Ca 0.15 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2p1i h GLU 183 Cb 0.49 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2p1i h GLU 183 CO -0.44 -0.07 -0.10 0.00 -1.00 0.00 0.00 179.01 177.40 2p1i h ARG 184 N -0.11 -0.07 -0.86 2.33 3.08 -1.29 0.50 114.38 117.95 2p1i h ARG 184 Ca 0.17 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2p1i h ARG 184 Cb 0.37 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 2p1i h ARG 184 CO -0.40 -0.05 0.51 0.82 -1.07 0.00 0.00 179.97 179.78 2p1i h ILE 185 N -0.08 1.24 0.01 2.04 2.04 -1.37 0.48 117.51 121.87 2p1i h ILE 185 Ca 0.11 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2p1i h ILE 185 Cb 0.24 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2p1i h ILE 185 CO -0.25 0.25 -0.01 0.58 0.00 0.00 0.00 178.15 178.73 2p1i h VAL 186 N 1.19 1.12 -0.86 1.67 2.07 -0.79 0.28 116.25 120.93 2p1i h VAL 186 Ca 0.31 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2p1i h VAL 186 Cb -0.04 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2p1i h VAL 186 CO -0.06 0.11 0.54 0.00 0.02 0.00 0.00 177.57 178.18 2p1i h ALA 187 N 0.79 1.16 -0.21 1.67 0.00 -0.68 -1.84 119.26 120.15 2p1i h ALA 187 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2p1i h ALA 187 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2p1i h ALA 187 CO 0.00 0.33 -0.27 -0.97 0.00 0.00 0.00 179.25 178.34 2p1i h ASN 188 N 1.02 0.40 0.22 0.00 -1.24 0.27 -0.93 115.58 115.32 2p1i h ASN 188 Ca 0.36 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 57.20 2p1i h ASN 188 Cb 0.10 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 2p1i h ASN 188 CO -0.15 0.67 -0.16 0.00 -1.29 0.00 0.00 177.43 176.50 2p1i h ALA 189 N 1.36 1.57 0.04 1.57 0.00 -0.06 -1.84 119.26 121.91 2p1i h ALA 189 Ca 0.05 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2p1i h ALA 189 Cb 0.66 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.45 2p1i h ALA 189 CO 0.05 0.20 -0.87 0.00 0.00 0.00 0.00 179.25 178.63 2p1i h VAL 191 N 0.06 0.57 -0.75 0.00 2.07 -1.04 0.72 116.25 117.88 2p1i h VAL 191 Ca -0.12 -0.04 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 2p1i h VAL 191 Cb 1.57 0.46 -0.13 0.00 -1.52 0.00 0.00 31.29 31.67 2p1i h VAL 191 CO 0.17 0.02 0.27 -0.62 0.02 0.00 0.00 177.57 177.43 2p1i n GLU 192 N -5.25 3.76 0.06 1.57 1.02 -0.70 -3.69 120.64 117.41 2p1i n GLU 192 Ca 0.06 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 2p1i n GLU 192 Cb 0.29 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 2p1i n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p1i n GLY 193 N -0.15 -0.43 0.10 0.62 0.00 -0.95 -3.97 105.19 100.41 2p1i n GLY 193 Ca 0.41 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 2p1i n GLY 193 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2p1i h ILE 194 N 0.00 1.10 -3.86 -0.61 2.04 0.20 -3.40 117.51 112.98 2p1i h ILE 194 Ca 0.00 -2.27 -0.52 0.00 1.00 0.00 0.00 64.86 63.08 2p1i h ILE 194 Cb 0.00 2.57 0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2p1i h ILE 194 CO 0.00 0.49 0.57 -0.76 0.00 0.00 0.00 178.15 178.45 2p1i s LEU 195 N -7.82 4.45 0.00 1.44 1.43 -0.20 -1.97 118.68 116.00 2p1i s LEU 195 Ca -0.25 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 2p1i s LEU 195 Cb 0.04 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2p1i s LEU 195 CO 0.66 -0.41 0.00 0.49 0.23 0.00 0.00 176.35 177.32 2p1i n PHE 196 N 0.88 0.00 -0.29 0.29 3.72 -1.26 -4.73 117.46 116.07 2p1i n PHE 196 Ca -0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2p1i n PHE 196 Cb 0.43 -0.57 0.19 0.00 -0.94 0.00 0.00 39.48 38.59 2p1i n PHE 196 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2p1i h SER 197 N 0.00 0.60 -0.24 4.37 0.87 -1.62 0.48 113.55 118.01 2p1i h SER 197 Ca 0.00 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2p1i h SER 197 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2p1i h SER 197 CO 0.00 0.30 0.12 1.23 -0.53 0.00 0.00 176.83 177.96 2p1i h GLY 198 N 0.70 0.31 1.71 5.77 0.00 -1.90 -2.70 103.07 106.97 2p1i h GLY 198 Ca 0.42 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.53 2p1i h GLY 198 CO -0.30 0.08 -0.55 1.76 0.00 0.00 0.00 176.54 177.53 2p1i h SER 199 N 0.26 0.33 -0.44 0.19 0.02 -1.61 -1.91 113.55 110.39 2p1i h SER 199 Ca 0.09 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 2p1i h SER 199 Cb 0.02 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2p1i h SER 199 CO -0.06 0.82 -0.15 -0.26 -1.14 0.00 0.00 176.83 176.04 2p1i h PHE 200 N 0.23 0.99 -0.44 3.45 0.05 -0.16 -3.10 116.94 117.96 2p1i h PHE 200 Ca 0.00 -0.23 -0.08 0.00 3.82 0.00 0.00 57.97 61.49 2p1i h PHE 200 Cb 1.04 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.73 2p1i h PHE 200 CO 0.02 0.99 -0.04 0.00 -0.18 0.00 0.00 178.31 179.10 2p1i h ALA 202 N 1.27 1.60 0.07 0.00 0.00 -1.29 -2.61 119.26 118.30 2p1i h ALA 202 Ca 0.13 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2p1i h ALA 202 Cb 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2p1i h ALA 202 CO 0.02 0.20 -1.09 0.82 0.00 0.00 0.00 179.25 179.20 2p1i h ILE 203 N 0.00 1.49 -0.11 0.00 2.04 -1.43 -2.76 117.51 116.75 2p1i h ILE 203 Ca -0.00 -2.86 0.03 0.00 1.00 0.00 0.00 64.86 63.03 2p1i h ILE 203 Cb 0.31 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2p1i h ILE 203 CO 0.02 0.84 0.08 -0.26 0.00 0.00 0.00 178.15 178.82 2p1i h PHE 204 N 0.11 0.01 -0.86 1.37 -1.00 -1.23 -1.19 116.94 114.16 2p1i h PHE 204 Ca -0.10 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.80 2p1i h PHE 204 Cb 1.78 -0.00 -0.06 0.00 3.61 0.00 0.00 35.95 41.27 2p1i h PHE 204 CO 0.05 0.01 0.56 2.35 -1.61 0.00 0.00 178.31 179.67 2p1i h TRP 205 N 0.01 0.86 0.00 -0.55 2.91 -1.16 0.36 115.95 118.39 2p1i h TRP 205 Ca 0.05 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.97 2p1i h TRP 205 Cb 0.18 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 2p1i h TRP 205 CO -0.00 0.37 -0.58 0.74 -1.03 0.00 0.00 178.44 177.95 2p1i h PHE 206 N 0.78 0.00 -0.35 2.65 -1.00 -1.31 -3.12 116.94 114.60 2p1i h PHE 206 Ca 0.41 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.13 2p1i h PHE 206 Cb 0.52 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 2p1i h PHE 206 CO -0.00 0.58 -0.04 -0.22 -1.61 0.00 0.00 178.31 177.01 2p1i h LYS 207 N 0.00 0.56 0.00 1.51 3.64 0.21 -1.95 116.57 120.54 2p1i h LYS 207 Ca -0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2p1i h LYS 207 Cb 1.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2p1i h LYS 207 CO 0.07 0.61 0.00 -0.22 -2.27 0.00 0.00 179.45 177.65 2p1i h LYS 208 N 0.53 0.00 -0.57 1.90 1.63 -0.58 -2.63 116.57 116.85 2p1i h LYS 208 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2p1i h LYS 208 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2p1i h LYS 208 CO 0.02 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.06 2p1i n GLN 209 N -3.01 3.07 -3.75 1.90 6.02 -0.77 -4.95 117.38 115.88 2p1i n GLN 209 Ca -0.02 -2.57 -0.22 0.00 -0.01 0.00 0.00 57.00 54.18 2p1i n GLN 209 Cb 0.14 -1.59 0.02 0.00 1.02 0.00 0.00 30.24 29.83 2p1i n GLN 209 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2p1i n ASN 210 N 1.03 -1.07 -4.22 1.08 4.13 -0.99 -4.99 115.26 110.23 2p1i n ASN 210 Ca 0.21 -0.85 -0.13 0.00 1.68 0.00 0.00 54.58 55.49 2p1i n ASN 210 Cb 0.66 -3.87 -0.10 0.00 -1.54 0.00 0.00 39.78 34.93 2p1i n ASN 210 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2p1i s LYS 211 N -6.09 1.00 -1.19 3.52 1.02 -0.96 -4.95 119.74 112.09 2p1i s LYS 211 Ca 0.02 -1.44 -0.06 0.00 0.02 0.00 0.00 55.97 54.51 2p1i s LYS 211 Cb -0.01 -0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 36.87 2p1i s LYS 211 CO 0.83 -0.00 0.82 1.28 -0.92 0.00 0.00 175.35 177.35 2p1i n LEU 212 N -0.16 -3.84 -1.28 3.17 4.77 -1.26 -4.25 117.00 114.15 2p1i n LEU 212 Ca -0.10 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2p1i n LEU 212 Cb 0.61 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 2p1i n LEU 212 CO 0.32 0.34 0.00 0.00 -1.33 0.00 0.00 177.39 176.72 2p1i n HIS 213 N -3.96 0.00 -0.93 -1.77 1.44 -1.26 -0.79 115.22 107.95 2p1i n HIS 213 Ca -0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 2p1i n HIS 213 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 2p1i n HIS 213 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2p1i n GLY 214 N -0.25 0.56 0.28 -1.39 0.00 -1.26 -4.66 105.19 98.48 2p1i n GLY 214 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2p1i n GLY 214 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2p1i h LEU 215 N 0.00 0.81 0.00 0.99 5.85 -1.33 -2.80 115.31 118.83 2p1i h LEU 215 Ca 0.00 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.34 2p1i h LEU 215 Cb 0.12 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2p1i h LEU 215 CO 0.00 0.91 -1.83 0.35 -0.34 0.00 0.00 178.44 177.53 2p1i n THR 216 N -4.18 0.82 -0.04 1.05 -2.24 -0.76 -2.86 114.28 106.07 2p1i n THR 216 Ca 0.02 -0.66 -0.16 0.00 -2.27 0.00 0.00 64.05 60.98 2p1i n THR 216 Cb 0.34 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 2p1i n THR 216 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2p1i h PHE 217 N 0.00 0.77 0.38 4.78 3.57 -1.80 -0.46 116.94 124.18 2p1i h PHE 217 Ca -0.20 -0.32 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 2p1i h PHE 217 Cb 1.53 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2p1i h PHE 217 CO 0.00 1.10 -0.18 0.66 -2.23 0.00 0.00 178.31 177.66 2p1i h SER 218 N 0.23 -0.43 -1.47 0.41 4.64 -1.68 -2.70 113.55 112.55 2p1i h SER 218 Ca -0.02 -0.07 0.43 0.00 -0.47 0.00 0.00 61.79 61.65 2p1i h SER 218 Cb 1.14 0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2p1i h SER 218 CO 0.11 -0.19 1.07 -1.13 -0.87 0.00 0.00 176.83 175.81 2p1i h ASN 219 N -0.65 0.00 -0.17 4.97 -1.24 -1.46 0.76 115.58 117.79 2p1i h ASN 219 Ca -0.05 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.80 2p1i h ASN 219 Cb 0.47 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.53 2p1i h ASN 219 CO 0.08 0.00 -0.53 -0.33 -1.29 0.00 0.00 177.43 175.36 2p1i h GLU 220 N 0.00 0.65 -0.10 6.67 5.08 -0.78 -1.59 114.58 124.51 2p1i h GLU 220 Ca 0.70 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2p1i h GLU 220 Cb 2.82 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.16 2p1i h GLU 220 CO -0.01 1.10 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.74 2p1i h LEU 221 N 0.33 0.43 -0.59 1.33 3.38 0.74 -2.26 115.31 118.67 2p1i h LEU 221 Ca -0.02 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 2p1i h LEU 221 Cb 1.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2p1i h LEU 221 CO 0.11 0.96 0.21 0.40 0.09 0.00 0.00 178.44 180.21 2p1i h ILE 222 N -0.08 1.24 -0.64 1.22 2.04 -1.06 0.33 117.51 120.56 2p1i h ILE 222 Ca -0.01 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 2p1i h ILE 222 Cb 0.91 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2p1i h ILE 222 CO 0.06 0.29 0.06 0.77 0.00 0.00 0.00 178.15 179.34 2p1i h SER 223 N 0.82 1.05 -0.68 1.72 4.64 -1.35 0.18 113.55 119.93 2p1i h SER 223 Ca 0.19 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 2p1i h SER 223 Cb 0.25 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 2p1i h SER 223 CO -0.01 1.07 0.17 -0.09 -0.87 0.00 0.00 176.83 177.10 2p1i h ARG 224 N 0.99 1.08 -0.02 4.77 2.43 -1.33 -1.12 114.38 121.18 2p1i h ARG 224 Ca 0.19 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2p1i h ARG 224 Cb 0.49 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2p1i h ARG 224 CO 0.02 0.95 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.99 2p1i h ASP 225 N 1.01 0.03 0.68 -3.80 5.19 -0.61 -1.97 116.42 116.95 2p1i h ASP 225 Ca 0.21 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2p1i h ASP 225 Cb 0.35 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2p1i h ASP 225 CO 0.00 0.33 0.00 -0.62 -3.12 0.00 0.00 179.24 175.83 2p1i n GLU 226 N -4.92 0.14 -0.13 3.56 -0.58 0.61 -1.32 120.64 118.00 2p1i n GLU 226 Ca -0.08 0.37 -0.12 0.00 -0.42 0.00 0.00 57.16 56.91 2p1i n GLU 226 Cb 0.17 -1.76 -0.02 0.00 -0.57 0.00 0.00 31.44 29.27 2p1i n GLU 226 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2p1i h GLY 227 N 2.40 1.00 1.00 0.62 0.00 -0.48 -2.69 103.07 104.92 2p1i h GLY 227 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.37 2p1i h GLY 227 CO 0.00 0.87 0.35 -2.00 0.00 0.00 0.00 176.54 175.76 2p1i h LEU 228 N 0.75 0.70 -1.22 3.11 5.85 -0.62 -2.14 115.31 121.74 2p1i h LEU 228 Ca 0.08 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2p1i h LEU 228 Cb 0.87 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2p1i h LEU 228 CO 0.08 0.55 -0.28 0.45 -0.34 0.00 0.00 178.44 178.90 2p1i h HIS 229 N 0.79 0.00 -0.01 1.25 -0.00 -1.51 -2.12 115.15 113.55 2p1i h HIS 229 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 2p1i h HIS 229 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2p1i h HIS 229 CO -0.02 0.28 -0.01 1.15 -0.00 0.00 0.00 177.93 179.33 2p1i h THR 230 N 0.00 1.44 -0.32 2.45 2.02 -1.10 -2.43 112.91 114.97 2p1i h THR 230 Ca -0.00 -1.30 0.09 0.00 0.77 0.00 0.00 66.41 65.97 2p1i h THR 230 Cb 0.72 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2p1i h THR 230 CO 0.04 0.34 0.27 0.44 0.37 0.00 0.00 175.52 176.98 2p1i h ASP 231 N -0.53 0.00 0.21 4.18 3.45 -1.16 -2.85 116.42 119.71 2p1i h ASP 231 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2p1i h ASP 231 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2p1i h ASP 231 CO 0.00 0.00 -0.10 0.15 -1.57 0.00 0.00 179.24 177.72 2p1i h PHE 232 N 0.00 -0.26 -0.13 4.55 3.57 -1.10 -2.77 116.94 120.81 2p1i h PHE 232 Ca 0.15 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2p1i h PHE 232 Cb 0.70 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2p1i h PHE 232 CO 0.00 0.02 0.31 -0.91 -2.23 0.00 0.00 178.31 175.50 2p1i h ASN 233 N -1.01 0.00 -0.34 0.41 2.35 -1.23 0.27 115.58 116.03 2p1i h ASN 233 Ca -0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2p1i h ASN 233 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2p1i h ASN 233 CO 0.05 0.00 0.03 0.00 -1.65 0.00 0.00 177.43 175.85 2p1i h LEU 235 N 0.40 0.62 -0.90 0.00 5.85 -0.21 0.17 115.31 121.24 2p1i h LEU 235 Ca 0.10 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2p1i h LEU 235 Cb 0.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2p1i h LEU 235 CO 0.01 0.76 -0.47 0.40 -0.34 0.00 0.00 178.44 178.80 2p1i h ILE 236 N 0.59 1.13 0.01 4.05 5.03 -1.26 -0.93 117.51 126.14 2p1i h ILE 236 Ca 0.11 -1.74 -0.20 0.00 -0.12 0.00 0.00 64.86 62.90 2p1i h ILE 236 Cb 0.51 1.99 -0.02 0.00 -3.03 0.00 0.00 36.82 36.27 2p1i h ILE 236 CO 0.03 0.46 -0.96 0.22 -0.68 0.00 0.00 178.15 177.22 2p1i h TYR 237 N 0.00 0.09 0.00 1.37 5.03 -0.72 -2.65 116.97 120.10 2p1i h TYR 237 Ca -0.00 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 2p1i h TYR 237 Cb 0.96 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.23 2p1i h TYR 237 CO 0.00 0.97 -0.08 1.03 -1.32 0.00 0.00 178.16 178.76 2p1i h SER 238 N 0.02 0.00 -0.41 -2.11 0.87 -0.18 -2.74 113.55 109.00 2p1i h SER 238 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2p1i h SER 238 Cb 1.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2p1i h SER 238 CO 0.13 0.08 0.00 0.18 -0.53 0.00 0.00 176.83 176.69 2p1i n LEU 239 N -3.24 3.13 -4.76 2.23 4.77 -0.40 -4.97 117.00 113.76 2p1i n LEU 239 Ca 0.00 -1.85 -0.36 0.00 -0.03 0.00 0.00 56.01 53.77 2p1i n LEU 239 Cb 0.32 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2p1i n LEU 239 CO 0.29 0.76 0.83 -0.22 -1.33 0.00 0.00 177.39 177.71 2p1i s LEU 240 N -1.04 3.74 -0.03 2.23 2.96 -1.00 -4.96 118.68 120.58 2p1i s LEU 240 Ca 0.30 2.32 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 2p1i s LEU 240 Cb 0.16 -4.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.30 2p1i s LEU 240 CO 0.21 -1.39 -0.02 -0.33 -1.32 0.00 0.00 176.35 173.50 2p1i h GLU 241 N 1.13 0.00 -3.77 1.98 5.08 -1.91 -3.41 114.58 113.68 2p1i h GLU 241 Ca -0.50 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.07 2p1i h GLU 241 Cb 1.28 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.26 2p1i h GLU 241 CO 0.56 0.00 0.10 -0.80 -1.00 0.00 0.00 179.01 177.87 2p1i s ASN 242 N -3.78 6.70 0.65 1.42 -0.87 -1.26 -5.04 114.94 112.77 2p1i s ASN 242 Ca -0.01 -2.82 -0.15 0.00 -1.57 0.00 0.00 52.86 48.31 2p1i s ASN 242 Cb 0.00 -2.18 -0.00 0.00 -0.02 0.00 0.00 41.25 39.05 2p1i s ASN 242 CO 0.02 -0.52 1.09 -0.54 -2.57 0.00 0.00 177.10 174.59 2p1i s LYS 243 N -0.04 2.89 0.65 -0.60 3.01 -1.26 -4.94 119.74 119.44 2p1i s LYS 243 Ca 0.19 1.30 -0.14 0.00 -1.01 0.00 0.00 55.97 56.32 2p1i s LYS 243 Cb -0.11 -1.97 -0.01 0.00 -1.01 0.00 0.00 37.83 34.74 2p1i s LYS 243 CO -0.09 -1.17 1.07 -0.51 0.51 0.00 0.00 175.35 175.17 2p1i s LEU 244 N -4.90 3.34 0.11 3.17 1.43 -1.26 -5.01 118.68 115.56 2p1i s LEU 244 Ca 0.65 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 2p1i s LEU 244 Cb -0.19 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 2p1i s LEU 244 CO 0.42 -1.43 1.23 -2.84 0.23 0.00 0.00 176.35 173.96 2p1i s PRO 245 N -4.38 4.43 0.38 1.29 0.02 -1.26 -4.88 135.00 130.60 2p1i s PRO 245 Ca 0.63 1.85 0.30 0.00 0.02 0.00 0.00 61.00 63.80 2p1i s PRO 245 Cb -0.17 -3.30 1.26 0.00 0.02 0.00 0.00 34.50 32.31 2p1i s PRO 245 CO 0.44 -0.24 1.26 -1.91 -0.33 0.00 0.00 177.00 176.23 2p1i n GLU 246 N 3.51 -0.02 0.00 5.54 2.13 -1.26 -0.75 120.64 129.79 2p1i n GLU 246 Ca 0.08 0.98 -0.10 0.00 0.66 0.00 0.00 57.16 58.78 2p1i n GLU 246 Cb 0.45 -2.01 -0.04 0.00 0.27 0.00 0.00 31.44 30.12 2p1i n GLU 246 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2p1i h ASN 247 N 0.00 -0.25 -0.15 4.31 -0.26 -2.00 -1.66 115.58 115.56 2p1i h ASN 247 Ca 0.73 0.06 -0.15 0.00 -0.56 0.00 0.00 56.30 56.37 2p1i h ASN 247 Cb 2.49 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 39.89 2p1i h ASN 247 CO -0.29 -0.11 -0.51 0.58 -1.06 0.00 0.00 177.43 176.05 2p1i h VAL 248 N -0.09 1.33 -0.71 2.81 2.07 -1.33 -2.97 116.25 117.38 2p1i h VAL 248 Ca 0.07 -1.77 0.08 0.00 0.82 0.00 0.00 66.70 65.90 2p1i h VAL 248 Cb 0.19 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 2p1i h VAL 248 CO -0.17 0.55 0.37 0.58 0.02 0.00 0.00 177.57 178.92 2p1i h VAL 249 N 0.27 0.88 -0.19 2.57 2.07 -1.47 -1.04 116.25 119.35 2p1i h VAL 249 Ca -0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2p1i h VAL 249 Cb 1.13 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2p1i h VAL 249 CO 0.11 0.12 -0.04 1.56 0.02 0.00 0.00 177.57 179.34 2p1i h GLN 250 N 0.64 0.28 0.42 1.57 4.20 -1.28 -1.19 115.11 119.74 2p1i h GLN 250 Ca 0.34 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2p1i h GLN 250 Cb 0.32 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2p1i h GLN 250 CO -0.24 0.34 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.14 2p1i h ASN 251 N 0.27 -0.48 -0.52 1.46 4.21 -1.05 -0.12 115.58 119.36 2p1i h ASN 251 Ca 0.06 -0.04 0.10 0.00 1.21 0.00 0.00 56.30 57.63 2p1i h ASN 251 Cb 0.25 0.12 -0.10 0.00 -1.12 0.00 0.00 38.32 37.47 2p1i h ASN 251 CO 0.01 -0.26 -0.22 0.40 -1.29 0.00 0.00 177.43 176.08 2p1i h ILE 252 N -0.68 0.34 -0.31 2.81 2.04 -1.18 -1.51 117.51 119.03 2p1i h ILE 252 Ca -0.06 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 2p1i h ILE 252 Cb 0.50 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2p1i h ILE 252 CO 0.10 0.00 -0.35 0.58 0.00 0.00 0.00 178.15 178.47 2p1i h VAL 253 N -0.10 1.29 0.28 1.67 2.07 -1.04 -1.73 116.25 118.69 2p1i h VAL 253 Ca 0.24 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2p1i h VAL 253 Cb 0.47 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2p1i h VAL 253 CO -0.58 0.50 -0.38 0.11 0.02 0.00 0.00 177.57 177.24 2p1i h LYS 254 N 0.55 -0.69 -0.73 1.57 1.57 -0.78 0.13 116.57 118.19 2p1i h LYS 254 Ca 0.04 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2p1i h LYS 254 Cb 0.94 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2p1i h LYS 254 CO 0.08 -0.46 0.48 0.93 -0.57 0.00 0.00 179.45 179.92 2p1i h GLU 255 N -0.71 0.72 -0.83 3.15 5.08 -1.25 0.27 114.58 121.00 2p1i h GLU 255 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2p1i h GLU 255 Cb 0.67 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2p1i h GLU 255 CO -0.12 0.48 0.52 0.00 -1.00 0.00 0.00 179.01 178.88 2p1i h ALA 256 N 1.61 1.06 -0.17 3.43 0.00 -0.63 -1.34 119.26 123.22 2p1i h ALA 256 Ca 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2p1i h ALA 256 Cb 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2p1i h ALA 256 CO -0.11 0.51 0.01 0.28 0.00 0.00 0.00 179.25 179.94 2p1i h VAL 257 N 1.14 1.25 -0.34 0.00 2.07 0.97 0.05 116.25 121.38 2p1i h VAL 257 Ca 0.30 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 2p1i h VAL 257 Cb -0.07 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2p1i h VAL 257 CO -0.06 0.24 -0.21 -0.08 0.02 0.00 0.00 177.57 177.48 2p1i h GLU 258 N 0.04 0.66 0.12 1.57 4.57 -0.93 -0.00 114.58 120.61 2p1i h GLU 258 Ca 0.05 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2p1i h GLU 258 Cb 0.36 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2p1i h GLU 258 CO 0.01 0.82 -0.06 0.28 -1.18 0.00 0.00 179.01 178.88 2p1i h VAL 259 N 0.58 0.93 -0.60 0.32 2.07 -1.18 -2.71 116.25 115.65 2p1i h VAL 259 Ca 0.09 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2p1i h VAL 259 Cb 0.68 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2p1i h VAL 259 CO 0.05 0.04 0.37 -0.08 0.02 0.00 0.00 177.57 177.97 2p1i h GLU 260 N -0.24 0.72 -0.98 1.57 4.57 -0.75 -2.98 114.58 116.49 2p1i h GLU 260 Ca -0.02 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 2p1i h GLU 260 Cb 0.19 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2p1i h GLU 260 CO 0.03 0.47 0.63 0.00 -1.18 0.00 0.00 179.01 178.96 2p1i h ARG 261 N 0.74 1.01 0.00 1.92 3.08 -0.94 -1.24 114.38 118.94 2p1i h ARG 261 Ca 0.24 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2p1i h ARG 261 Cb 0.01 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2p1i h ARG 261 CO -0.10 0.67 0.00 -1.13 -1.07 0.00 0.00 179.97 178.34 2p1i n SER 262 N -4.56 0.00 0.00 7.04 3.41 -1.03 -1.31 113.62 117.17 2p1i n SER 262 Ca 0.17 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2p1i n SER 262 Cb 0.28 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2p1i n SER 262 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2p1i n PHE 263 N -1.49 0.00 0.25 7.33 0.99 -0.47 -0.56 117.46 123.51 2p1i n PHE 263 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.57 2p1i n PHE 263 Cb 0.04 -0.06 0.66 0.00 -1.00 0.00 0.00 39.48 39.12 2p1i n PHE 263 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.76 175.92 2p1i h ILE 264 N 0.00 0.66 0.00 4.37 -0.00 -1.61 0.94 117.51 121.87 2p1i h ILE 264 Ca 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 64.86 64.22 2p1i h ILE 264 Cb 0.00 1.40 0.00 0.00 -0.00 0.00 0.00 36.82 38.22 2p1i h ILE 264 CO 0.00 0.15 -1.19 0.00 -0.00 0.00 0.00 178.15 177.11 2p1i n GLU 266 N -1.68 0.00 -0.03 0.00 1.02 -1.14 -4.85 120.64 113.95 2p1i n GLU 266 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 2p1i n GLU 266 Cb 0.39 -0.08 -0.11 0.00 -0.02 0.00 0.00 31.44 31.62 2p1i n GLU 266 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2p1i h SER 267 N 0.00 -0.02 -3.76 1.62 0.02 0.54 -3.40 113.55 108.55 2p1i h SER 267 Ca 0.00 -0.69 -0.62 0.00 -0.84 0.00 0.00 61.79 59.64 2p1i h SER 267 Cb 0.04 0.01 -0.40 0.00 0.14 0.00 0.00 62.40 62.18 2p1i h SER 267 CO 0.00 0.71 -0.70 -1.48 -1.14 0.00 0.00 176.83 174.22 2p1i s LEU 268 N -8.70 3.23 -0.12 5.07 2.34 0.31 -5.02 118.68 115.79 2p1i s LEU 268 Ca -0.16 -2.77 -0.29 0.00 0.06 0.00 0.00 54.13 50.96 2p1i s LEU 268 Cb -0.01 -1.23 -0.06 0.00 -0.56 0.00 0.00 46.19 44.34 2p1i s LEU 268 CO 0.63 -0.25 1.86 -2.16 -1.06 0.00 0.00 176.35 175.38 2p1i s PRO 269 N 0.11 3.81 0.56 1.48 0.04 -1.25 -3.70 135.00 136.06 2p1i s PRO 269 Ca 0.18 2.12 0.35 0.00 0.04 0.00 0.00 61.00 63.69 2p1i s PRO 269 Cb -0.24 -4.14 1.57 0.00 0.04 0.00 0.00 34.50 31.73 2p1i s PRO 269 CO -0.00 -1.30 2.05 0.00 0.04 0.00 0.00 177.00 177.79 2p1i n ASP 271 N -3.04 2.57 0.00 0.00 -0.08 -1.24 -1.26 116.55 113.51 2p1i n ASP 271 Ca -0.00 -1.83 0.00 0.00 -1.51 0.00 0.00 54.79 51.45 2p1i n ASP 271 Cb 0.25 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.09 2p1i n ASP 271 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2p1i n LEU 272 N 2.26 0.00 -0.00 -2.67 7.99 -1.25 -4.74 117.00 118.59 2p1i n LEU 272 Ca 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.21 2p1i n LEU 272 Cb 0.35 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.67 2p1i n LEU 272 CO 0.09 0.00 0.14 2.30 -1.51 0.00 0.00 177.39 178.41 2p1i n ILE 273 N 0.00 0.00 0.00 -0.08 -5.35 -0.39 -3.78 119.36 109.76 2p1i n ILE 273 Ca 0.00 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2p1i n ILE 273 Cb 0.00 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 2p1i n ILE 273 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p1i n GLY 274 N 1.50 0.61 3.92 3.28 0.00 -1.23 -5.00 105.19 108.27 2p1i n GLY 274 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2p1i n GLY 274 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p1i s MET 275 N 0.00 2.70 -0.24 1.61 -1.94 -1.12 -5.00 119.30 115.31 2p1i s MET 275 Ca 0.00 -0.02 -0.09 0.00 -1.71 0.00 0.00 55.69 53.87 2p1i s MET 275 Cb 0.00 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.59 2p1i s MET 275 CO 0.00 -0.90 0.12 1.21 -0.01 0.00 0.00 175.02 175.44 2p1i s ASN 276 N -4.37 5.66 0.57 3.03 2.47 -1.26 -3.65 114.94 117.38 2p1i s ASN 276 Ca 0.56 -0.04 0.34 0.00 0.42 0.00 0.00 52.86 54.14 2p1i s ASN 276 Cb -0.11 -2.02 1.65 0.00 -1.45 0.00 0.00 41.25 39.32 2p1i s ASN 276 CO 0.46 0.02 2.10 -1.28 -3.72 0.00 0.00 177.10 174.68 2p1i h SER 277 N 7.87 0.00 -0.14 -4.21 0.87 -1.91 -1.41 113.55 114.62 2p1i h SER 277 Ca -0.37 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.07 2p1i h SER 277 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2p1i h SER 277 CO 0.60 0.05 -0.38 0.03 -0.53 0.00 0.00 176.83 176.61 2p1i h ARG 278 N 0.00 0.50 -0.51 2.24 2.47 -1.96 0.12 114.38 117.23 2p1i h ARG 278 Ca -0.00 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.34 2p1i h ARG 278 Cb 0.34 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 2p1i h ARG 278 CO 0.01 0.97 0.20 -0.07 0.56 0.00 0.00 179.97 181.64 2p1i h LEU 279 N 0.11 0.71 -0.16 3.04 3.38 -1.88 -2.01 115.31 118.51 2p1i h LEU 279 Ca -0.01 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2p1i h LEU 279 Cb 1.00 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2p1i h LEU 279 CO 0.08 0.69 -0.18 -0.03 0.09 0.00 0.00 178.44 179.09 2p1i h MET 280 N 0.69 -0.21 -1.03 1.13 4.05 -1.20 -0.50 114.93 117.86 2p1i h MET 280 Ca 0.17 0.01 0.26 0.00 -0.28 0.00 0.00 59.70 59.87 2p1i h MET 280 Cb 0.20 0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 30.94 2p1i h MET 280 CO -0.01 -0.14 0.64 1.03 0.23 0.00 0.00 176.91 178.66 2p1i h SER 281 N -0.22 0.55 0.65 1.39 0.87 -0.46 0.23 113.55 116.56 2p1i h SER 281 Ca 0.11 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.62 2p1i h SER 281 Cb 0.38 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2p1i h SER 281 CO -0.29 0.09 -0.73 -0.61 -0.53 0.00 0.00 176.83 174.76 2p1i h GLN 282 N 0.47 0.07 -0.32 2.24 -0.00 -0.57 -2.93 115.11 114.07 2p1i h GLN 282 Ca 0.62 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 59.22 2p1i h GLN 282 Cb 1.41 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.88 2p1i h GLN 282 CO -0.38 0.77 0.21 -0.92 0.00 0.00 0.00 178.83 178.50 2p1i h TYR 283 N 0.04 0.40 -0.35 3.99 3.20 0.98 -1.14 116.97 124.09 2p1i h TYR 283 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2p1i h TYR 283 Cb 1.29 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2p1i h TYR 283 CO 0.01 0.26 0.16 0.82 -1.64 0.00 0.00 178.16 177.77 2p1i h ILE 284 N 0.42 1.17 -0.57 1.81 1.08 -1.13 0.81 117.51 121.11 2p1i h ILE 284 Ca 0.12 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 64.13 2p1i h ILE 284 Cb -0.04 0.86 -0.08 0.00 -3.07 0.00 0.00 36.82 34.49 2p1i h ILE 284 CO -0.02 0.19 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.84 2p1i h GLU 285 N 0.43 -0.15 -0.54 2.37 4.39 -1.37 0.45 114.58 120.16 2p1i h GLU 285 Ca 0.12 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.94 2p1i h GLU 285 Cb 0.15 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.72 2p1i h GLU 285 CO -0.01 -0.10 -0.22 0.35 -1.16 0.00 0.00 179.01 177.87 2p1i h PHE 286 N -0.15 -0.54 -0.25 4.33 3.57 -0.83 0.15 116.94 123.22 2p1i h PHE 286 Ca 0.09 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2p1i h PHE 286 Cb 0.40 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 2p1i h PHE 286 CO -0.86 -0.31 -0.01 0.28 -2.23 0.00 0.00 178.31 175.18 2p1i h VAL 287 N -0.09 0.81 -0.24 1.41 2.07 0.14 -1.59 116.25 118.76 2p1i h VAL 287 Ca 0.25 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.80 2p1i h VAL 287 Cb 0.48 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2p1i h VAL 287 CO -0.60 0.01 -0.07 0.00 0.02 0.00 0.00 177.57 176.92 2p1i h ALA 288 N 1.22 0.14 -0.93 1.67 0.00 0.55 -0.76 119.26 121.15 2p1i h ALA 288 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2p1i h ALA 288 Cb 0.16 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2p1i h ALA 288 CO -0.21 -0.48 0.56 -0.44 0.00 0.00 0.00 179.25 178.68 2p1i h ASP 289 N -0.02 1.11 0.01 0.00 3.45 -0.50 0.07 116.42 120.54 2p1i h ASP 289 Ca 0.12 -0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 2p1i h ASP 289 Cb 0.20 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 2p1i h ASP 289 CO -0.26 0.85 -0.09 -0.09 -1.57 0.00 0.00 179.24 178.08 2p1i h ARG 290 N 1.28 0.20 0.08 3.56 2.43 -0.91 -2.11 114.38 118.91 2p1i h ARG 290 Ca 0.33 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2p1i h ARG 290 Cb -0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2p1i h ARG 290 CO -0.06 0.30 -0.04 1.25 -1.51 0.00 0.00 179.97 179.91 2p1i h LEU 291 N 0.19 -0.09 -1.03 3.80 7.12 -0.38 -1.83 115.31 123.10 2p1i h LEU 291 Ca 0.04 -0.48 0.38 0.00 0.13 0.00 0.00 57.88 57.95 2p1i h LEU 291 Cb 0.29 0.02 -0.16 0.00 -0.53 0.00 0.00 40.66 40.28 2p1i h LEU 291 CO 0.02 0.48 0.57 -0.07 -0.13 0.00 0.00 178.44 179.31 2p1i h LEU 292 N -0.70 0.39 -0.22 2.25 -0.00 -0.54 0.19 115.31 116.68 2p1i h LEU 292 Ca -0.01 0.22 -0.10 0.00 -0.00 0.00 0.00 57.88 58.00 2p1i h LEU 292 Cb 0.57 0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2p1i h LEU 292 CO 0.02 -0.30 -0.25 -0.08 -0.00 0.00 0.00 178.44 177.83 2p1i h GLU 293 N 0.14 0.56 0.00 1.13 4.57 -1.12 0.21 114.58 120.07 2p1i h GLU 293 Ca 0.80 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.66 2p1i h GLU 293 Cb 2.04 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.65 2p1i h GLU 293 CO -0.68 0.90 -0.08 0.00 -1.18 0.00 0.00 179.01 177.97 2p1i n LEU 295 N -3.72 2.08 -1.46 0.00 4.77 0.16 -4.84 117.00 114.00 2p1i n LEU 295 Ca -0.02 -0.80 -0.08 0.00 -0.03 0.00 0.00 56.01 55.08 2p1i n LEU 295 Cb 0.19 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2p1i n LEU 295 CO 0.29 0.40 0.06 0.61 -1.33 0.00 0.00 177.39 177.43 2p1i n GLY 296 N 1.23 0.40 3.13 -0.72 0.00 -0.68 -4.99 105.19 103.57 2p1i n GLY 296 Ca 0.17 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 2p1i n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p1i s SER 298 N -2.04 6.27 1.20 0.00 1.04 -1.26 -3.67 113.70 115.24 2p1i s SER 298 Ca -0.01 2.16 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 2p1i s SER 298 Cb -0.06 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 63.63 2p1i s SER 298 CO 0.00 -0.84 0.40 0.29 0.98 0.00 0.00 173.24 174.07 2p1i n LYS 299 N -0.58 -3.10 0.00 4.02 5.02 -1.26 -4.93 118.16 117.34 2p1i n LYS 299 Ca 0.08 -0.67 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 2p1i n LYS 299 Cb 0.50 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 2p1i n LYS 299 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2p1i n VAL 300 N -4.16 0.00 -0.77 -0.18 0.31 -1.26 -4.91 118.33 107.36 2p1i n VAL 300 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2p1i n VAL 300 Cb 0.27 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2p1i n VAL 300 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2p1i n PHE 301 N 0.00 0.00 -0.25 3.52 -0.00 -1.26 -5.08 117.46 114.38 2p1i n PHE 301 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 2p1i n PHE 301 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2p1i n PHE 301 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2p1i n HIS 302 N -0.04 0.00 -3.72 -5.13 8.25 -1.26 -4.90 115.22 108.42 2p1i n HIS 302 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2p1i n HIS 302 Cb 0.28 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 2p1i n HIS 302 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2p1i s SER 303 N 0.00 -0.37 1.19 0.41 1.04 -1.26 -5.09 113.70 109.62 2p1i s SER 303 Ca 0.00 0.67 -0.20 0.00 0.48 0.00 0.00 55.95 56.91 2p1i s SER 303 Cb 0.00 0.57 0.29 0.00 0.10 0.00 0.00 66.02 66.97 2p1i s SER 303 CO 0.00 -0.17 1.15 -0.54 0.98 0.00 0.00 173.24 174.66 2p1i s LYS 304 N 1.21 -1.13 -0.39 4.02 -0.14 -1.26 -4.46 119.74 117.59 2p1i s LYS 304 Ca -0.09 -0.22 -0.28 0.00 -1.36 0.00 0.00 55.97 54.03 2p1i s LYS 304 Cb -0.09 -1.62 -0.01 0.00 -1.68 0.00 0.00 37.83 34.43 2p1i s LYS 304 CO -0.09 -3.62 1.74 -0.80 -0.76 0.00 0.00 175.35 171.82 2p1i s ASN 305 N -4.14 5.87 0.33 2.83 -0.87 -1.26 -4.84 114.94 112.86 2p1i s ASN 305 Ca 0.72 1.05 0.10 0.00 -1.57 0.00 0.00 52.86 53.16 2p1i s ASN 305 Cb -0.07 -2.53 0.56 0.00 -0.02 0.00 0.00 41.25 39.19 2p1i s ASN 305 CO 0.55 -1.77 1.75 1.55 -2.57 0.00 0.00 177.10 176.61 2p1i h PRO 306 N 12.83 0.10 -4.17 -0.60 0.13 -1.89 -3.40 132.00 135.00 2p1i h PRO 306 Ca -0.31 -0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.24 2p1i h PRO 306 Cb 1.16 -0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.91 2p1i h PRO 306 CO 1.07 0.50 -0.80 -0.06 -0.23 0.00 0.00 178.00 178.49 2p1i s PHE 307 N -4.11 1.47 -0.25 1.56 0.08 -1.26 -5.00 117.98 110.47 2p1i s PHE 307 Ca -0.03 -0.78 0.19 0.00 0.12 0.00 0.00 56.93 56.43 2p1i s PHE 307 Cb 0.14 -1.22 0.09 0.00 -0.57 0.00 0.00 43.02 41.45 2p1i s PHE 307 CO 0.75 -0.53 1.27 -2.95 -0.10 0.00 0.00 175.22 173.66 2p1i h ASN 308 N 8.18 0.00 0.00 1.36 7.08 -2.02 -3.53 115.58 126.64 2p1i h ASN 308 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 2p1i h ASN 308 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 2p1i h ASN 308 CO 0.40 0.25 0.00 -2.67 -2.08 0.00 0.00 177.43 173.32