#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1i n TYR 48 N 0.00 3.07 0.25 3.17 4.02 -1.26 -5.00 117.16 121.42 2p1i n TYR 48 Ca 0.00 -4.11 0.18 0.00 -0.01 0.00 0.00 57.90 53.96 2p1i n TYR 48 Cb 0.00 -0.53 0.89 0.00 -0.02 0.00 0.00 39.34 39.68 2p1i n TYR 48 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2p1i h PRO 49 N 4.42 0.00 -0.18 -0.72 0.11 -2.03 -1.70 132.00 131.90 2p1i h PRO 49 Ca 0.18 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 2p1i h PRO 49 Cb 0.71 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.82 2p1i h PRO 49 CO 0.77 0.00 -0.73 1.49 -0.21 0.00 0.00 178.00 179.32 2p1i h GLU 50 N 0.00 0.79 -0.38 1.05 4.81 -2.01 -3.08 114.58 115.77 2p1i h GLU 50 Ca 0.06 -0.61 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 2p1i h GLU 50 Cb 0.49 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2p1i h GLU 50 CO -0.00 1.23 -0.28 0.28 -0.73 0.00 0.00 179.01 179.51 2p1i h VAL 51 N 0.56 1.28 -0.49 0.32 2.07 -1.71 -2.78 116.25 115.50 2p1i h VAL 51 Ca -0.04 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.09 2p1i h VAL 51 Cb 1.35 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 2p1i h VAL 51 CO 0.15 0.47 0.32 -0.25 0.02 0.00 0.00 177.57 178.29 2p1i h TRP 52 N 0.69 0.53 -0.27 1.57 -0.00 -1.54 -2.56 115.95 114.38 2p1i h TRP 52 Ca 0.08 0.01 -0.08 0.00 -0.00 0.00 0.00 58.89 58.91 2p1i h TRP 52 Cb 0.82 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.78 2p1i h TRP 52 CO 0.04 0.31 -0.16 -0.91 -0.00 0.00 0.00 178.44 177.73 2p1i h ASN 53 N 0.56 0.46 0.04 2.65 4.21 -1.40 -1.66 115.58 120.43 2p1i h ASN 53 Ca 0.20 -0.13 -0.12 0.00 1.21 0.00 0.00 56.30 57.46 2p1i h ASN 53 Cb 0.09 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 2p1i h ASN 53 CO -0.05 0.64 -0.38 -0.26 -1.29 0.00 0.00 177.43 176.09 2p1i h PHE 54 N 0.43 0.53 -0.19 1.19 -1.00 -1.46 -2.35 116.94 114.08 2p1i h PHE 54 Ca 0.08 -0.14 -0.12 0.00 2.81 0.00 0.00 57.97 60.60 2p1i h PHE 54 Cb 0.53 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 2p1i h PHE 54 CO 0.02 0.77 -0.33 -0.92 -1.61 0.00 0.00 178.31 176.23 2p1i h TYR 55 N 0.38 0.70 0.00 -0.55 5.03 -1.29 -1.52 116.97 119.72 2p1i h TYR 55 Ca 0.04 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 61.10 2p1i h TYR 55 Cb 0.83 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.98 2p1i h TYR 55 CO 0.03 0.98 0.00 0.87 -1.32 0.00 0.00 178.16 178.71 2p1i h LYS 56 N 0.23 0.00 0.02 1.82 1.79 -1.30 0.18 116.57 119.30 2p1i h LYS 56 Ca 0.01 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.19 2p1i h LYS 56 Cb 0.92 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.52 2p1i h LYS 56 CO 0.07 0.00 -1.71 -0.22 -1.08 0.00 0.00 179.45 176.51 2p1i h LYS 57 N 0.00 0.04 -0.08 3.15 3.64 -1.39 -2.23 116.57 119.68 2p1i h LYS 57 Ca 0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2p1i h LYS 57 Cb 0.64 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2p1i h LYS 57 CO 0.00 0.60 -0.07 0.00 -2.27 0.00 0.00 179.45 177.71 2p1i h ALA 58 N 0.88 0.12 -0.21 5.00 0.00 -0.80 -2.36 119.26 121.90 2p1i h ALA 58 Ca -0.29 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2p1i h ALA 58 Cb 2.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2p1i h ALA 58 CO 0.08 -0.07 0.11 1.49 0.00 0.00 0.00 179.25 180.86 2p1i h GLU 59 N -0.21 0.22 -0.01 0.00 4.81 -0.81 -1.44 114.58 117.14 2p1i h GLU 59 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2p1i h GLU 59 Cb 0.57 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2p1i h GLU 59 CO 0.02 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.45 2p1i n ALA 60 N -2.19 2.58 -0.06 2.92 0.00 -0.84 -1.95 120.51 120.97 2p1i n ALA 60 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2p1i n ALA 60 Cb 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.66 1.68 -4.77 0.00 2.88 -0.74 -5.01 113.62 107.01 2p1i n SER 61 Ca 0.11 -1.74 -0.39 0.00 -1.33 0.00 0.00 58.87 55.51 2p1i n SER 61 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2p1i n SER 61 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2p1i s PHE 62 N -0.74 2.75 0.05 0.66 2.19 -0.62 -5.00 117.98 117.27 2p1i s PHE 62 Ca 0.00 1.42 -0.18 0.00 0.33 0.00 0.00 56.93 58.49 2p1i s PHE 62 Cb 0.00 -3.66 0.04 0.00 -1.31 0.00 0.00 43.02 38.09 2p1i s PHE 62 CO 0.00 -2.14 0.42 1.67 1.83 0.00 0.00 175.22 177.00 2p1i s TRP 63 N -1.30 -0.28 0.32 10.12 1.48 -1.26 -5.09 118.94 122.94 2p1i s TRP 63 Ca 0.59 0.23 0.10 0.00 -1.06 0.00 0.00 56.10 55.97 2p1i s TRP 63 Cb -0.37 0.23 -0.06 0.00 -1.16 0.00 0.00 33.47 32.11 2p1i s TRP 63 CO 0.47 -0.58 -0.12 -0.08 -4.06 0.00 0.00 176.95 172.58 2p1i s THR 64 N -2.51 2.33 0.38 0.66 -1.32 -1.26 -4.99 115.64 108.94 2p1i s THR 64 Ca -0.05 -2.26 0.36 0.00 -1.21 0.00 0.00 61.69 58.53 2p1i s THR 64 Cb -0.01 -2.55 0.36 0.00 -1.51 0.00 0.00 72.50 68.80 2p1i s THR 64 CO -0.03 -0.26 2.11 0.00 -2.21 0.00 0.00 174.62 174.23 2p1i h ALA 65 N 2.09 1.02 0.00 11.08 0.00 -1.98 -1.74 119.26 129.74 2p1i h ALA 65 Ca -0.41 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2p1i h ALA 65 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2p1i h ALA 65 CO 0.67 -0.02 -0.23 0.93 0.00 0.00 0.00 179.25 180.59 2p1i h GLU 66 N 0.00 0.00 0.00 0.00 3.07 -2.00 -3.15 114.58 112.50 2p1i h GLU 66 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2p1i h GLU 66 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2p1i h GLU 66 CO 0.00 0.23 0.00 0.39 -1.40 0.00 0.00 179.01 178.23 2p1i n GLU 67 N -3.87 0.93 -0.08 2.33 4.71 -0.65 -4.20 120.64 119.82 2p1i n GLU 67 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 56.99 2p1i n GLU 67 Cb 0.32 -1.17 -0.06 0.00 -1.01 0.00 0.00 31.44 29.53 2p1i n GLU 67 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2p1i n ILE 68 N -0.67 0.85 -3.21 -3.67 5.41 -1.19 -5.07 119.36 111.80 2p1i n ILE 68 Ca 0.08 -0.25 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 2p1i n ILE 68 Cb 0.03 -1.51 0.02 0.00 -0.71 0.00 0.00 39.64 37.47 2p1i n ILE 68 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2p1i n ASP 69 N -3.47 -6.51 -0.25 4.38 2.03 -1.26 -4.75 116.55 106.71 2p1i n ASP 69 Ca -0.29 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2p1i n ASP 69 Cb 0.73 -2.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.62 2p1i n ASP 69 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2p1i n LEU 70 N 0.48 0.06 -0.33 -2.67 4.77 -1.26 -4.32 117.00 113.74 2p1i n LEU 70 Ca -0.02 -0.03 0.24 0.00 -0.03 0.00 0.00 56.01 56.17 2p1i n LEU 70 Cb 0.50 -0.03 0.46 0.00 -2.33 0.00 0.00 43.42 42.02 2p1i n LEU 70 CO 0.32 0.02 0.94 -0.24 -1.33 0.00 0.00 177.39 177.10 2p1i n SER 71 N -0.02 0.14 -0.02 -1.43 2.88 -1.26 -3.87 113.62 110.03 2p1i n SER 71 Ca 0.00 1.67 -0.16 0.00 -1.33 0.00 0.00 58.87 59.05 2p1i n SER 71 Cb 0.02 -0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 62.61 2p1i n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2p1i n SER 72 N -5.36 1.54 -3.34 -3.46 7.64 -1.26 -4.71 113.62 104.67 2p1i n SER 72 Ca 0.31 0.25 -0.25 0.00 1.01 0.00 0.00 58.87 60.19 2p1i n SER 72 Cb 1.05 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.73 2p1i n SER 72 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2p1i s ASP 73 N -6.57 1.20 0.00 6.43 1.01 -1.25 -4.61 116.67 112.87 2p1i s ASP 73 Ca -0.16 -2.92 0.20 0.00 0.71 0.00 0.00 52.55 50.37 2p1i s ASP 73 Cb 0.07 -0.23 -0.08 0.00 1.01 0.00 0.00 42.92 43.70 2p1i s ASP 73 CO 0.78 -0.16 0.93 -0.11 0.21 0.00 0.00 175.17 176.81 2p1i n LEU 74 N 2.89 1.53 -0.05 1.23 7.94 -1.26 -4.05 117.00 125.23 2p1i n LEU 74 Ca 0.28 -0.67 -0.07 0.00 -1.11 0.00 0.00 56.01 54.44 2p1i n LEU 74 Cb 0.48 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.53 2p1i n LEU 74 CO 0.07 0.31 0.67 0.11 -1.11 0.00 0.00 177.39 177.44 2p1i h LYS 75 N 1.42 0.69 -0.53 1.96 1.57 -1.95 0.32 116.57 120.05 2p1i h LYS 75 Ca 0.00 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 2p1i h LYS 75 Cb 0.59 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2p1i h LYS 75 CO 0.00 0.90 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.26 2p1i h ASP 76 N 0.59 0.99 -0.24 0.86 3.32 -1.88 0.21 116.42 120.28 2p1i h ASP 76 Ca 0.07 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2p1i h ASP 76 Cb 0.79 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2p1i h ASP 76 CO 0.06 1.10 -0.01 0.15 -1.72 0.00 0.00 179.24 178.83 2p1i h PHE 77 N 0.87 0.58 0.00 4.55 3.04 -1.66 0.27 116.94 124.58 2p1i h PHE 77 Ca 0.14 -0.06 -0.15 0.00 3.98 0.00 0.00 57.97 61.88 2p1i h PHE 77 Cb 0.64 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 2p1i h PHE 77 CO 0.05 0.57 -0.87 0.93 -2.02 0.00 0.00 178.31 176.96 2p1i h GLU 78 N 0.53 0.00 0.00 1.11 4.39 -0.75 -3.18 114.58 116.68 2p1i h GLU 78 Ca 0.11 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 2p1i h GLU 78 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2p1i h GLU 78 CO 0.01 0.56 -0.38 0.87 -1.16 0.00 0.00 179.01 178.91 2p1i h LYS 79 N 0.00 0.00 -6.60 2.33 1.57 -0.65 -3.45 116.57 109.77 2p1i h LYS 79 Ca -0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.38 2p1i h LYS 79 Cb 1.54 0.00 0.19 0.00 0.08 0.00 0.00 32.23 34.05 2p1i h LYS 79 CO 0.08 0.38 -0.40 -0.11 -0.57 0.00 0.00 179.45 178.83 2p1i n LEU 80 N -3.46 -1.37 -4.82 2.94 7.94 0.93 -4.92 117.00 114.24 2p1i n LEU 80 Ca 0.00 -0.44 -0.35 0.00 -1.11 0.00 0.00 56.01 54.11 2p1i n LEU 80 Cb 0.54 -0.95 -0.06 0.00 0.53 0.00 0.00 43.42 43.48 2p1i n LEU 80 CO 0.37 -3.62 0.51 0.21 -1.11 0.00 0.00 177.39 173.74 2p1i s ASN 81 N -2.32 7.03 0.00 1.96 3.84 -1.26 -4.88 114.94 119.32 2p1i s ASN 81 Ca 0.54 1.52 0.00 0.00 0.21 0.00 0.00 52.86 55.14 2p1i s ASN 81 Cb -0.12 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2p1i s ASN 81 CO 0.52 -0.11 0.00 1.33 -2.79 0.00 0.00 177.10 176.05 2p1i n VAL 82 N 0.21 0.00 -1.94 -5.21 0.24 -1.26 -1.64 118.33 108.73 2p1i n VAL 82 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2p1i n VAL 82 Cb 0.52 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 2p1i n VAL 82 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2p1i n ASN 83 N 0.02 0.00 0.07 -1.34 3.02 -1.26 -4.83 115.26 110.94 2p1i n ASN 83 Ca 0.00 -1.00 0.08 0.00 -0.03 0.00 0.00 54.58 53.63 2p1i n ASN 83 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2p1i n ASN 83 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2p1i n GLU 84 N 0.00 0.62 -0.09 3.52 2.13 -0.65 -4.46 120.64 121.71 2p1i n GLU 84 Ca 0.00 0.11 -0.07 0.00 0.66 0.00 0.00 57.16 57.86 2p1i n GLU 84 Cb 0.30 -1.79 0.09 0.00 0.27 0.00 0.00 31.44 30.32 2p1i n GLU 84 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2p1i h LYS 85 N 0.00 0.78 -0.02 5.31 1.57 -1.67 -3.24 116.57 119.31 2p1i h LYS 85 Ca -0.05 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2p1i h LYS 85 Cb 1.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2p1i h LYS 85 CO 0.01 0.92 -0.21 0.72 -0.57 0.00 0.00 179.45 180.32 2p1i n HIS 86 N -4.12 0.00 0.44 -1.35 8.25 -1.26 -2.76 115.22 114.42 2p1i n HIS 86 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2p1i n HIS 86 Cb 0.42 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.42 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 2.79 -1.05 -0.76 4.41 3.57 -1.79 -2.24 116.94 121.87 2p1i h PHE 87 Ca 0.00 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.59 2p1i h PHE 87 Cb 0.72 0.35 -0.13 0.00 2.79 0.00 0.00 35.95 39.68 2p1i h PHE 87 CO 0.00 -0.65 -0.41 0.82 -2.23 0.00 0.00 178.31 175.84 2p1i h ILE 88 N -1.25 0.07 -0.93 1.41 1.08 -1.62 0.23 117.51 116.50 2p1i h ILE 88 Ca -0.12 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.49 2p1i h ILE 88 Cb 0.88 0.07 -0.08 0.00 -3.07 0.00 0.00 36.82 34.62 2p1i h ILE 88 CO 0.19 0.00 0.59 0.11 -0.69 0.00 0.00 178.15 178.36 2p1i h LYS 89 N -0.11 0.79 0.15 2.37 1.57 -1.53 -1.59 116.57 118.21 2p1i h LYS 89 Ca 0.25 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.68 2p1i h LYS 89 Cb 0.56 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.72 2p1i h LYS 89 CO -0.81 0.52 -1.29 0.45 -0.57 0.00 0.00 179.45 177.75 2p1i h HIS 90 N 0.81 0.90 -0.31 -1.35 3.86 -0.69 -2.98 115.15 115.39 2p1i h HIS 90 Ca 0.47 -0.60 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 2p1i h HIS 90 Cb 0.62 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2p1i h HIS 90 CO -0.00 1.45 -0.20 0.28 0.86 0.00 0.00 177.93 180.31 2p1i h VAL 91 N 0.21 1.30 -0.90 2.45 2.07 0.18 0.18 116.25 121.73 2p1i h VAL 91 Ca -0.19 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2p1i h VAL 91 Cb 1.97 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 33.18 2p1i h VAL 91 CO 0.24 0.43 0.59 -0.07 0.02 0.00 0.00 177.57 178.77 2p1i h LEU 92 N 0.43 0.93 -1.04 2.57 3.38 -1.48 0.27 115.31 120.38 2p1i h LEU 92 Ca 0.06 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2p1i h LEU 92 Cb 0.75 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2p1i h LEU 92 CO 0.06 0.62 -0.48 0.00 0.09 0.00 0.00 178.44 178.73 2p1i h ALA 93 N 1.49 1.21 0.16 1.53 0.00 -1.34 -2.75 119.26 119.56 2p1i h ALA 93 Ca 0.37 -0.44 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 2p1i h ALA 93 Cb 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2p1i h ALA 93 CO -0.13 0.60 -1.30 0.35 0.00 0.00 0.00 179.25 178.77 2p1i h PHE 94 N 0.00 0.61 -0.69 0.00 -0.00 0.68 -3.21 116.94 114.33 2p1i h PHE 94 Ca -0.00 -0.44 0.11 0.00 -0.00 0.00 0.00 57.97 57.63 2p1i h PHE 94 Cb 0.85 -0.02 -0.04 0.00 -0.00 0.00 0.00 35.95 36.73 2p1i h PHE 94 CO 0.00 1.35 0.46 0.74 -0.00 0.00 0.00 178.31 180.86 2p1i h PHE 95 N 0.09 0.54 -2.00 0.41 0.04 -0.45 -3.27 116.94 112.30 2p1i h PHE 95 Ca -0.16 0.01 -0.78 0.00 2.80 0.00 0.00 57.97 59.84 2p1i h PHE 95 Cb 2.02 -0.18 -0.21 0.00 2.20 0.00 0.00 35.95 39.78 2p1i h PHE 95 CO 0.08 0.25 1.52 0.00 -0.60 0.00 0.00 178.31 179.55 2p1i n ALA 96 N -2.50 5.63 0.00 2.45 0.00 -1.05 -4.28 120.51 120.77 2p1i n ALA 96 Ca 0.12 -4.50 0.00 0.00 0.00 0.00 0.00 53.44 49.06 2p1i n ALA 96 Cb 0.39 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 2.08 0.94 -2.52 0.00 0.00 -1.23 -4.90 120.51 114.88 2p1i n ALA 97 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2p1i n ALA 97 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.72 6.28 0.00 0.00 0.15 -1.26 -5.15 113.70 111.00 2p1i s SER 98 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2p1i s SER 98 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2p1i s SER 98 CO 0.00 -0.73 0.00 1.21 1.20 0.00 0.00 173.24 174.92 2p1i n GLU 104 N 6.06 0.00 -3.26 5.44 0.00 -1.26 -5.13 120.64 122.49 2p1i n GLU 104 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.73 2p1i n GLU 104 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.85 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 6.53 0.00 4.31 3.04 -1.26 -4.93 114.94 122.63 2p1i s ASN 105 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 52.86 53.53 2p1i s ASN 105 Cb 0.00 -2.28 0.00 0.00 -1.54 0.00 0.00 41.25 37.43 2p1i s ASN 105 CO 0.00 -0.19 0.00 -0.11 -3.04 0.00 0.00 177.10 173.76 2p1i n LEU 106 N 4.88 0.00 -0.23 3.21 7.94 -1.26 -4.84 117.00 126.69 2p1i n LEU 106 Ca -0.05 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.94 2p1i n LEU 106 Cb 0.50 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.82 2p1i n LEU 106 CO 0.41 -0.47 1.22 0.00 -1.11 0.00 0.00 177.39 177.44 2p1i h ALA 107 N 0.00 1.78 0.00 1.96 0.00 -1.93 0.14 119.26 121.20 2p1i h ALA 107 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2p1i h ALA 107 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2p1i h ALA 107 CO 0.00 0.04 -0.15 0.77 0.00 0.00 0.00 179.25 179.91 2p1i h SER 108 N 0.73 0.00 -0.32 0.00 0.02 -1.91 0.57 113.55 112.63 2p1i h SER 108 Ca 0.39 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.20 2p1i h SER 108 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2p1i h SER 108 CO -0.16 0.15 -0.33 0.50 -1.14 0.00 0.00 176.83 175.86 2p1i h LYS 109 N 0.00 0.79 0.00 3.45 3.64 -1.05 -3.18 116.57 120.23 2p1i h LYS 109 Ca -0.00 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 2p1i h LYS 109 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2p1i h LYS 109 CO 0.02 1.05 -0.67 0.74 -2.27 0.00 0.00 179.45 178.32 2p1i h PHE 110 N 0.57 0.00 -0.61 1.91 -1.00 -1.08 -3.13 116.94 113.60 2p1i h PHE 110 Ca 0.05 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.95 2p1i h PHE 110 Cb 0.91 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.38 2p1i h PHE 110 CO 0.07 0.49 0.10 1.25 -1.61 0.00 0.00 178.31 178.61 2p1i h LEU 111 N 0.00 -0.07 -0.34 1.54 7.12 0.10 -1.12 115.31 122.54 2p1i h LEU 111 Ca -0.03 0.12 -0.19 0.00 0.13 0.00 0.00 57.88 57.91 2p1i h LEU 111 Cb 1.40 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.71 2p1i h LEU 111 CO 0.06 -0.03 -0.81 -0.09 -0.13 0.00 0.00 178.44 177.44 2p1i h ARG 112 N 0.22 0.33 0.16 1.25 2.43 -1.61 -3.39 114.38 113.76 2p1i h ARG 112 Ca 0.32 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2p1i h ARG 112 Cb 0.50 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2p1i h ARG 112 CO -0.44 0.98 -0.08 0.93 -1.51 0.00 0.00 179.97 179.85 2p1i h GLU 113 N 0.21 -0.20 -5.50 0.20 5.08 -1.41 -3.43 114.58 109.52 2p1i h GLU 113 Ca -0.04 0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.86 2p1i h GLU 113 Cb 1.40 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2p1i h GLU 113 CO 0.13 -0.14 1.66 0.28 -1.00 0.00 0.00 179.01 179.95 2p1i n VAL 114 N -3.98 -0.07 -0.89 3.13 0.31 -0.46 -4.86 118.33 111.51 2p1i n VAL 114 Ca -0.03 -0.67 -0.16 0.00 -0.01 0.00 0.00 64.34 63.48 2p1i n VAL 114 Cb 0.08 -2.41 0.03 0.00 -0.91 0.00 0.00 33.84 30.64 2p1i n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2p1i n GLU 115 N 8.92 1.78 -4.08 5.55 -0.58 -1.26 -4.58 120.64 126.38 2p1i n GLU 115 Ca 0.42 -1.51 -0.33 0.00 -0.42 0.00 0.00 57.16 55.33 2p1i n GLU 115 Cb 0.46 -1.60 -0.15 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.17 2.17 0.15 -3.67 -4.36 -1.26 -5.04 121.20 107.02 2p1i s ILE 116 Ca 0.30 -1.31 -0.18 0.00 -0.26 0.00 0.00 60.65 59.21 2p1i s ILE 116 Cb 0.23 -2.11 0.08 0.00 1.25 0.00 0.00 42.46 41.91 2p1i s ILE 116 CO -0.01 0.22 1.18 -0.38 0.24 0.00 0.00 174.94 176.19 2p1i n ILE 117 N 4.53 -0.45 -0.13 8.37 -0.00 -1.26 0.39 119.36 130.81 2p1i n ILE 117 Ca -0.17 1.81 0.20 0.00 -0.00 0.00 0.00 62.75 64.59 2p1i n ILE 117 Cb 0.46 -2.32 0.60 0.00 -0.00 0.00 0.00 39.64 38.38 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 0.21 0.11 0.38 3.07 -1.96 -0.56 114.58 115.82 2p1i h GLU 118 Ca 0.20 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 2p1i h GLU 118 Cb 0.39 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2p1i h GLU 118 CO -0.74 0.14 -0.79 0.00 -1.40 0.00 0.00 179.01 176.22 2p1i h ALA 119 N 1.65 -0.01 -0.82 3.43 0.00 -0.42 -3.03 119.26 120.05 2p1i h ALA 119 Ca 0.36 -0.75 0.19 0.00 0.00 0.00 0.00 54.91 54.71 2p1i h ALA 119 Cb 1.11 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 2p1i h ALA 119 CO -0.07 0.40 0.30 0.87 0.00 0.00 0.00 179.25 180.75 2p1i h LYS 120 N -0.50 0.35 -0.28 0.00 1.57 -0.81 0.18 116.57 117.09 2p1i h LYS 120 Ca -0.15 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2p1i h LYS 120 Cb 1.53 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 2p1i h LYS 120 CO 0.09 0.23 -0.18 -0.22 -0.57 0.00 0.00 179.45 178.81 2p1i h LYS 121 N 0.36 0.49 -0.39 3.15 3.64 -1.20 -0.09 116.57 122.54 2p1i h LYS 121 Ca 0.49 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 2p1i h LYS 121 Cb 0.87 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2p1i h LYS 121 CO -0.51 0.65 0.08 0.35 -2.27 0.00 0.00 179.45 177.75 2p1i h PHE 122 N 0.45 0.67 -0.16 1.91 3.04 -0.58 -2.85 116.94 119.42 2p1i h PHE 122 Ca 0.08 -0.09 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 2p1i h PHE 122 Cb 0.56 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.89 2p1i h PHE 122 CO 0.02 0.66 -0.39 1.88 -2.02 0.00 0.00 178.31 178.45 2p1i h TYR 123 N 0.48 0.70 -0.77 0.41 0.05 -0.81 -0.51 116.97 116.52 2p1i h TYR 123 Ca 0.12 -0.27 0.17 0.00 0.05 0.00 0.00 58.73 58.80 2p1i h TYR 123 Cb 0.34 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2p1i h TYR 123 CO 0.02 1.02 0.52 0.66 -1.05 0.00 0.00 178.16 179.33 2p1i h SER 124 N 0.18 0.31 0.97 3.88 4.64 -1.06 0.40 113.55 122.88 2p1i h SER 124 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2p1i h SER 124 Cb 1.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2p1i h SER 124 CO 0.09 0.15 -0.87 0.15 -0.87 0.00 0.00 176.83 175.48 2p1i h PHE 125 N 0.32 0.00 -0.37 4.77 3.57 -1.22 -3.27 116.94 120.75 2p1i h PHE 125 Ca 0.38 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 2p1i h PHE 125 Cb 1.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2p1i h PHE 125 CO -0.00 0.00 0.02 0.37 -2.23 0.00 0.00 178.31 176.46 2p1i h GLN 126 N 0.00 0.64 -0.48 1.11 4.15 0.74 -2.10 115.11 119.16 2p1i h GLN 126 Ca 0.00 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 2p1i h GLN 126 Cb 0.92 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 2p1i h GLN 126 CO 0.00 0.73 -0.12 0.82 -1.93 0.00 0.00 178.83 178.34 2p1i h ILE 127 N 0.46 1.26 0.62 2.39 2.04 -1.53 0.93 117.51 123.69 2p1i h ILE 127 Ca 0.11 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 2p1i h ILE 127 Cb 0.44 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2p1i h ILE 127 CO 0.02 0.43 -0.37 0.00 0.00 0.00 0.00 178.15 178.22 2p1i h ALA 128 N 1.06 -0.95 -0.07 1.87 0.00 -1.60 -1.27 119.26 118.29 2p1i h ALA 128 Ca 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2p1i h ALA 128 Cb 0.64 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2p1i h ALA 128 CO 0.04 -1.05 -0.03 -0.24 0.00 0.00 0.00 179.25 177.98 2p1i h VAL 129 N -0.93 1.07 0.00 0.00 3.04 -1.12 -2.11 116.25 116.19 2p1i h VAL 129 Ca -0.08 -0.28 -0.05 0.00 -1.01 0.00 0.00 66.70 65.28 2p1i h VAL 129 Cb 0.75 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2p1i h VAL 129 CO 0.08 0.09 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.15 2p1i h GLU 130 N 0.10 0.00 -0.17 4.17 5.08 -0.68 -1.56 114.58 121.52 2p1i h GLU 130 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2p1i h GLU 130 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2p1i h GLU 130 CO 0.00 0.26 -0.50 -0.91 -1.00 0.00 0.00 179.01 176.87 2p1i h ASN 131 N 0.00 0.50 -0.92 1.42 4.21 -0.59 -1.95 115.58 118.25 2p1i h ASN 131 Ca -0.00 -0.25 0.05 0.00 1.21 0.00 0.00 56.30 57.31 2p1i h ASN 131 Cb 1.17 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 38.17 2p1i h ASN 131 CO 0.03 0.91 0.59 0.40 -1.29 0.00 0.00 177.43 178.07 2p1i h ILE 132 N 0.36 1.11 -0.46 2.81 2.04 -1.22 -1.05 117.51 121.11 2p1i h ILE 132 Ca 0.02 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.52 2p1i h ILE 132 Cb 1.00 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2p1i h ILE 132 CO 0.09 0.20 0.26 0.45 0.00 0.00 0.00 178.15 179.15 2p1i h HIS 133 N 1.11 0.49 -0.51 1.37 3.86 -1.10 -2.19 115.15 118.18 2p1i h HIS 133 Ca 0.38 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.58 2p1i h HIS 133 Cb 0.08 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2p1i h HIS 133 CO -0.02 0.27 0.21 1.03 0.86 0.00 0.00 177.93 180.29 2p1i h SER 134 N 0.52 0.69 0.25 2.45 0.87 -0.95 -1.72 113.55 115.67 2p1i h SER 134 Ca 0.19 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 2p1i h SER 134 Cb 0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2p1i h SER 134 CO -0.10 0.66 -0.38 -0.08 -0.53 0.00 0.00 176.83 176.41 2p1i h GLU 135 N 0.68 0.18 -0.58 2.24 4.81 -1.15 -0.87 114.58 119.88 2p1i h GLU 135 Ca 0.17 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2p1i h GLU 135 Cb 0.18 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2p1i h GLU 135 CO -0.02 0.53 0.20 1.15 -0.73 0.00 0.00 179.01 180.15 2p1i h THR 136 N 0.15 1.23 -0.16 0.32 2.02 -0.81 0.17 112.91 115.83 2p1i h THR 136 Ca 0.02 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 2p1i h THR 136 Cb 0.74 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2p1i h THR 136 CO 0.06 0.29 -0.12 1.88 0.37 0.00 0.00 175.52 178.00 2p1i h TYR 137 N 0.82 0.43 -0.73 3.16 0.05 -0.91 0.16 116.97 119.96 2p1i h TYR 137 Ca 0.19 -0.12 0.10 0.00 0.05 0.00 0.00 58.73 58.95 2p1i h TYR 137 Cb 0.25 -0.09 -0.07 0.00 1.01 0.00 0.00 36.73 37.82 2p1i h TYR 137 CO 0.01 0.72 0.37 1.03 -1.05 0.00 0.00 178.16 179.24 2p1i h SER 138 N 0.02 0.48 -0.24 3.88 0.87 -1.09 0.36 113.55 117.84 2p1i h SER 138 Ca 0.03 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2p1i h SER 138 Cb 0.63 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2p1i h SER 138 CO 0.03 0.27 0.00 0.25 -0.53 0.00 0.00 176.83 176.85 2p1i h LEU 139 N 0.62 0.51 -0.02 2.23 5.85 -0.40 0.23 115.31 124.32 2p1i h LEU 139 Ca 0.36 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2p1i h LEU 139 Cb 0.38 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2p1i h LEU 139 CO -0.27 0.58 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.33 2p1i h LEU 140 N 0.52 0.04 -2.33 2.25 4.07 0.52 -2.79 115.31 117.60 2p1i h LEU 140 Ca 0.11 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2p1i h LEU 140 Cb 0.34 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 2p1i h LEU 140 CO 0.01 0.37 -0.04 0.40 -1.08 0.00 0.00 178.44 178.10 2p1i h ILE 141 N -0.28 0.44 -0.04 1.22 2.04 -0.24 0.58 117.51 121.23 2p1i h ILE 141 Ca 0.01 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2p1i h ILE 141 Cb 0.35 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2p1i h ILE 141 CO 0.00 0.04 -0.20 -0.78 0.00 0.00 0.00 178.15 177.21 2p1i h ASP 142 N 0.00 0.05 0.00 1.72 -0.00 -0.75 -2.76 116.42 114.68 2p1i h ASP 142 Ca -0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.03 56.77 2p1i h ASP 142 Cb 0.14 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.33 39.41 2p1i h ASP 142 CO 0.01 0.27 -1.64 0.59 -0.00 0.00 0.00 179.24 178.46 2p1i n ASN 143 N -4.27 1.91 -0.11 2.28 5.03 0.04 -3.72 115.26 116.43 2p1i n ASN 143 Ca -0.02 0.39 -0.03 0.00 0.87 0.00 0.00 54.58 55.79 2p1i n ASN 143 Cb 0.28 -0.84 0.19 0.00 -1.02 0.00 0.00 39.78 38.39 2p1i n ASN 143 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 2p1i h TYR 144 N -1.00 0.82 -2.07 3.10 -1.99 -1.31 -3.24 116.97 111.28 2p1i h TYR 144 Ca -0.37 -0.09 -0.57 0.00 2.00 0.00 0.00 58.73 59.70 2p1i h TYR 144 Cb 1.26 -0.23 -0.42 0.00 2.00 0.00 0.00 36.73 39.34 2p1i h TYR 144 CO -0.15 0.73 -0.74 -0.89 -0.00 0.00 0.00 178.16 177.11 2p1i n ILE 145 N -4.25 2.53 -0.31 -2.88 -0.00 -1.04 -4.98 119.36 108.43 2p1i n ILE 145 Ca 0.03 -5.28 -0.07 0.00 -0.00 0.00 0.00 62.75 57.43 2p1i n ILE 145 Cb 0.26 -1.19 -0.03 0.00 -0.00 0.00 0.00 39.64 38.68 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 2.91 -0.11 -6.30 0.38 6.56 -1.64 -3.42 116.57 114.95 2p1i h LYS 146 Ca 0.15 0.01 -0.55 0.00 -1.06 0.00 0.00 60.65 59.20 2p1i h LYS 146 Cb 0.65 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 2p1i h LYS 146 CO 0.78 -0.07 0.90 0.34 -2.06 0.00 0.00 179.45 179.33 2p1i s ASP 147 N -5.30 6.84 0.00 0.86 2.15 -1.26 -4.91 116.67 115.05 2p1i s ASP 147 Ca -0.14 2.03 0.10 0.00 0.43 0.00 0.00 52.55 54.98 2p1i s ASP 147 Cb 0.14 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.81 2p1i s ASP 147 CO 0.66 -0.76 1.07 1.21 -0.17 0.00 0.00 175.17 177.17 2p1i n GLU 148 N 6.00 0.30 -0.07 4.34 4.07 -1.26 -5.17 120.64 128.84 2p1i n GLU 148 Ca 0.14 0.02 0.06 0.00 -0.06 0.00 0.00 57.16 57.32 2p1i n GLU 148 Cb 0.44 -1.50 0.11 0.00 -0.06 0.00 0.00 31.44 30.43 2p1i n GLU 148 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2p1i n LYS 149 N -1.03 -0.01 0.00 5.31 4.81 -1.26 -5.20 118.16 120.79 2p1i n LYS 149 Ca 0.07 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2p1i n LYS 149 Cb 0.04 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 34.68 2p1i n LYS 149 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2p1i n LEU 154 N -3.00 0.00 0.01 3.14 4.32 0.47 -5.24 117.00 116.70 2p1i n LEU 154 Ca 0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.89 2p1i n LEU 154 Cb 0.25 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.91 2p1i n LEU 154 CO 0.03 0.00 -0.61 0.15 -1.22 0.00 0.00 177.39 175.74 2p1i h PHE 155 N 0.00 0.33 0.01 -1.77 3.04 -1.92 -3.40 116.94 113.24 2p1i h PHE 155 Ca 0.00 -0.24 -0.39 0.00 3.98 0.00 0.00 57.97 61.31 2p1i h PHE 155 Cb 0.00 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.44 2p1i h PHE 155 CO 0.00 1.45 -2.23 1.58 -2.02 0.00 0.00 178.31 177.09 2p1i n HIS 156 N -3.34 0.34 -3.65 0.41 -0.00 -1.26 -4.97 115.22 102.75 2p1i n HIS 156 Ca -0.24 0.12 -0.29 0.00 0.46 0.00 0.00 57.72 57.77 2p1i n HIS 156 Cb 1.05 -1.04 -0.15 0.00 -0.12 0.00 0.00 29.99 29.73 2p1i n HIS 156 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2p1i s ALA 157 N -2.49 1.23 -0.27 1.57 0.00 -1.26 -5.16 121.76 115.37 2p1i s ALA 157 Ca -0.34 -1.56 -0.00 0.00 0.00 0.00 0.00 51.96 50.06 2p1i s ALA 157 Cb 0.11 -1.56 0.15 0.00 0.00 0.00 0.00 23.12 21.81 2p1i s ALA 157 CO 0.57 -1.73 0.41 0.42 0.00 0.00 0.00 175.76 175.43 2p1i s ILE 158 N 1.64 -0.64 0.00 0.00 1.01 -1.26 -0.39 121.20 121.56 2p1i s ILE 158 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2p1i s ILE 158 Cb -0.18 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2p1i s ILE 158 CO -0.25 -0.20 0.00 2.30 0.00 0.00 0.00 174.94 176.79 2p1i n ILE 161 N 5.36 0.00 -0.18 2.92 -5.35 -1.26 -4.95 119.36 115.90 2p1i n ILE 161 Ca -0.01 0.00 0.20 0.00 -0.27 0.00 0.00 62.75 62.66 2p1i n ILE 161 Cb 0.50 0.00 0.57 0.00 -1.74 0.00 0.00 39.64 38.96 2p1i n ILE 161 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 2p1i h PRO 162 N 0.00 0.29 -0.39 6.28 0.11 -1.97 -1.37 132.00 134.95 2p1i h PRO 162 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2p1i h PRO 162 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2p1i h PRO 162 CO 0.00 0.19 0.16 0.00 -0.21 0.00 0.00 178.00 178.14 2p1i h ALA 163 N 1.63 1.55 -0.49 -0.75 0.00 -1.94 -0.61 119.26 118.65 2p1i h ALA 163 Ca 0.41 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2p1i h ALA 163 Cb 1.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2p1i h ALA 163 CO -0.11 0.35 -0.16 0.82 0.00 0.00 0.00 179.25 180.15 2p1i h ILE 164 N 0.55 1.27 -0.38 0.00 5.03 -1.64 0.13 117.51 122.46 2p1i h ILE 164 Ca 0.14 -1.30 0.04 0.00 -0.12 0.00 0.00 64.86 63.61 2p1i h ILE 164 Cb 0.10 1.05 -0.06 0.00 -3.03 0.00 0.00 36.82 34.89 2p1i h ILE 164 CO -0.01 0.45 -0.35 0.50 -0.68 0.00 0.00 178.15 178.05 2p1i h LYS 165 N 0.84 -0.16 -0.26 2.37 3.64 -0.90 0.31 116.57 122.41 2p1i h LYS 165 Ca 0.12 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2p1i h LYS 165 Cb 0.71 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2p1i h LYS 165 CO 0.05 -0.11 -0.28 -2.95 -2.27 0.00 0.00 179.45 173.90 2p1i h ASN 166 N -0.16 0.69 -0.61 4.20 -1.07 -1.14 -2.39 115.58 115.10 2p1i h ASN 166 Ca 0.06 -0.48 0.10 0.00 0.07 0.00 0.00 56.30 56.05 2p1i h ASN 166 Cb 0.33 -0.20 -0.07 0.00 -2.07 0.00 0.00 38.32 36.31 2p1i h ASN 166 CO -0.44 1.03 0.22 0.50 0.07 0.00 0.00 177.43 178.81 2p1i h LYS 167 N 0.37 0.38 0.17 4.14 3.64 -0.88 -1.27 116.57 123.12 2p1i h LYS 167 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2p1i h LYS 167 Cb 0.84 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2p1i h LYS 167 CO 0.07 0.25 -0.08 0.00 -2.27 0.00 0.00 179.45 177.42 2p1i h ALA 168 N 1.43 -0.23 -0.29 5.00 0.00 -0.95 -2.65 119.26 121.58 2p1i h ALA 168 Ca 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2p1i h ALA 168 Cb 0.39 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2p1i h ALA 168 CO -0.32 -0.43 0.11 -0.07 0.00 0.00 0.00 179.25 178.55 2p1i h LEU 169 N -0.63 0.35 -0.82 0.00 3.38 -1.30 0.35 115.31 116.65 2p1i h LEU 169 Ca -0.02 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2p1i h LEU 169 Cb 0.46 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2p1i h LEU 169 CO 0.04 0.33 0.19 -0.25 0.09 0.00 0.00 178.44 178.84 2p1i h TRP 170 N 0.40 1.12 0.00 1.13 7.01 -1.33 -1.16 115.95 123.12 2p1i h TRP 170 Ca 0.10 -0.12 -0.12 0.00 2.11 0.00 0.00 58.89 60.87 2p1i h TRP 170 Cb 0.08 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 2p1i h TRP 170 CO 0.00 0.90 -0.56 0.00 -2.79 0.00 0.00 178.44 175.99 2p1i h ALA 171 N 1.17 1.08 -0.15 2.65 0.00 -0.45 -2.42 119.26 121.14 2p1i h ALA 171 Ca 0.22 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 2p1i h ALA 171 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2p1i h ALA 171 CO -0.00 0.70 -0.71 0.00 0.00 0.00 0.00 179.25 179.23 2p1i h ALA 172 N 1.44 0.47 -0.33 0.00 0.00 -0.15 -2.04 119.26 118.64 2p1i h ALA 172 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 2p1i h ALA 172 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2p1i h ALA 172 CO 0.07 0.71 -0.30 0.87 0.00 0.00 0.00 179.25 180.60 2p1i h LYS 173 N 0.45 0.80 0.00 0.00 1.57 -1.08 -3.43 116.57 114.88 2p1i h LYS 173 Ca -0.03 -0.41 -0.14 0.00 -1.87 0.00 0.00 60.65 58.20 2p1i h LYS 173 Cb 1.31 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 2p1i h LYS 173 CO 0.14 1.04 -1.28 0.91 -0.57 0.00 0.00 179.45 179.68 2p1i n TRP 174 N -4.20 0.00 -2.15 -1.35 7.02 -0.92 -5.01 117.44 110.82 2p1i n TRP 174 Ca -0.03 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.18 2p1i n TRP 174 Cb 0.49 -0.35 0.11 0.00 -2.42 0.00 0.00 31.31 29.14 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 -2.25 2.14 -1.35 -0.99 1.01 -0.77 -4.28 121.20 114.71 2p1i s ILE 175 Ca -0.15 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 2p1i s ILE 175 Cb 0.05 -2.93 0.17 0.00 0.01 0.00 0.00 42.46 39.76 2p1i s ILE 175 CO 0.19 0.00 0.44 0.59 0.00 0.00 0.00 174.94 176.16 2p1i n ASN 176 N -3.19 -1.72 -4.81 3.58 3.02 -1.26 -4.52 115.26 106.36 2p1i n ASN 176 Ca 0.11 -0.74 -0.26 0.00 -0.03 0.00 0.00 54.58 53.67 2p1i n ASN 176 Cb 0.60 -1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.20 2p1i n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2p1i s ASP 177 N -2.89 4.53 -0.54 6.41 3.68 -1.26 -5.03 116.67 121.56 2p1i s ASP 177 Ca 0.59 -1.15 0.06 0.00 2.13 0.00 0.00 52.55 54.18 2p1i s ASP 177 Cb -0.34 -0.11 0.23 0.00 -1.45 0.00 0.00 42.92 41.25 2p1i s ASP 177 CO 0.73 -0.76 0.61 0.35 0.13 0.00 0.00 175.17 176.23 2p1i n THR 178 N -1.44 0.94 0.00 1.71 -2.24 -1.26 -4.92 114.28 107.07 2p1i n THR 178 Ca -0.03 -4.62 0.00 0.00 -2.27 0.00 0.00 64.05 57.13 2p1i n THR 178 Cb 0.64 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 2p1i n THR 178 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2p1i n ASN 179 N 1.32 0.00 -4.01 3.42 2.85 -1.26 -5.15 115.26 112.43 2p1i n ASN 179 Ca 0.26 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.54 2p1i n ASN 179 Cb 0.45 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.32 2p1i n ASN 179 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2p1i s SER 180 N 0.82 1.02 0.12 1.20 0.01 -1.26 -5.03 113.70 110.57 2p1i s SER 180 Ca 0.00 -0.16 -0.14 0.00 1.31 0.00 0.00 55.95 56.97 2p1i s SER 180 Cb 0.00 -0.14 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 2p1i s SER 180 CO 0.00 0.10 1.47 0.15 0.41 0.00 0.00 173.24 175.37 2p1i h PHE 181 N 6.01 0.91 -0.88 2.43 3.57 -2.00 -2.92 116.94 124.06 2p1i h PHE 181 Ca -0.31 -0.24 0.08 0.00 3.53 0.00 0.00 57.97 61.03 2p1i h PHE 181 Cb 1.18 -0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.61 2p1i h PHE 181 CO 0.41 1.00 -0.52 0.00 -2.23 0.00 0.00 178.31 176.96 2p1i n ALA 182 N -2.49 -0.57 -0.25 2.41 0.00 -1.26 -1.47 120.51 116.89 2p1i n ALA 182 Ca -0.03 0.75 0.02 0.00 0.00 0.00 0.00 53.44 54.19 2p1i n ALA 182 Cb 0.44 -0.12 0.15 0.00 0.00 0.00 0.00 19.45 19.93 2p1i n ALA 182 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2p1i h GLU 183 N 0.00 0.54 -0.22 0.00 5.08 -1.94 -2.45 114.58 115.59 2p1i h GLU 183 Ca 0.14 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2p1i h GLU 183 Cb 0.36 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2p1i h GLU 183 CO -0.83 0.36 -0.31 0.00 -1.00 0.00 0.00 179.01 177.22 2p1i h ARG 184 N 0.55 0.44 -0.35 2.33 3.08 -1.06 -0.43 114.38 118.94 2p1i h ARG 184 Ca 0.36 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2p1i h ARG 184 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2p1i h ARG 184 CO -0.30 0.71 0.10 0.82 -1.07 0.00 0.00 179.97 180.23 2p1i h ILE 185 N 0.38 1.21 -0.13 2.04 2.04 -1.19 0.14 117.51 122.01 2p1i h ILE 185 Ca 0.05 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.22 2p1i h ILE 185 Cb 0.74 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2p1i h ILE 185 CO 0.06 0.24 0.06 0.58 0.00 0.00 0.00 178.15 179.08 2p1i h VAL 186 N 0.41 0.99 -0.38 1.67 2.07 -1.01 0.31 116.25 120.30 2p1i h VAL 186 Ca 0.11 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2p1i h VAL 186 Cb 0.26 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2p1i h VAL 186 CO -0.00 0.02 -0.05 0.00 0.02 0.00 0.00 177.57 177.56 2p1i h ALA 187 N 1.07 1.19 -0.34 1.67 0.00 -1.06 -2.30 119.26 119.50 2p1i h ALA 187 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2p1i h ALA 187 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2p1i h ALA 187 CO -0.04 0.52 -0.10 -0.97 0.00 0.00 0.00 179.25 178.66 2p1i h ASN 188 N 0.59 0.56 0.71 0.00 -0.00 -0.06 -1.20 115.58 116.18 2p1i h ASN 188 Ca 0.11 -0.15 -0.06 0.00 -0.00 0.00 0.00 56.30 56.21 2p1i h ASN 188 Cb 0.46 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.62 2p1i h ASN 188 CO 0.02 0.70 -0.30 0.00 -0.00 0.00 0.00 177.43 177.86 2p1i h ALA 189 N 1.36 1.10 0.10 1.57 0.00 0.02 -1.71 119.26 121.70 2p1i h ALA 189 Ca 0.10 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2p1i h ALA 189 Cb 0.49 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.26 2p1i h ALA 189 CO 0.03 0.37 -1.22 0.00 0.00 0.00 0.00 179.25 178.43 2p1i h VAL 191 N 0.30 1.12 -0.99 0.00 2.07 -0.88 0.54 116.25 118.41 2p1i h VAL 191 Ca -0.18 -0.22 -0.53 0.00 0.82 0.00 0.00 66.70 66.58 2p1i h VAL 191 Cb 1.89 0.45 -0.30 0.00 -1.52 0.00 0.00 31.29 31.80 2p1i h VAL 191 CO 0.23 0.12 0.68 -0.62 0.02 0.00 0.00 177.57 178.00 2p1i n GLU 192 N -4.76 2.29 0.00 1.57 1.02 -0.68 -3.84 120.64 116.24 2p1i n GLU 192 Ca 0.02 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 54.15 2p1i n GLU 192 Cb 0.02 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 -1.09 0.08 0.13 0.62 0.00 -0.89 -3.83 105.19 100.20 2p1i n GLY 193 Ca 0.60 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 2p1i n GLY 193 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2p1i n ILE 194 N -1.68 1.54 -2.10 -0.61 5.41 0.18 -4.59 119.36 117.51 2p1i n ILE 194 Ca 0.00 -0.37 -0.42 0.00 1.00 0.00 0.00 62.75 62.96 2p1i n ILE 194 Cb 0.00 -1.82 -0.03 0.00 -0.71 0.00 0.00 39.64 37.09 2p1i n ILE 194 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2p1i s LEU 195 N -7.36 4.37 0.00 1.39 1.43 -0.37 -2.48 118.68 115.67 2p1i s LEU 195 Ca -0.35 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2p1i s LEU 195 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2p1i s LEU 195 CO 0.55 -0.69 0.00 0.49 0.23 0.00 0.00 176.35 176.93 2p1i n PHE 196 N 3.79 0.00 -0.35 0.29 3.72 -1.26 -4.72 117.46 118.92 2p1i n PHE 196 Ca 0.11 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.80 2p1i n PHE 196 Cb 0.41 -0.01 0.59 0.00 -0.94 0.00 0.00 39.48 39.53 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 0.31 -0.13 4.37 0.87 -1.73 0.51 113.55 117.75 2p1i h SER 197 Ca 0.00 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2p1i h SER 197 Cb 0.00 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2p1i h SER 197 CO 0.00 0.01 -0.10 1.23 -0.53 0.00 0.00 176.83 177.44 2p1i h GLY 198 N 0.25 0.33 1.93 5.77 0.00 -1.90 -2.89 103.07 106.56 2p1i h GLY 198 Ca 0.64 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.50 2p1i h GLY 198 CO -0.26 0.29 -0.68 1.76 0.00 0.00 0.00 176.54 177.64 2p1i h SER 199 N -0.06 0.08 -0.20 0.19 0.02 -0.86 -2.14 113.55 110.58 2p1i h SER 199 Ca 0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2p1i h SER 199 Cb 0.60 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2p1i h SER 199 CO 0.03 0.74 0.03 -0.26 -1.14 0.00 0.00 176.83 176.23 2p1i h PHE 200 N 0.05 0.35 -0.26 3.45 0.05 -0.30 -2.84 116.94 117.44 2p1i h PHE 200 Ca -0.01 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.70 2p1i h PHE 200 Cb 1.21 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 39.05 2p1i h PHE 200 CO 0.01 0.47 0.03 0.00 -0.18 0.00 0.00 178.31 178.64 2p1i h ALA 202 N 1.68 1.19 -0.10 0.00 0.00 -1.17 -2.38 119.26 118.47 2p1i h ALA 202 Ca 0.09 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2p1i h ALA 202 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2p1i h ALA 202 CO 0.00 0.52 -0.54 0.82 0.00 0.00 0.00 179.25 180.06 2p1i h ILE 203 N 0.35 1.36 -0.28 0.00 5.03 -1.15 -2.71 117.51 120.10 2p1i h ILE 203 Ca 0.05 -1.82 -0.01 0.00 -0.12 0.00 0.00 64.86 62.96 2p1i h ILE 203 Cb 0.63 1.87 -0.01 0.00 -3.03 0.00 0.00 36.82 36.28 2p1i h ILE 203 CO 0.05 0.54 0.13 -0.26 -0.68 0.00 0.00 178.15 177.93 2p1i h PHE 204 N 0.22 0.37 -0.60 1.37 -1.00 -1.15 -1.13 116.94 115.03 2p1i h PHE 204 Ca 0.00 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.94 2p1i h PHE 204 Cb 1.02 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.43 2p1i h PHE 204 CO 0.02 0.29 0.42 2.35 -1.61 0.00 0.00 178.31 179.78 2p1i h TRP 205 N 0.39 0.13 0.04 -0.55 2.91 -1.10 0.15 115.95 117.91 2p1i h TRP 205 Ca 0.10 0.00 -0.24 0.00 1.13 0.00 0.00 58.89 59.89 2p1i h TRP 205 Cb 0.05 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.64 2p1i h TRP 205 CO 0.00 0.05 -1.14 0.74 -1.03 0.00 0.00 178.44 177.06 2p1i h PHE 206 N 0.11 0.14 -0.99 2.65 -1.00 -1.31 -3.27 116.94 113.27 2p1i h PHE 206 Ca 0.29 -0.10 0.02 0.00 2.81 0.00 0.00 57.97 60.99 2p1i h PHE 206 Cb 0.99 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 2p1i h PHE 206 CO -0.00 1.09 0.65 -0.22 -1.61 0.00 0.00 178.31 178.22 2p1i h LYS 207 N 0.02 1.26 0.00 1.51 3.64 -0.34 -2.35 116.57 120.32 2p1i h LYS 207 Ca -0.07 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2p1i h LYS 207 Cb 1.85 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2p1i h LYS 207 CO 0.14 0.84 0.00 -0.22 -2.27 0.00 0.00 179.45 177.94 2p1i h LYS 208 N 1.30 0.00 -0.71 1.90 1.63 -0.94 -2.12 116.57 117.62 2p1i h LYS 208 Ca 0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 2p1i h LYS 208 Cb -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 2p1i h LYS 208 CO -0.10 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 176.94 2p1i n GLN 209 N -3.05 2.90 -3.94 1.90 6.02 -0.99 -4.96 117.38 115.27 2p1i n GLN 209 Ca -0.00 -2.66 -0.26 0.00 -0.01 0.00 0.00 57.00 54.06 2p1i n GLN 209 Cb 0.23 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 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 1.52 -0.86 -4.37 1.08 4.13 -0.80 -4.98 115.26 110.99 2p1i n ASN 210 Ca 0.25 -0.97 -0.19 0.00 1.68 0.00 0.00 54.58 55.35 2p1i n ASN 210 Cb 0.67 -3.20 -0.10 0.00 -1.54 0.00 0.00 39.78 35.61 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 -6.51 1.40 -1.25 3.52 1.02 -0.92 -4.94 119.74 112.06 2p1i s LYS 211 Ca 0.09 -1.70 -0.04 0.00 0.02 0.00 0.00 55.97 54.34 2p1i s LYS 211 Cb -0.05 -0.89 -0.01 0.00 -0.52 0.00 0.00 37.83 36.36 2p1i s LYS 211 CO 0.88 -0.00 0.73 1.28 -0.92 0.00 0.00 175.35 177.32 2p1i n LEU 212 N -0.47 -3.31 -3.30 3.17 4.77 -1.26 -4.23 117.00 112.38 2p1i n LEU 212 Ca -0.06 -0.85 -0.03 0.00 -0.03 0.00 0.00 56.01 55.04 2p1i n LEU 212 Cb 0.63 -2.66 -0.00 0.00 -2.33 0.00 0.00 43.42 39.06 2p1i n LEU 212 CO 0.37 0.39 -0.02 0.00 -1.33 0.00 0.00 177.39 176.80 2p1i n HIS 213 N -4.15 -0.10 -0.98 -1.77 1.44 -1.26 -0.70 115.22 107.70 2p1i n HIS 213 Ca -0.24 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 2p1i n HIS 213 Cb 0.66 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.06 0.83 0.28 -1.39 0.00 -1.26 -4.69 105.19 97.90 2p1i n GLY 214 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.77 0.18 0.99 5.85 -1.28 -2.26 115.31 119.56 2p1i h LEU 215 Ca 0.00 -0.21 -0.32 0.00 0.84 0.00 0.00 57.88 58.19 2p1i h LEU 215 Cb 0.00 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.84 2p1i h LEU 215 CO 0.00 0.87 -1.57 0.71 -0.34 0.00 0.00 178.44 178.11 2p1i h THR 216 N 0.73 1.06 -0.18 1.05 1.35 -1.63 -2.79 112.91 112.50 2p1i h THR 216 Ca 0.13 -2.53 -0.14 0.00 -0.55 0.00 0.00 66.41 63.32 2p1i h THR 216 Cb 0.53 2.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.78 2p1i h THR 216 CO 0.03 0.81 -0.49 0.15 -0.25 0.00 0.00 175.52 175.77 2p1i h PHE 217 N 0.00 0.57 0.19 4.73 3.57 -1.80 0.48 116.94 124.68 2p1i h PHE 217 Ca -0.31 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 2p1i h PHE 217 Cb 2.02 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.64 2p1i h PHE 217 CO 0.12 0.87 -0.09 0.66 -2.23 0.00 0.00 178.31 177.63 2p1i h SER 218 N 0.37 -0.22 -0.31 0.41 4.64 -1.56 -2.57 113.55 114.32 2p1i h SER 218 Ca 0.02 -0.26 0.09 0.00 -0.47 0.00 0.00 61.79 61.16 2p1i h SER 218 Cb 0.99 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2p1i h SER 218 CO 0.09 0.18 0.47 -1.13 -0.87 0.00 0.00 176.83 175.56 2p1i h ASN 219 N -0.64 0.00 -0.05 4.97 -1.24 -1.38 0.39 115.58 117.63 2p1i h ASN 219 Ca -0.03 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.92 2p1i h ASN 219 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2p1i h ASN 219 CO 0.04 0.00 -0.21 -0.33 -1.29 0.00 0.00 177.43 175.64 2p1i h GLU 220 N 0.00 0.23 -0.40 6.67 5.08 -0.66 -1.89 114.58 123.61 2p1i h GLU 220 Ca 0.15 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2p1i h GLU 220 Cb 1.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2p1i h GLU 220 CO -0.00 0.83 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.42 2p1i h LEU 221 N -0.31 0.99 0.00 1.33 3.38 0.03 -1.96 115.31 118.77 2p1i h LEU 221 Ca -0.01 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2p1i h LEU 221 Cb 0.86 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2p1i h LEU 221 CO 0.04 1.23 -0.00 0.40 0.09 0.00 0.00 178.44 180.20 2p1i h ILE 222 N 0.78 1.19 -0.73 1.22 2.04 -0.88 -1.03 117.51 120.09 2p1i h ILE 222 Ca 0.07 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2p1i h ILE 222 Cb 0.93 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2p1i h ILE 222 CO 0.09 0.15 0.37 0.77 0.00 0.00 0.00 178.15 179.53 2p1i h SER 223 N -0.25 0.94 -0.51 1.72 4.64 -1.37 0.35 113.55 119.07 2p1i h SER 223 Ca -0.00 -0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2p1i h SER 223 Cb 0.24 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2p1i h SER 223 CO 0.00 0.79 0.31 -0.09 -0.87 0.00 0.00 176.83 176.97 2p1i h ARG 224 N 1.02 0.59 0.69 4.77 2.43 -1.38 0.22 114.38 122.71 2p1i h ARG 224 Ca 0.25 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2p1i h ARG 224 Cb 0.08 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2p1i h ARG 224 CO -0.04 0.39 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.04 2p1i h ASP 225 N 0.61 -0.79 -0.01 -3.80 3.32 -0.23 -1.09 116.42 114.44 2p1i h ASP 225 Ca 0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2p1i h ASP 225 Cb 0.03 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2p1i h ASP 225 CO -0.10 -0.52 0.04 -0.33 -1.72 0.00 0.00 179.24 176.62 2p1i h GLU 226 N -1.00 0.00 -0.35 3.56 4.39 -0.33 0.29 114.58 121.13 2p1i h GLU 226 Ca -0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 2p1i h GLU 226 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2p1i h GLU 226 CO 0.16 0.00 -0.26 0.78 -1.16 0.00 0.00 179.01 178.52 2p1i h GLY 227 N 0.00 0.77 1.05 -3.84 0.00 -0.08 -2.60 103.07 98.38 2p1i h GLY 227 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 2p1i h GLY 227 CO -0.00 0.62 0.17 -2.00 0.00 0.00 0.00 176.54 175.33 2p1i h LEU 228 N 0.62 1.03 -0.92 3.11 5.85 0.80 -2.59 115.31 123.20 2p1i h LEU 228 Ca 0.08 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2p1i h LEU 228 Cb 0.77 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2p1i h LEU 228 CO 0.06 0.99 -0.46 0.45 -0.34 0.00 0.00 178.44 179.15 2p1i h HIS 229 N 1.02 0.00 0.30 1.25 3.86 -1.42 -2.10 115.15 118.06 2p1i h HIS 229 Ca 0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2p1i h HIS 229 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2p1i h HIS 229 CO 0.03 0.46 -0.14 1.15 0.86 0.00 0.00 177.93 180.28 2p1i h THR 230 N 0.00 0.73 -0.00 2.45 2.02 -1.13 -1.97 112.91 115.00 2p1i h THR 230 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2p1i h THR 230 Cb 0.94 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2p1i h THR 230 CO 0.06 0.05 0.00 0.44 0.37 0.00 0.00 175.52 176.44 2p1i h ASP 231 N -0.54 0.00 0.32 4.18 3.32 -1.28 -2.90 116.42 119.52 2p1i h ASP 231 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2p1i h ASP 231 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2p1i h ASP 231 CO 0.07 0.00 -0.16 0.15 -1.72 0.00 0.00 179.24 177.58 2p1i h PHE 232 N 0.00 -0.40 -0.05 4.55 3.57 -0.70 -2.75 116.94 121.15 2p1i h PHE 232 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2p1i h PHE 232 Cb 0.00 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2p1i h PHE 232 CO 0.00 -0.07 0.10 -0.91 -2.23 0.00 0.00 178.31 175.20 2p1i h ASN 233 N -0.78 0.00 -0.33 0.41 2.35 -1.20 -0.08 115.58 115.95 2p1i h ASN 233 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2p1i h ASN 233 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2p1i h ASN 233 CO 0.07 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.82 2p1i h LEU 235 N 0.40 0.12 -0.24 0.00 5.85 -0.75 0.35 115.31 121.05 2p1i h LEU 235 Ca 0.09 -0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.55 2p1i h LEU 235 Cb 0.50 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2p1i h LEU 235 CO 0.02 0.52 -0.86 -0.29 -0.34 0.00 0.00 178.44 177.49 2p1i h ILE 236 N 0.10 1.38 -0.45 4.05 6.09 -1.38 -1.97 117.51 125.33 2p1i h ILE 236 Ca 0.01 -2.29 -0.04 0.00 -1.37 0.00 0.00 64.86 61.17 2p1i h ILE 236 Cb 0.77 2.27 -0.02 0.00 0.47 0.00 0.00 36.82 40.31 2p1i h ILE 236 CO 0.06 0.69 0.12 0.22 -3.07 0.00 0.00 178.15 176.16 2p1i h TYR 237 N 0.28 0.67 0.00 2.19 5.03 -0.63 -2.54 116.97 121.97 2p1i h TYR 237 Ca -0.06 -0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.15 2p1i h TYR 237 Cb 1.48 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 2p1i h TYR 237 CO 0.06 0.57 -0.23 0.66 -1.32 0.00 0.00 178.16 177.90 2p1i h SER 238 N 0.65 0.00 -0.72 -2.11 4.64 -0.07 -1.78 113.55 114.16 2p1i h SER 238 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2p1i h SER 238 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2p1i h SER 238 CO -0.00 0.23 0.00 0.18 -0.87 0.00 0.00 176.83 176.37 2p1i n LEU 239 N -4.26 3.88 -4.71 5.97 4.77 -0.76 -5.01 117.00 116.88 2p1i n LEU 239 Ca -0.02 -1.93 -0.42 0.00 -0.03 0.00 0.00 56.01 53.60 2p1i n LEU 239 Cb 0.29 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2p1i n LEU 239 CO 0.37 0.97 1.04 -0.22 -1.33 0.00 0.00 177.39 178.22 2p1i s LEU 240 N -1.01 4.35 0.61 2.23 2.96 -0.67 -4.93 118.68 122.22 2p1i s LEU 240 Ca 0.48 2.19 0.29 0.00 -0.22 0.00 0.00 54.13 56.87 2p1i s LEU 240 Cb 0.25 -3.58 1.52 0.00 0.50 0.00 0.00 46.19 44.88 2p1i s LEU 240 CO 0.33 -0.63 1.91 -0.33 -1.32 0.00 0.00 176.35 176.31 2p1i h GLU 241 N 7.13 0.00 -0.81 1.98 5.08 -1.89 -3.37 114.58 122.70 2p1i h GLU 241 Ca -0.41 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.05 2p1i h GLU 241 Cb 1.20 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.24 2p1i h GLU 241 CO 0.86 0.00 -0.24 -0.80 -1.00 0.00 0.00 179.01 177.84 2p1i s ASN 242 N -5.04 -1.25 0.67 1.42 0.01 -1.26 -5.17 114.94 104.33 2p1i s ASN 242 Ca -0.04 0.37 -0.12 0.00 -0.71 0.00 0.00 52.86 52.36 2p1i s ASN 242 Cb 0.14 1.88 -0.00 0.00 0.41 0.00 0.00 41.25 43.67 2p1i s ASN 242 CO 0.47 -0.23 1.06 -0.54 -1.51 0.00 0.00 177.10 176.35 2p1i s LYS 243 N 2.87 3.06 0.46 -0.60 3.01 -1.26 -4.94 119.74 122.34 2p1i s LYS 243 Ca 0.15 0.98 -0.19 0.00 -1.01 0.00 0.00 55.97 55.90 2p1i s LYS 243 Cb -0.10 -2.00 -0.10 0.00 -1.01 0.00 0.00 37.83 34.62 2p1i s LYS 243 CO -0.23 -1.01 0.96 -0.51 0.51 0.00 0.00 175.35 175.08 2p1i s LEU 244 N -5.33 3.82 0.25 3.17 1.43 -1.26 -5.03 118.68 115.73 2p1i s LEU 244 Ca 0.59 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.02 2p1i s LEU 244 Cb -0.14 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.46 2p1i s LEU 244 CO 0.52 -0.44 1.45 -2.84 0.23 0.00 0.00 176.35 175.26 2p1i s PRO 245 N -3.52 4.26 0.64 1.29 0.02 -1.26 -4.88 135.00 131.54 2p1i s PRO 245 Ca 0.61 2.32 0.32 0.00 0.02 0.00 0.00 61.00 64.26 2p1i s PRO 245 Cb -0.09 -3.11 1.72 0.00 0.02 0.00 0.00 34.50 33.04 2p1i s PRO 245 CO 0.20 -0.44 1.96 1.05 -0.33 0.00 0.00 177.00 179.45 2p1i h GLU 246 N 5.09 0.00 -0.59 5.54 4.11 -1.97 -0.47 114.58 126.29 2p1i h GLU 246 Ca -0.46 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.04 2p1i h GLU 246 Cb 1.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 2p1i h GLU 246 CO 0.78 0.00 -0.52 -0.97 0.07 0.00 0.00 179.01 178.37 2p1i h ASN 247 N 0.00 -1.81 -0.01 3.06 -0.73 -2.00 -1.58 115.58 112.52 2p1i h ASN 247 Ca 0.00 0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.43 2p1i h ASN 247 Cb 0.51 0.78 0.00 0.00 0.27 0.00 0.00 38.32 39.88 2p1i h ASN 247 CO 0.00 -0.35 -0.02 0.58 -0.37 0.00 0.00 177.43 177.27 2p1i h VAL 248 N -0.26 1.47 -0.75 2.57 2.07 -1.46 -3.09 116.25 116.80 2p1i h VAL 248 Ca 0.13 -1.41 0.17 0.00 0.82 0.00 0.00 66.70 66.41 2p1i h VAL 248 Cb 0.55 2.39 -0.13 0.00 -1.52 0.00 0.00 31.29 32.58 2p1i h VAL 248 CO -0.70 0.37 -0.02 0.58 0.02 0.00 0.00 177.57 177.82 2p1i h VAL 249 N -0.55 0.33 -0.89 2.57 2.07 -1.55 0.40 116.25 118.63 2p1i h VAL 249 Ca -0.00 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2p1i h VAL 249 Cb 0.62 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2p1i h VAL 249 CO 0.01 0.02 0.58 1.56 0.02 0.00 0.00 177.57 179.75 2p1i h GLN 250 N 0.09 1.01 0.28 1.57 4.20 -1.30 -1.45 115.11 119.51 2p1i h GLN 250 Ca 0.40 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 2p1i h GLN 250 Cb 0.70 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2p1i h GLN 250 CO -0.68 0.67 -0.18 -0.91 -0.67 0.00 0.00 178.83 177.06 2p1i h ASN 251 N 1.04 -0.46 -0.39 1.46 2.35 -0.86 0.64 115.58 119.36 2p1i h ASN 251 Ca 0.37 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 56.22 2p1i h ASN 251 Cb 0.14 0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 2p1i h ASN 251 CO -0.13 -0.29 0.03 0.40 -1.65 0.00 0.00 177.43 175.79 2p1i h ILE 252 N -0.45 0.74 -0.27 2.81 2.04 -1.06 -1.79 117.51 119.52 2p1i h ILE 252 Ca -0.03 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 2p1i h ILE 252 Cb 0.38 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2p1i h ILE 252 CO 0.02 0.03 -0.11 0.58 0.00 0.00 0.00 178.15 178.66 2p1i h VAL 253 N 0.14 1.29 0.24 1.67 2.07 -1.01 0.06 116.25 120.71 2p1i h VAL 253 Ca 0.19 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2p1i h VAL 253 Cb 0.26 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2p1i h VAL 253 CO -0.29 0.37 -0.43 0.50 0.02 0.00 0.00 177.57 177.74 2p1i h LYS 254 N 0.29 -0.71 -0.77 1.57 3.64 -0.77 0.14 116.57 119.96 2p1i h LYS 254 Ca 0.06 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 2p1i h LYS 254 Cb 0.61 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.51 2p1i h LYS 254 CO 0.04 -0.47 0.35 0.93 -2.27 0.00 0.00 179.45 178.02 2p1i h GLU 255 N -0.74 0.52 -0.63 1.90 5.08 -1.14 0.29 114.58 119.86 2p1i h GLU 255 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2p1i h GLU 255 Cb 0.72 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2p1i h GLU 255 CO -0.18 0.34 0.37 0.00 -1.00 0.00 0.00 179.01 178.54 2p1i h ALA 256 N 1.52 1.46 -0.42 3.43 0.00 -0.29 -1.70 119.26 123.26 2p1i h ALA 256 Ca 0.41 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2p1i h ALA 256 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2p1i h ALA 256 CO -0.36 0.46 -0.03 0.28 0.00 0.00 0.00 179.25 179.60 2p1i h VAL 257 N 0.87 1.27 -0.41 0.00 2.07 0.23 0.16 116.25 120.44 2p1i h VAL 257 Ca 0.23 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 2p1i h VAL 257 Cb -0.01 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2p1i h VAL 257 CO -0.04 0.37 -0.11 -0.08 0.02 0.00 0.00 177.57 177.73 2p1i h GLU 258 N 0.59 0.79 -0.02 1.57 4.57 -1.00 -0.90 114.58 120.18 2p1i h GLU 258 Ca 0.12 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2p1i h GLU 258 Cb 0.53 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2p1i h GLU 258 CO 0.03 0.93 0.00 0.28 -1.18 0.00 0.00 179.01 179.07 2p1i h VAL 259 N 0.61 1.19 -0.40 0.32 2.07 -1.17 -2.81 116.25 116.07 2p1i h VAL 259 Ca 0.10 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2p1i h VAL 259 Cb 0.64 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2p1i h VAL 259 CO 0.04 0.15 0.10 -0.08 0.02 0.00 0.00 177.57 177.81 2p1i h GLU 260 N -0.20 0.24 -0.05 1.57 4.57 -0.89 -2.98 114.58 116.84 2p1i h GLU 260 Ca 0.01 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2p1i h GLU 260 Cb 0.24 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2p1i h GLU 260 CO 0.00 0.16 -0.02 0.00 -1.18 0.00 0.00 179.01 177.97 2p1i h ARG 261 N 0.24 0.07 0.00 1.92 3.08 -1.08 -0.68 114.38 117.93 2p1i h ARG 261 Ca 0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2p1i h ARG 261 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2p1i h ARG 261 CO -0.23 0.09 0.00 -1.13 -1.07 0.00 0.00 179.97 177.64 2p1i n SER 262 N -4.47 0.00 0.00 7.04 3.41 -1.07 -1.55 113.62 116.98 2p1i n SER 262 Ca -0.02 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 2p1i n SER 262 Cb 0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.01 0.00 0.26 7.33 0.99 -0.26 -1.54 117.46 123.22 2p1i n PHE 263 Ca 0.16 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.74 2p1i n PHE 263 Cb 0.08 0.00 0.65 0.00 -1.00 0.00 0.00 39.48 39.21 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 0.43 -0.01 4.37 -0.00 -1.61 0.99 117.51 121.68 2p1i h ILE 264 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 64.86 64.15 2p1i h ILE 264 Cb 0.00 1.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.32 2p1i h ILE 264 CO 0.00 0.13 -0.59 0.00 -0.00 0.00 0.00 178.15 177.69 2p1i n GLU 266 N -0.48 0.00 -0.04 0.00 1.02 -1.15 -4.83 120.64 115.16 2p1i n GLU 266 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 2p1i n GLU 266 Cb 0.40 -0.08 -0.08 0.00 -0.02 0.00 0.00 31.44 31.65 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 0.35 -3.34 1.62 0.02 -0.17 -3.40 113.55 108.63 2p1i h SER 267 Ca 0.00 -0.56 -0.55 0.00 -0.84 0.00 0.00 61.79 59.84 2p1i h SER 267 Cb 0.00 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 62.05 2p1i h SER 267 CO 0.00 0.84 -0.77 -0.22 -1.14 0.00 0.00 176.83 175.55 2p1i s LEU 268 N -8.92 1.65 -0.08 5.07 2.96 0.33 -5.03 118.68 114.66 2p1i s LEU 268 Ca -0.14 -1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 2p1i s LEU 268 Cb 0.04 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 2p1i s LEU 268 CO 0.75 -0.31 1.20 -2.16 -1.32 0.00 0.00 176.35 174.52 2p1i s PRO 269 N 1.72 4.33 0.53 0.98 0.04 -1.25 -3.59 135.00 137.76 2p1i s PRO 269 Ca -0.01 1.65 0.30 0.00 0.04 0.00 0.00 61.00 62.98 2p1i s PRO 269 Cb -0.18 -3.59 1.44 0.00 0.04 0.00 0.00 34.50 32.21 2p1i s PRO 269 CO -0.10 -0.49 2.04 0.00 0.04 0.00 0.00 177.00 178.49 2p1i n ASP 271 N -3.43 2.87 0.00 0.00 -0.08 -1.26 -1.36 116.55 113.29 2p1i n ASP 271 Ca -0.01 -1.72 0.00 0.00 -1.51 0.00 0.00 54.79 51.55 2p1i n ASP 271 Cb 0.27 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.13 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 1.60 0.00 -0.18 -2.67 4.77 -1.26 -4.73 117.00 114.52 2p1i n LEU 272 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2p1i n LEU 272 Cb 0.28 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.54 2p1i n LEU 272 CO 0.00 0.00 0.39 2.30 -1.33 0.00 0.00 177.39 178.75 2p1i n ILE 273 N 0.00 0.00 0.00 -0.08 -5.35 -0.47 -4.54 119.36 108.93 2p1i n ILE 273 Ca 0.00 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2p1i n ILE 273 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 1.43 1.09 3.86 3.28 0.00 -1.24 -5.02 105.19 108.59 2p1i n GLY 274 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 1.69 -0.22 1.61 -1.94 -1.14 -5.01 119.30 114.29 2p1i s MET 275 Ca 0.00 0.16 -0.05 0.00 -1.71 0.00 0.00 55.69 54.09 2p1i s MET 275 Cb 0.00 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.91 2p1i s MET 275 CO 0.00 -1.80 -0.01 1.21 -0.01 0.00 0.00 175.02 174.42 2p1i s ASN 276 N -4.41 4.63 0.42 3.03 3.84 -1.26 -4.01 114.94 117.17 2p1i s ASN 276 Ca 0.63 -0.30 0.11 0.00 0.21 0.00 0.00 52.86 53.51 2p1i s ASN 276 Cb -0.12 -1.80 0.94 0.00 -0.55 0.00 0.00 41.25 39.72 2p1i s ASN 276 CO 0.50 0.00 1.99 0.28 -2.79 0.00 0.00 177.10 177.08 2p1i h SER 277 N 7.96 0.44 -0.41 -4.21 0.02 -1.91 0.34 113.55 115.78 2p1i h SER 277 Ca -0.39 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.41 2p1i h SER 277 Cb 1.17 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2p1i h SER 277 CO 0.60 0.28 -0.34 0.03 -1.14 0.00 0.00 176.83 176.26 2p1i h ARG 278 N 0.50 0.96 -0.42 3.45 2.47 -1.95 0.57 114.38 119.97 2p1i h ARG 278 Ca 0.26 -0.48 -0.03 0.00 -1.26 0.00 0.00 59.98 58.47 2p1i h ARG 278 Cb 0.38 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2p1i h ARG 278 CO -0.08 1.15 0.16 -0.07 0.56 0.00 0.00 179.97 181.69 2p1i h LEU 279 N 0.80 0.58 -0.37 3.04 3.38 -1.79 -2.33 115.31 118.62 2p1i h LEU 279 Ca 0.08 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2p1i h LEU 279 Cb 0.93 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2p1i h LEU 279 CO 0.09 0.60 -0.18 -0.03 0.09 0.00 0.00 178.44 179.01 2p1i h MET 280 N 0.53 -0.11 -0.76 1.13 4.05 -0.95 -2.13 114.93 116.69 2p1i h MET 280 Ca 0.14 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.71 2p1i h MET 280 Cb 0.20 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.98 2p1i h MET 280 CO -0.01 -0.07 0.51 1.03 0.23 0.00 0.00 176.91 178.60 2p1i h SER 281 N -0.11 0.42 0.84 1.39 0.87 -0.66 0.35 113.55 116.65 2p1i h SER 281 Ca 0.19 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.65 2p1i h SER 281 Cb 0.40 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2p1i h SER 281 CO -0.44 0.22 -0.56 -0.61 -0.53 0.00 0.00 176.83 174.90 2p1i h GLN 282 N 0.45 0.00 -0.37 2.24 4.15 -0.88 -2.88 115.11 117.82 2p1i h GLN 282 Ca 0.37 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.67 2p1i h GLN 282 Cb 0.82 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2p1i h GLN 282 CO -0.12 0.56 -0.27 -0.92 -1.93 0.00 0.00 178.83 176.15 2p1i h TYR 283 N 0.00 0.89 0.17 3.99 3.20 -0.33 -1.74 116.97 123.15 2p1i h TYR 283 Ca -0.01 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2p1i h TYR 283 Cb 1.14 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2p1i h TYR 283 CO 0.00 0.95 -0.08 0.82 -1.64 0.00 0.00 178.16 178.21 2p1i h ILE 284 N 0.66 0.94 -0.96 1.81 1.08 -1.14 0.55 117.51 120.46 2p1i h ILE 284 Ca 0.08 -0.62 0.10 0.00 -0.39 0.00 0.00 64.86 64.04 2p1i h ILE 284 Cb 0.79 1.31 -0.13 0.00 -3.07 0.00 0.00 36.82 35.72 2p1i h ILE 284 CO 0.07 0.14 -0.53 -0.33 -0.69 0.00 0.00 178.15 176.80 2p1i h GLU 285 N -0.54 -0.02 -0.43 2.37 4.39 -1.47 0.67 114.58 119.54 2p1i h GLU 285 Ca -0.02 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2p1i h GLU 285 Cb 0.41 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 2p1i h GLU 285 CO 0.04 -0.02 0.01 0.35 -1.16 0.00 0.00 179.01 178.24 2p1i h PHE 286 N -0.03 0.00 0.05 4.33 3.57 -0.98 0.29 116.94 124.18 2p1i h PHE 286 Ca 0.21 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2p1i h PHE 286 Cb 0.47 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2p1i h PHE 286 CO -0.97 -0.07 -0.02 0.28 -2.23 0.00 0.00 178.31 175.30 2p1i h VAL 287 N 0.13 0.99 -0.27 1.41 2.07 0.10 -1.32 116.25 119.36 2p1i h VAL 287 Ca 0.22 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.68 2p1i h VAL 287 Cb 0.31 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2p1i h VAL 287 CO -0.35 0.03 -0.23 0.00 0.02 0.00 0.00 177.57 177.04 2p1i h ALA 288 N 0.84 -0.09 -0.67 1.67 0.00 0.83 0.40 119.26 122.24 2p1i h ALA 288 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2p1i h ALA 288 Cb 0.10 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2p1i h ALA 288 CO 0.01 -0.65 0.38 -0.44 0.00 0.00 0.00 179.25 178.55 2p1i h ASP 289 N -0.23 0.58 -0.51 0.00 3.45 -0.17 0.22 116.42 119.75 2p1i h ASP 289 Ca 0.15 0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.65 2p1i h ASP 289 Cb 0.45 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 2p1i h ASP 289 CO -0.40 0.38 0.34 -0.09 -1.57 0.00 0.00 179.24 177.90 2p1i h ARG 290 N 0.71 0.60 0.28 3.56 2.43 -0.64 -1.29 114.38 120.04 2p1i h ARG 290 Ca 0.29 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2p1i h ARG 290 Cb 0.15 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2p1i h ARG 290 CO -0.17 0.40 -0.14 1.25 -1.51 0.00 0.00 179.97 179.81 2p1i h LEU 291 N 0.62 -0.32 -1.22 3.80 7.12 0.96 -1.54 115.31 124.73 2p1i h LEU 291 Ca 0.20 -0.09 0.16 0.00 0.13 0.00 0.00 57.88 58.28 2p1i h LEU 291 Cb 0.04 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.17 2p1i h LEU 291 CO -0.05 -0.10 0.60 -0.07 -0.13 0.00 0.00 178.44 178.69 2p1i h LEU 292 N -0.54 0.69 -0.79 2.25 -0.00 -0.35 0.31 115.31 116.89 2p1i h LEU 292 Ca -0.04 0.05 -0.12 0.00 -0.00 0.00 0.00 57.88 57.78 2p1i h LEU 292 Cb 0.40 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2p1i h LEU 292 CO 0.06 0.32 -0.36 -0.33 -0.00 0.00 0.00 178.44 178.13 2p1i h GLU 293 N 0.71 0.49 -0.02 1.13 5.08 -0.97 0.15 114.58 121.16 2p1i h GLU 293 Ca 0.49 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2p1i h GLU 293 Cb 0.80 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2p1i h GLU 293 CO -0.25 0.78 -0.28 0.00 -1.00 0.00 0.00 179.01 178.26 2p1i n LEU 295 N -4.20 0.74 -1.45 0.00 4.77 0.81 -4.83 117.00 112.84 2p1i n LEU 295 Ca -0.02 -0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.71 2p1i n LEU 295 Cb 0.33 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2p1i n LEU 295 CO 0.38 0.13 0.07 0.61 -1.33 0.00 0.00 177.39 177.24 2p1i n GLY 296 N 1.18 0.47 3.14 -0.72 0.00 -0.56 -4.97 105.19 103.74 2p1i n GLY 296 Ca 0.18 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.10 5.69 1.42 0.00 1.04 -1.26 -3.47 113.70 115.02 2p1i s SER 298 Ca -0.00 2.29 -0.23 0.00 0.48 0.00 0.00 55.95 58.49 2p1i s SER 298 Cb -0.06 -2.59 0.36 0.00 0.10 0.00 0.00 66.02 63.83 2p1i s SER 298 CO 0.00 -1.25 0.95 -0.54 0.98 0.00 0.00 173.24 173.38 2p1i s LYS 299 N -3.12 -2.93 0.00 4.02 1.02 -1.26 -4.89 119.74 112.57 2p1i s LYS 299 Ca 0.71 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.73 2p1i s LYS 299 Cb -0.28 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2p1i s LYS 299 CO 0.31 -4.85 0.00 0.28 -0.92 0.00 0.00 175.35 170.17 2p1i n VAL 300 N -5.60 0.00 -2.08 3.17 0.31 -1.26 -4.89 118.33 107.99 2p1i n VAL 300 Ca 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.50 2p1i n VAL 300 Cb 0.60 -0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.94 0.00 -0.38 3.52 -0.00 -1.26 -5.09 117.46 113.31 2p1i n PHE 301 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 57.45 56.94 2p1i n PHE 301 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 39.48 39.35 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 -0.07 0.00 -3.73 -5.13 8.25 -1.26 -4.89 115.22 108.40 2p1i n HIS 302 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 2p1i n HIS 302 Cb 0.89 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.85 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 0.08 1.27 0.41 1.04 -1.26 -5.10 113.70 110.14 2p1i s SER 303 Ca 0.00 0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.59 2p1i s SER 303 Cb 0.00 0.24 0.31 0.00 0.10 0.00 0.00 66.02 66.68 2p1i s SER 303 CO 0.00 -0.17 1.00 -0.54 0.98 0.00 0.00 173.24 174.51 2p1i s LYS 304 N 1.47 -1.76 -0.69 4.02 -0.14 -1.26 -4.53 119.74 116.85 2p1i s LYS 304 Ca -0.06 0.34 -0.27 0.00 -1.36 0.00 0.00 55.97 54.62 2p1i s LYS 304 Cb -0.12 -1.50 0.01 0.00 -1.68 0.00 0.00 37.83 34.55 2p1i s LYS 304 CO -0.06 -4.16 1.49 1.21 -0.76 0.00 0.00 175.35 173.07 2p1i s ASN 305 N -3.10 5.85 0.36 2.83 3.04 -1.26 -4.86 114.94 117.80 2p1i s ASN 305 Ca 0.69 -0.14 0.04 0.00 0.04 0.00 0.00 52.86 53.49 2p1i s ASN 305 Cb -0.17 -2.55 0.67 0.00 -1.54 0.00 0.00 41.25 37.66 2p1i s ASN 305 CO 0.60 -2.02 1.98 -0.65 -3.04 0.00 0.00 177.10 173.97 2p1i h PRO 306 N 11.80 0.68 -4.73 0.43 0.11 -1.89 -3.38 132.00 135.01 2p1i h PRO 306 Ca -0.27 -0.07 -0.64 0.00 0.11 0.00 0.00 66.00 65.13 2p1i h PRO 306 Cb 1.09 -0.14 -0.37 0.00 0.11 0.00 0.00 31.00 31.70 2p1i h PRO 306 CO 1.25 0.51 -0.82 -0.06 -0.21 0.00 0.00 178.00 178.68 2p1i s PHE 307 N -5.45 2.67 0.28 0.65 0.08 -1.26 -4.98 117.98 109.97 2p1i s PHE 307 Ca -0.09 -1.76 0.07 0.00 0.12 0.00 0.00 56.93 55.27 2p1i s PHE 307 Cb 0.17 -1.75 0.40 0.00 -0.57 0.00 0.00 43.02 41.26 2p1i s PHE 307 CO 0.76 -0.78 1.65 -2.95 -0.10 0.00 0.00 175.22 173.80 2p1i h ASN 308 N 7.92 0.21 0.00 1.36 7.08 -2.02 -3.54 115.58 126.59 2p1i h ASN 308 Ca -0.29 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 52.83 2p1i h ASN 308 Cb 1.09 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 37.28 2p1i h ASN 308 CO 0.50 0.67 0.00 -2.67 -2.08 0.00 0.00 177.43 173.85