#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p91 h LEU 18 N 0.00 0.00 -3.31 0.99 4.07 -1.91 -2.78 115.31 112.36 2p91 h LEU 18 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2p91 h LEU 18 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 2p91 h LEU 18 CO 0.00 0.08 -0.04 0.18 -1.08 0.00 0.00 178.44 177.58 2p91 n LEU 19 N -3.53 4.00 -4.66 1.67 4.77 -0.46 -4.68 117.00 114.11 2p91 n LEU 19 Ca -0.02 -3.49 -0.47 0.00 -0.03 0.00 0.00 56.01 52.00 2p91 n LEU 19 Cb 0.21 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 2p91 n LEU 19 CO 0.28 1.04 1.15 -0.62 -1.33 0.00 0.00 177.39 177.91 2p91 n GLU 20 N -0.94 1.98 -1.05 3.23 -0.58 -1.05 -1.61 120.64 120.61 2p91 n GLU 20 Ca 0.29 0.71 -0.02 0.00 -0.42 0.00 0.00 57.16 57.73 2p91 n GLU 20 Cb 0.98 -2.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 2p91 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p91 n GLY 21 N 3.29 0.46 3.87 0.62 0.00 -1.24 -4.98 105.19 107.21 2p91 n GLY 21 Ca 0.17 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2p91 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p91 s LYS 22 N -1.20 3.62 -0.20 1.61 -0.14 -0.63 -4.98 119.74 117.82 2p91 s LYS 22 Ca 0.00 0.02 -0.03 0.00 -1.36 0.00 0.00 55.97 54.60 2p91 s LYS 22 Cb 0.00 -3.13 -0.01 0.00 -1.68 0.00 0.00 37.83 33.01 2p91 s LYS 22 CO 0.00 0.68 -0.05 1.03 -0.76 0.00 0.00 175.35 176.25 2p91 s ARG 23 N -1.47 3.44 -0.09 1.68 0.52 -1.26 -0.77 118.95 121.00 2p91 s ARG 23 Ca 0.24 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2p91 s ARG 23 Cb -0.14 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.39 2p91 s ARG 23 CO 0.13 -0.06 -0.20 0.00 0.02 0.00 0.00 175.30 175.19 2p91 s ALA 24 N 1.11 1.88 -0.16 2.13 0.00 -0.40 -1.06 121.76 125.26 2p91 s ALA 24 Ca 0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 2p91 s ALA 24 Cb -0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2p91 s ALA 24 CO -0.00 0.19 0.63 -1.17 0.00 0.00 0.00 175.76 175.41 2p91 s LEU 25 N 0.51 4.19 -0.31 0.00 2.96 -0.05 -1.76 118.68 124.22 2p91 s LEU 25 Ca -0.16 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2p91 s LEU 25 Cb -0.17 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.62 2p91 s LEU 25 CO 0.06 -0.22 0.10 -0.63 -1.32 0.00 0.00 176.35 174.34 2p91 s ILE 26 N 1.58 4.07 0.21 6.68 -1.09 0.11 -0.56 121.20 132.20 2p91 s ILE 26 Ca 0.30 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 2p91 s ILE 26 Cb -0.16 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 2p91 s ILE 26 CO 0.12 0.00 0.36 0.42 -1.23 0.00 0.00 174.94 174.61 2p91 s THR 27 N 1.50 5.25 0.00 2.92 -4.23 -0.82 -2.09 115.64 118.18 2p91 s THR 27 Ca 0.02 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2p91 s THR 27 Cb -0.18 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2p91 s THR 27 CO 0.03 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2p91 n GLY 28 N -0.95 0.70 3.68 3.99 0.00 -1.25 -3.98 105.19 107.37 2p91 n GLY 28 Ca -0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2p91 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p91 s VAL 29 N -2.00 4.78 -0.10 1.61 1.01 -1.26 -4.54 120.40 119.90 2p91 s VAL 29 Ca 0.00 1.94 0.01 0.00 0.00 0.00 0.00 61.98 63.94 2p91 s VAL 29 Cb 0.00 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2p91 s VAL 29 CO 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 175.10 174.98 2p91 n ALA 30 N 5.42 1.79 -3.00 5.51 0.00 -1.26 -4.79 120.51 124.17 2p91 n ALA 30 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2p91 n ALA 30 Cb 0.48 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2p91 n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2p91 n ASN 31 N -2.74 0.00 0.00 0.00 0.23 -1.26 -4.72 115.26 106.76 2p91 n ASN 31 Ca -0.17 -0.66 0.14 0.00 -0.53 0.00 0.00 54.58 53.37 2p91 n ASN 31 Cb 0.69 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.11 2p91 n ASN 31 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2p91 n GLU 32 N 0.00 0.37 0.00 -3.83 4.71 -1.26 -2.60 120.64 118.04 2p91 n GLU 32 Ca 0.00 0.01 0.11 0.00 -0.01 0.00 0.00 57.16 57.27 2p91 n GLU 32 Cb 0.00 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 28.91 2p91 n GLU 32 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2p91 n ARG 33 N -1.31 0.07 -1.78 3.49 5.12 -1.26 -4.79 116.66 116.21 2p91 n ARG 33 Ca 0.13 -0.01 -0.40 0.00 -1.93 0.00 0.00 57.85 55.64 2p91 n ARG 33 Cb 0.24 -1.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.05 2p91 n ARG 33 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2p91 s SER 34 N -3.20 5.93 0.29 0.55 0.01 -1.07 -4.68 113.70 111.54 2p91 s SER 34 Ca 0.07 2.97 0.01 0.00 1.31 0.00 0.00 55.95 60.31 2p91 s SER 34 Cb 0.16 -2.66 0.52 0.00 0.21 0.00 0.00 66.02 64.25 2p91 s SER 34 CO 0.82 -1.14 1.89 0.40 0.41 0.00 0.00 173.24 175.62 2p91 h ILE 35 N 2.42 1.03 0.00 1.44 2.04 -1.91 -1.57 117.51 120.97 2p91 h ILE 35 Ca -0.51 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2p91 h ILE 35 Cb 1.26 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2p91 h ILE 35 CO 0.62 0.19 -0.13 0.00 0.00 0.00 0.00 178.15 178.83 2p91 h ALA 36 N 1.51 1.76 -0.38 1.87 0.00 -1.86 -1.74 119.26 120.42 2p91 h ALA 36 Ca 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2p91 h ALA 36 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2p91 h ALA 36 CO -0.18 0.16 0.06 -0.92 0.00 0.00 0.00 179.25 178.37 2p91 h TYR 37 N 0.00 0.67 -0.63 0.00 3.20 -1.55 0.46 116.97 119.12 2p91 h TYR 37 Ca -0.00 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.84 2p91 h TYR 37 Cb 0.23 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 2p91 h TYR 37 CO 0.00 0.68 0.33 0.78 -1.64 0.00 0.00 178.16 178.31 2p91 h GLY 38 N 0.47 0.92 0.91 1.82 0.00 -1.19 0.52 103.07 106.52 2p91 h GLY 38 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2p91 h GLY 38 CO 0.01 0.11 0.10 -2.22 0.00 0.00 0.00 176.54 174.54 2p91 h ILE 39 N 0.60 1.14 -0.54 2.60 2.04 -1.13 -1.83 117.51 120.39 2p91 h ILE 39 Ca 0.29 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2p91 h ILE 39 Cb 0.22 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2p91 h ILE 39 CO -0.20 0.14 0.22 0.00 0.00 0.00 0.00 178.15 178.31 2p91 h ALA 40 N 0.95 0.68 0.15 1.87 0.00 -0.59 -0.33 119.26 122.00 2p91 h ALA 40 Ca 0.07 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2p91 h ALA 40 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2p91 h ALA 40 CO -0.01 -0.16 -0.20 -0.22 0.00 0.00 0.00 179.25 178.66 2p91 h LYS 41 N 0.42 -0.39 -0.93 0.00 3.64 -0.71 0.17 116.57 118.77 2p91 h LYS 41 Ca 0.26 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2p91 h LYS 41 Cb 0.25 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2p91 h LYS 41 CO -0.24 -0.26 0.60 0.77 -2.27 0.00 0.00 179.45 178.06 2p91 h SER 42 N -0.40 1.08 -0.53 4.20 0.02 -1.17 -1.71 113.55 115.04 2p91 h SER 42 Ca 0.01 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2p91 h SER 42 Cb 0.40 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2p91 h SER 42 CO -0.08 0.79 0.13 -0.26 -1.14 0.00 0.00 176.83 176.27 2p91 h PHE 43 N 1.26 0.88 0.25 3.45 -1.00 -0.74 -1.76 116.94 119.28 2p91 h PHE 43 Ca 0.34 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 2p91 h PHE 43 Cb -0.12 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.19 2p91 h PHE 43 CO -0.00 0.78 -0.12 1.25 -1.61 0.00 0.00 178.31 178.60 2p91 h HIS 44 N 0.73 -0.31 -0.92 -0.55 2.76 -0.49 -1.00 115.15 115.37 2p91 h HIS 44 Ca 0.16 -0.01 0.23 0.00 -2.20 0.00 0.00 60.37 58.56 2p91 h HIS 44 Cb 0.34 0.10 -0.13 0.00 1.55 0.00 0.00 27.41 29.27 2p91 h HIS 44 CO 0.02 -0.15 0.43 -0.09 -1.30 0.00 0.00 177.93 176.84 2p91 h ARG 45 N -0.39 0.40 -0.37 5.26 2.43 -1.22 -1.18 114.38 119.32 2p91 h ARG 45 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2p91 h ARG 45 Cb 0.29 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2p91 h ARG 45 CO 0.06 0.26 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 2p91 n GLU 46 N -5.03 1.85 -0.25 0.20 -0.58 -0.67 -4.49 120.64 111.67 2p91 n GLU 46 Ca 0.24 -1.30 0.00 0.00 -0.42 0.00 0.00 57.16 55.67 2p91 n GLU 46 Cb 0.70 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 2p91 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p91 n GLY 47 N 1.07 0.78 3.77 0.62 0.00 -0.45 -1.35 105.19 109.63 2p91 n GLY 47 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2p91 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p91 s ALA 48 N -2.18 3.23 0.14 4.61 0.00 -0.43 -3.71 121.76 123.42 2p91 s ALA 48 Ca 0.00 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 2p91 s ALA 48 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 2p91 s ALA 48 CO 0.00 -0.56 0.74 -0.65 0.00 0.00 0.00 175.76 175.29 2p91 s GLN 49 N -2.15 4.50 0.07 0.00 -0.21 0.05 -4.54 119.66 117.38 2p91 s GLN 49 Ca 0.55 1.08 0.10 0.00 0.02 0.00 0.00 55.36 57.10 2p91 s GLN 49 Cb -0.33 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 2p91 s GLN 49 CO 0.42 0.55 -0.26 -0.51 -2.12 0.00 0.00 175.29 173.37 2p91 s LEU 50 N -1.02 2.21 0.05 2.90 1.43 -1.26 -1.27 118.68 121.72 2p91 s LEU 50 Ca 0.35 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 2p91 s LEU 50 Cb -0.22 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2p91 s LEU 50 CO 0.25 0.23 -0.15 0.00 0.23 0.00 0.00 176.35 176.91 2p91 s ALA 51 N -0.88 1.21 0.01 4.21 0.00 -0.73 -4.54 121.76 121.04 2p91 s ALA 51 Ca 0.12 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2p91 s ALA 51 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2p91 s ALA 51 CO 0.03 0.21 -0.18 -0.06 0.00 0.00 0.00 175.76 175.76 2p91 s PHE 52 N -0.99 1.62 0.21 0.00 0.08 0.22 0.05 117.98 119.17 2p91 s PHE 52 Ca 0.01 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 2p91 s PHE 52 Cb -0.09 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 2p91 s PHE 52 CO 0.02 0.01 0.42 0.95 -0.10 0.00 0.00 175.22 176.51 2p91 s THR 53 N -0.55 5.17 -0.01 0.64 -4.23 -0.89 -1.31 115.64 114.45 2p91 s THR 53 Ca 0.06 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 2p91 s THR 53 Cb -0.07 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 2p91 s THR 53 CO 0.00 -0.19 -0.17 -0.72 -0.54 0.00 0.00 174.62 173.01 2p91 s TYR 54 N -1.89 1.51 0.11 3.99 -0.85 -0.44 -4.46 117.35 115.31 2p91 s TYR 54 Ca 0.40 -0.29 -0.08 0.00 -0.52 0.00 0.00 57.07 56.57 2p91 s TYR 54 Cb -0.11 -0.97 -0.15 0.00 0.38 0.00 0.00 41.96 41.11 2p91 s TYR 54 CO 0.29 -0.02 1.26 0.00 -1.52 0.00 0.00 175.55 175.55 2p91 h ALA 55 N 5.70 0.27 -3.13 9.51 0.00 -1.87 -0.56 119.26 129.17 2p91 h ALA 55 Ca -0.36 -0.70 -0.24 0.00 0.00 0.00 0.00 54.91 53.60 2p91 h ALA 55 Cb 1.15 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 2p91 h ALA 55 CO 0.48 0.76 -0.72 0.95 0.00 0.00 0.00 179.25 180.72 2p91 s THR 56 N -3.30 0.40 0.52 0.00 -4.23 -1.26 -4.14 115.64 103.63 2p91 s THR 56 Ca -0.07 -1.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.71 2p91 s THR 56 Cb 0.08 -0.49 0.44 0.00 1.34 0.00 0.00 72.50 73.87 2p91 s THR 56 CO 0.89 -0.41 1.93 -0.65 -0.54 0.00 0.00 174.62 175.84 2p91 h PRO 57 N 4.59 0.06 0.00 3.99 0.11 -2.02 -0.51 132.00 138.21 2p91 h PRO 57 Ca -0.34 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2p91 h PRO 57 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2p91 h PRO 57 CO 0.41 0.04 -0.13 -0.22 -0.21 0.00 0.00 178.00 177.89 2p91 h LYS 58 N 0.06 0.00 0.00 1.05 3.64 -2.00 -2.76 116.57 116.56 2p91 h LYS 58 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2p91 h LYS 58 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2p91 h LYS 58 CO -0.03 0.13 -0.20 1.28 -2.27 0.00 0.00 179.45 178.36 2p91 n LEU 59 N -4.29 0.36 -0.16 5.20 4.77 -0.20 -4.40 117.00 118.29 2p91 n LEU 59 Ca -0.03 0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 2p91 n LEU 59 Cb 0.20 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2p91 n LEU 59 CO 0.35 -0.01 0.69 -0.08 -1.33 0.00 0.00 177.39 177.01 2p91 h GLU 60 N 0.00 -0.13 0.29 3.23 4.81 -1.56 -1.80 114.58 119.43 2p91 h GLU 60 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2p91 h GLU 60 Cb 0.58 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2p91 h GLU 60 CO 0.00 -0.09 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.66 2p91 h LYS 61 N -0.13 -0.62 -0.08 1.92 3.64 -1.82 -0.42 116.57 119.05 2p91 h LYS 61 Ca 0.22 0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.51 2p91 h LYS 61 Cb 0.49 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2p91 h LYS 61 CO -0.57 -0.42 -0.57 0.07 -2.27 0.00 0.00 179.45 175.69 2p91 h ARG 62 N -0.65 0.26 -0.64 1.90 0.11 -1.79 -1.07 114.38 112.51 2p91 h ARG 62 Ca -0.01 -0.17 -0.09 0.00 0.10 0.00 0.00 59.98 59.81 2p91 h ARG 62 Cb 0.60 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.68 2p91 h ARG 62 CO -0.07 0.76 0.06 0.28 0.10 0.00 0.00 179.97 181.10 2p91 h VAL 63 N 0.20 1.26 -0.58 0.08 2.07 -1.24 0.75 116.25 118.79 2p91 h VAL 63 Ca -0.00 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 2p91 h VAL 63 Cb 1.07 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2p91 h VAL 63 CO 0.09 0.40 0.22 0.03 0.02 0.00 0.00 177.57 178.33 2p91 h ARG 64 N 0.99 0.89 -0.89 1.57 3.08 -0.81 -0.20 114.38 119.02 2p91 h ARG 64 Ca 0.19 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2p91 h ARG 64 Cb 0.49 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2p91 h ARG 64 CO 0.02 0.77 0.49 0.93 -1.07 0.00 0.00 179.97 181.11 2p91 h GLU 65 N 0.81 1.24 -0.22 0.04 5.08 -0.99 -1.08 114.58 119.46 2p91 h GLU 65 Ca 0.19 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2p91 h GLU 65 Cb 0.23 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2p91 h GLU 65 CO -0.01 0.91 0.02 0.82 -1.00 0.00 0.00 179.01 179.75 2p91 h ILE 66 N 1.24 1.24 -0.46 3.13 2.04 -0.55 -2.25 117.51 121.91 2p91 h ILE 66 Ca 0.31 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.41 2p91 h ILE 66 Cb 0.03 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 2p91 h ILE 66 CO -0.05 0.25 0.19 0.00 0.00 0.00 0.00 178.15 178.54 2p91 h ALA 67 N 0.82 0.56 -0.48 1.87 0.00 -0.90 -2.59 119.26 118.54 2p91 h ALA 67 Ca 0.06 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2p91 h ALA 67 Cb 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2p91 h ALA 67 CO 0.01 -0.19 0.15 -0.22 0.00 0.00 0.00 179.25 179.00 2p91 h LYS 68 N 0.38 0.30 -0.38 0.00 3.64 -1.09 0.51 116.57 119.93 2p91 h LYS 68 Ca 0.21 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.68 2p91 h LYS 68 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2p91 h LYS 68 CO -0.19 0.20 0.40 0.78 -2.27 0.00 0.00 179.45 178.37 2p91 h GLY 69 N 0.31 0.00 -2.05 5.01 0.00 -1.01 0.11 103.07 105.43 2p91 h GLY 69 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2p91 h GLY 69 CO -0.26 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.97 2p91 n PHE 70 N -3.76 0.36 -0.98 5.60 3.72 -0.23 -4.95 117.46 117.21 2p91 n PHE 70 Ca 0.07 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2p91 n PHE 70 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2p91 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p91 n GLY 71 N 1.44 0.40 3.72 1.37 0.00 0.37 -4.96 105.19 107.54 2p91 n GLY 71 Ca 0.18 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 2p91 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p91 s SER 72 N -2.89 5.60 0.00 1.61 0.15 0.00 -4.98 113.70 113.20 2p91 s SER 72 Ca 0.00 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.01 2p91 s SER 72 Cb 0.00 -1.72 0.39 0.00 -1.71 0.00 0.00 66.02 62.98 2p91 s SER 72 CO 0.00 0.35 1.32 -0.90 1.20 0.00 0.00 173.24 175.21 2p91 n ASP 73 N 2.35 3.19 -4.22 5.45 5.68 -1.26 -2.98 116.55 124.75 2p91 n ASP 73 Ca -0.19 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 51.70 2p91 n ASP 73 Cb 0.54 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 40.14 2p91 n ASP 73 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2p91 s LEU 74 N -1.01 5.78 -0.02 -2.12 1.43 -1.26 -5.01 118.68 116.48 2p91 s LEU 74 Ca 0.30 -2.04 0.01 0.00 -1.03 0.00 0.00 54.13 51.37 2p91 s LEU 74 Cb 0.16 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2p91 s LEU 74 CO 0.21 -0.67 -0.01 -0.69 0.23 0.00 0.00 176.35 175.41 2p91 s VAL 75 N 1.18 0.16 -0.07 -1.59 1.01 -1.26 -0.61 120.40 119.22 2p91 s VAL 75 Ca 0.07 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 2p91 s VAL 75 Cb -0.25 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2p91 s VAL 75 CO -0.01 0.10 0.25 0.54 0.00 0.00 0.00 175.10 175.97 2p91 s VAL 76 N 0.54 0.02 0.16 2.92 0.11 -0.43 -4.98 120.40 118.74 2p91 s VAL 76 Ca -0.05 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 2p91 s VAL 76 Cb -0.08 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.29 2p91 s VAL 76 CO -0.01 -0.08 1.25 -0.75 -3.33 0.00 0.00 175.10 172.18 2p91 s LYS 77 N -0.24 4.43 -0.26 1.54 2.36 -1.26 -1.33 119.74 124.99 2p91 s LYS 77 Ca -0.04 1.93 -0.01 0.00 -2.55 0.00 0.00 55.97 55.31 2p91 s LYS 77 Cb -0.03 -3.24 0.14 0.00 -1.05 0.00 0.00 37.83 33.65 2p91 s LYS 77 CO 0.01 -0.20 0.37 0.00 1.55 0.00 0.00 175.35 177.08 2p91 s ASP 79 N 2.52 6.30 0.00 0.00 -1.08 -1.26 -4.23 116.67 118.92 2p91 s ASP 79 Ca 0.11 -0.50 0.13 0.00 -0.52 0.00 0.00 52.55 51.78 2p91 s ASP 79 Cb -0.14 -2.32 0.56 0.00 -1.46 0.00 0.00 42.92 39.56 2p91 s ASP 79 CO -0.21 -0.85 1.41 1.33 0.52 0.00 0.00 175.17 177.36 2p91 n VAL 80 N 5.82 1.07 0.45 1.11 0.24 -1.26 -1.07 118.33 124.69 2p91 n VAL 80 Ca -0.03 0.27 0.10 0.00 -2.04 0.00 0.00 64.34 62.64 2p91 n VAL 80 Cb 0.47 -1.05 0.42 0.00 -1.47 0.00 0.00 33.84 32.22 2p91 n VAL 80 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2p91 n SER 81 N -1.48 0.40 -4.35 -1.34 3.41 -1.26 -4.71 113.62 104.30 2p91 n SER 81 Ca 0.03 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.89 2p91 n SER 81 Cb 0.15 -0.68 -0.14 0.00 -0.26 0.00 0.00 64.21 63.28 2p91 n SER 81 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p91 s LEU 82 N -3.89 3.05 0.32 1.04 1.43 -0.23 -4.99 118.68 115.41 2p91 s LEU 82 Ca 0.06 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2p91 s LEU 82 Cb 0.10 -1.79 0.67 0.00 0.03 0.00 0.00 46.19 45.20 2p91 s LEU 82 CO 0.35 -0.03 1.86 0.44 0.23 0.00 0.00 176.35 179.20 2p91 h ASP 83 N 8.15 0.80 0.02 2.29 3.32 -1.85 -2.38 116.42 126.77 2p91 h ASP 83 Ca -0.41 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.57 2p91 h ASP 83 Cb 1.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2p91 h ASP 83 CO 0.60 0.42 -0.38 -0.08 -1.72 0.00 0.00 179.24 178.08 2p91 h GLU 84 N 0.86 0.48 -0.37 3.56 4.57 -1.94 -1.51 114.58 120.23 2p91 h GLU 84 Ca 0.47 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 58.33 2p91 h GLU 84 Cb 0.58 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2p91 h GLU 84 CO -0.23 0.79 -0.14 -0.44 -1.18 0.00 0.00 179.01 177.80 2p91 h ASP 85 N 0.40 0.66 -0.15 1.04 5.19 -1.71 0.52 116.42 122.37 2p91 h ASP 85 Ca 0.04 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.20 2p91 h ASP 85 Cb 0.85 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 2p91 h ASP 85 CO 0.07 0.82 -0.12 0.40 -3.12 0.00 0.00 179.24 177.28 2p91 h ILE 86 N 0.60 1.34 -0.54 0.35 1.08 -1.23 -0.73 117.51 118.38 2p91 h ILE 86 Ca 0.10 -1.25 0.07 0.00 -0.39 0.00 0.00 64.86 63.38 2p91 h ILE 86 Cb 0.59 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 2p91 h ILE 86 CO 0.04 0.37 0.23 0.50 -0.69 0.00 0.00 178.15 178.60 2p91 h LYS 87 N -0.01 0.42 -0.01 2.37 3.64 -1.22 -2.10 116.57 119.66 2p91 h LYS 87 Ca 0.03 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2p91 h LYS 87 Cb 0.64 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2p91 h LYS 87 CO 0.03 0.28 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.20 2p91 h ASN 88 N 0.44 0.01 -0.24 4.20 2.35 -0.83 -1.60 115.58 119.91 2p91 h ASN 88 Ca 0.26 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2p91 h ASN 88 Cb 0.25 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2p91 h ASN 88 CO -0.23 0.40 0.13 0.25 -1.65 0.00 0.00 177.43 176.33 2p91 h LEU 89 N 0.01 0.29 -0.29 1.61 5.85 -0.80 0.55 115.31 122.54 2p91 h LEU 89 Ca -0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2p91 h LEU 89 Cb 0.69 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2p91 h LEU 89 CO 0.05 0.29 0.12 0.50 -0.34 0.00 0.00 178.44 179.06 2p91 h LYS 90 N 0.27 0.26 -0.64 1.25 3.64 -1.01 -1.25 116.57 119.09 2p91 h LYS 90 Ca 0.08 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2p91 h LYS 90 Cb 0.06 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2p91 h LYS 90 CO -0.01 0.17 0.36 0.87 -2.27 0.00 0.00 179.45 178.57 2p91 h LYS 91 N 0.26 0.66 -0.21 1.90 1.57 -1.15 0.10 116.57 119.70 2p91 h LYS 91 Ca 0.12 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2p91 h LYS 91 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2p91 h LYS 91 CO -0.11 0.44 0.08 0.35 -0.57 0.00 0.00 179.45 179.64 2p91 h PHE 92 N 0.68 0.14 -0.17 -1.35 3.57 -0.57 -2.19 116.94 117.05 2p91 h PHE 92 Ca 0.28 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 2p91 h PHE 92 Cb 0.14 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2p91 h PHE 92 CO -0.07 0.07 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.59 2p91 h LEU 93 N 0.18 0.41 -1.23 0.59 3.38 -0.93 -2.01 115.31 115.71 2p91 h LEU 93 Ca 0.09 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2p91 h LEU 93 Cb 0.06 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2p91 h LEU 93 CO -0.09 0.78 0.53 -0.33 0.09 0.00 0.00 178.44 179.41 2p91 h GLU 94 N 0.32 1.02 0.04 1.13 5.08 -0.67 0.44 114.58 121.93 2p91 h GLU 94 Ca 0.03 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 2p91 h GLU 94 Cb 0.86 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2p91 h GLU 94 CO 0.07 0.68 -1.10 0.93 -1.00 0.00 0.00 179.01 178.59 2p91 h GLU 95 N 1.05 0.08 0.00 2.33 5.08 -1.11 -3.15 114.58 118.86 2p91 h GLU 95 Ca 0.30 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2p91 h GLU 95 Cb -0.08 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2p91 h GLU 95 CO -0.07 1.05 -1.39 0.09 -1.00 0.00 0.00 179.01 177.69 2p91 n ASN 96 N -3.40 0.89 0.01 1.42 3.02 -0.78 -4.82 115.26 111.60 2p91 n ASN 96 Ca -0.03 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 2p91 n ASN 96 Cb 0.97 1.47 0.00 0.00 -0.61 0.00 0.00 39.78 41.61 2p91 n ASN 96 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2p91 n TRP 97 N -1.81 -0.10 -0.84 3.10 8.01 -0.15 -5.04 117.44 120.61 2p91 n TRP 97 Ca -0.00 0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 2p91 n TRP 97 Cb 0.38 0.41 0.00 0.00 -2.01 0.00 0.00 31.31 30.09 2p91 n TRP 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2p91 n GLY 98 N 1.79 0.62 3.43 6.99 0.00 -0.04 -4.93 105.19 113.05 2p91 n GLY 98 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2p91 n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p91 s SER 99 N -2.59 -0.54 -0.08 1.61 1.04 -1.26 -4.96 113.70 106.93 2p91 s SER 99 Ca 0.00 0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 2p91 s SER 99 Cb 0.00 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2p91 s SER 99 CO 0.00 -0.85 0.22 -0.22 0.98 0.00 0.00 173.24 173.37 2p91 s LEU 100 N -2.32 1.15 -0.19 2.42 2.96 -0.22 -4.93 118.68 117.56 2p91 s LEU 100 Ca -0.02 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2p91 s LEU 100 Cb -0.01 0.79 -0.12 0.00 0.50 0.00 0.00 46.19 47.35 2p91 s LEU 100 CO -0.07 -0.11 -0.17 0.47 -1.32 0.00 0.00 176.35 175.15 2p91 n ASP 101 N 2.79 2.45 -3.96 3.68 8.00 -0.22 -4.01 116.55 125.27 2p91 n ASP 101 Ca -0.14 -0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.11 2p91 n ASP 101 Cb 0.58 -0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.21 2p91 n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2p91 s ILE 102 N -2.37 0.58 -0.17 0.53 1.01 -0.48 -1.03 121.20 119.27 2p91 s ILE 102 Ca -0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2p91 s ILE 102 Cb 0.07 -0.53 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 2p91 s ILE 102 CO 0.43 0.19 -0.13 -0.63 0.00 0.00 0.00 174.94 174.79 2p91 s ILE 103 N 0.19 2.76 -0.39 2.92 1.01 -0.86 -0.87 121.20 125.96 2p91 s ILE 103 Ca -0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 2p91 s ILE 103 Cb -0.07 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.23 2p91 s ILE 103 CO -0.00 0.50 0.27 -0.69 0.00 0.00 0.00 174.94 175.02 2p91 s VAL 104 N 0.97 5.16 -0.50 2.92 1.01 0.27 -1.24 120.40 129.01 2p91 s VAL 104 Ca -0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2p91 s VAL 104 Cb -0.15 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.50 2p91 s VAL 104 CO -0.02 -0.23 0.45 -2.28 0.00 0.00 0.00 175.10 173.02 2p91 s HIS 105 N 1.67 3.23 -0.55 5.22 5.04 0.55 -1.94 115.29 128.51 2p91 s HIS 105 Ca 0.05 -1.02 0.07 0.00 -1.54 0.00 0.00 55.06 52.61 2p91 s HIS 105 Cb -0.19 -3.42 0.26 0.00 0.04 0.00 0.00 32.58 29.27 2p91 s HIS 105 CO 0.10 -0.90 0.69 0.45 -2.34 0.00 0.00 174.74 172.74 2p91 n SER 106 N 5.31 2.61 -3.81 9.88 2.88 -1.26 -2.73 113.62 126.50 2p91 n SER 106 Ca -0.13 -3.22 -0.24 0.00 -1.33 0.00 0.00 58.87 53.96 2p91 n SER 106 Cb 0.43 -0.65 -0.17 0.00 -0.75 0.00 0.00 64.21 63.06 2p91 n SER 106 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2p91 s ILE 107 N -2.25 0.55 -0.21 2.46 1.01 -1.26 -3.92 121.20 117.58 2p91 s ILE 107 Ca 0.39 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 2p91 s ILE 107 Cb 0.18 -0.67 0.07 0.00 0.01 0.00 0.00 42.46 42.04 2p91 s ILE 107 CO -0.05 0.29 0.51 0.00 0.00 0.00 0.00 174.94 175.68 2p91 s ALA 108 N 1.89 -1.34 -0.18 9.38 0.00 -1.26 -4.45 121.76 125.79 2p91 s ALA 108 Ca 0.05 1.84 -0.21 0.00 0.00 0.00 0.00 51.96 53.63 2p91 s ALA 108 Cb -0.12 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 21.93 2p91 s ALA 108 CO -0.06 -0.33 0.57 -0.47 0.00 0.00 0.00 175.76 175.47 2p91 s TYR 109 N 1.55 -0.61 0.02 0.00 5.04 -1.26 -5.00 117.35 117.09 2p91 s TYR 109 Ca -0.09 1.41 -0.01 0.00 -2.44 0.00 0.00 57.07 55.93 2p91 s TYR 109 Cb -0.07 0.23 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 2p91 s TYR 109 CO -0.15 -0.35 -0.00 0.00 -1.34 0.00 0.00 175.55 173.70 2p91 s ALA 110 N -0.00 0.08 0.37 3.97 0.00 -1.26 -4.03 121.76 120.90 2p91 s ALA 110 Ca -0.02 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 2p91 s ALA 110 Cb -0.04 0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 2p91 s ALA 110 CO 0.02 -0.19 1.15 -2.30 0.00 0.00 0.00 175.76 174.44 2p91 n PRO 111 N 1.44 1.70 0.29 0.00 -0.02 -1.26 -4.83 135.00 132.32 2p91 n PRO 111 Ca -0.23 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 2p91 n PRO 111 Cb 0.56 -2.16 0.86 0.00 -0.02 0.00 0.00 33.50 32.73 2p91 n PRO 111 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2p91 h LYS 112 N 2.03 0.00 -0.15 -0.52 2.10 -2.01 -1.11 116.57 116.90 2p91 h LYS 112 Ca -0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.19 2p91 h LYS 112 Cb 1.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 2p91 h LYS 112 CO 0.60 0.03 0.02 0.93 -2.00 0.00 0.00 179.45 179.02 2p91 h GLU 113 N 0.00 0.21 0.00 0.07 3.07 -2.03 -2.44 114.58 113.46 2p91 h GLU 113 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2p91 h GLU 113 Cb 0.07 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2p91 h GLU 113 CO 0.00 0.22 0.00 0.93 -1.40 0.00 0.00 179.01 178.77 2p91 h GLU 114 N 0.21 0.00 -0.01 2.33 4.39 -1.54 -1.80 114.58 118.16 2p91 h GLU 114 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2p91 h GLU 114 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2p91 h GLU 114 CO 0.00 0.00 -0.24 1.19 -1.16 0.00 0.00 179.01 178.80 2p91 n PHE 115 N -2.95 0.00 -0.04 4.33 3.72 -0.92 -4.56 117.46 117.04 2p91 n PHE 115 Ca -0.01 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 2p91 n PHE 115 Cb 0.19 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 2p91 n PHE 115 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2p91 h LYS 116 N 0.95 0.78 0.00 -1.08 1.57 -1.46 -3.43 116.57 113.91 2p91 h LYS 116 Ca 0.00 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2p91 h LYS 116 Cb 0.48 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2p91 h LYS 116 CO 0.00 1.20 0.00 0.41 -0.57 0.00 0.00 179.45 180.49 2p91 n GLY 117 N 0.60 1.32 3.85 3.86 0.00 -1.26 -5.04 105.19 108.52 2p91 n GLY 117 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2p91 n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p91 s GLY 118 N 0.00 2.46 0.45 -0.02 0.00 -1.26 -4.40 107.32 104.56 2p91 s GLY 118 Ca 0.00 -1.28 0.18 0.00 0.00 0.00 0.00 44.72 43.63 2p91 s GLY 118 CO 0.00 -1.96 1.94 -2.08 0.00 0.00 0.00 173.10 171.00 2p91 h VAL 119 N 0.97 0.78 -0.20 1.40 2.07 -1.92 -1.35 116.25 118.01 2p91 h VAL 119 Ca -0.39 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2p91 h VAL 119 Cb 1.29 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2p91 h VAL 119 CO 0.62 0.06 0.20 -0.29 0.02 0.00 0.00 177.57 178.18 2p91 h ILE 120 N 0.31 0.51 -0.07 4.57 2.10 -1.98 -1.28 117.51 121.67 2p91 h ILE 120 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.28 2p91 h ILE 120 Cb 0.89 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 2p91 h ILE 120 CO -0.09 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.45 2p91 n ASP 121 N -3.88 2.08 -4.69 2.19 8.00 -0.51 -4.96 116.55 114.78 2p91 n ASP 121 Ca 0.02 -1.70 -0.44 0.00 0.71 0.00 0.00 54.79 53.37 2p91 n ASP 121 Cb 0.33 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 2p91 n ASP 121 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2p91 n THR 122 N 0.62 0.10 -2.84 -3.53 -1.04 -0.49 -4.99 114.28 102.10 2p91 n THR 122 Ca 0.17 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.83 2p91 n THR 122 Cb 0.44 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.14 2p91 n THR 122 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2p91 s SER 123 N 0.96 6.87 0.20 8.00 1.04 -1.26 -4.95 113.70 124.57 2p91 s SER 123 Ca 0.76 1.59 -0.10 0.00 0.48 0.00 0.00 55.95 58.68 2p91 s SER 123 Cb -0.60 -2.50 0.23 0.00 0.10 0.00 0.00 66.02 63.25 2p91 s SER 123 CO 0.37 -0.35 1.79 -0.09 0.98 0.00 0.00 173.24 175.93 2p91 h ARG 124 N 1.87 0.56 -0.41 4.02 2.43 -1.99 -0.94 114.38 119.92 2p91 h ARG 124 Ca -0.49 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.53 2p91 h ARG 124 Cb 1.18 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2p91 h ARG 124 CO 0.62 0.37 -0.21 0.93 -1.51 0.00 0.00 179.97 180.17 2p91 h GLU 125 N 0.58 0.86 -0.77 0.20 3.07 -1.99 -1.51 114.58 115.02 2p91 h GLU 125 Ca 0.28 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2p91 h GLU 125 Cb 0.22 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 2p91 h GLU 125 CO -0.20 1.02 0.40 0.78 -1.40 0.00 0.00 179.01 179.61 2p91 h GLY 126 N 0.67 1.15 0.89 -3.84 0.00 -1.91 -1.46 103.07 98.59 2p91 h GLY 126 Ca 0.09 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.89 2p91 h GLY 126 CO 0.06 0.52 -0.04 -2.75 0.00 0.00 0.00 176.54 174.33 2p91 h PHE 127 N 1.06 -0.09 -0.47 5.60 3.57 -1.03 -0.47 116.94 125.11 2p91 h PHE 127 Ca 0.27 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 2p91 h PHE 127 Cb 0.06 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2p91 h PHE 127 CO 0.00 -0.06 0.27 0.87 -2.23 0.00 0.00 178.31 177.16 2p91 h LYS 128 N -0.06 0.52 -0.21 1.11 1.57 -1.02 -1.47 116.57 117.01 2p91 h LYS 128 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2p91 h LYS 128 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2p91 h LYS 128 CO -0.04 0.34 0.11 0.82 -0.57 0.00 0.00 179.45 180.11 2p91 h ILE 129 N 0.53 1.12 -0.34 1.86 2.04 -1.19 -1.45 117.51 120.09 2p91 h ILE 129 Ca 0.19 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2p91 h ILE 129 Cb 0.04 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2p91 h ILE 129 CO -0.10 0.12 0.10 0.00 0.00 0.00 0.00 178.15 178.27 2p91 h ALA 130 N 0.99 0.38 -0.40 1.87 0.00 -0.60 -0.42 119.26 121.08 2p91 h ALA 130 Ca 0.07 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2p91 h ALA 130 Cb 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2p91 h ALA 130 CO -0.01 -0.30 -0.11 0.52 0.00 0.00 0.00 179.25 179.35 2p91 h MET 131 N 0.24 0.77 0.45 0.00 2.86 -1.25 -0.50 114.93 117.50 2p91 h MET 131 Ca 0.15 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2p91 h MET 131 Cb 0.14 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2p91 h MET 131 CO -0.17 0.91 -0.21 0.22 1.06 0.00 0.00 176.91 178.72 2p91 h ASP 132 N 0.58 -0.51 -0.08 1.22 3.58 -0.98 -0.33 116.42 119.91 2p91 h ASP 132 Ca 0.10 0.02 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 2p91 h ASP 132 Cb 0.63 0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.82 2p91 h ASP 132 CO 0.04 -0.36 -0.76 0.40 -2.88 0.00 0.00 179.24 175.68 2p91 h ILE 133 N -0.60 1.29 0.00 2.25 1.08 -1.12 -1.92 117.51 118.49 2p91 h ILE 133 Ca -0.06 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 2p91 h ILE 133 Cb 0.46 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 2p91 h ILE 133 CO 0.10 0.63 -1.08 -1.20 -0.69 0.00 0.00 178.15 175.90 2p91 n SER 134 N -3.92 0.77 0.07 1.72 7.64 -0.20 -4.25 113.62 115.45 2p91 n SER 134 Ca -0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2p91 n SER 134 Cb 0.73 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 2p91 n SER 134 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2p91 n VAL 135 N -2.61 0.69 -0.12 0.44 0.31 -0.44 -4.80 118.33 111.79 2p91 n VAL 135 Ca -0.00 0.23 0.09 0.00 -0.01 0.00 0.00 64.34 64.64 2p91 n VAL 135 Cb 0.55 -1.22 0.42 0.00 -0.91 0.00 0.00 33.84 32.68 2p91 n VAL 135 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2p91 h TYR 136 N 0.00 0.60 -0.62 3.52 3.20 -0.88 -1.77 116.97 121.01 2p91 h TYR 136 Ca 0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2p91 h TYR 136 Cb 0.12 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2p91 h TYR 136 CO 0.00 0.31 0.42 0.66 -1.64 0.00 0.00 178.16 177.90 2p91 h SER 137 N 0.58 0.38 -0.44 -2.11 4.64 -1.53 -0.56 113.55 114.51 2p91 h SER 137 Ca 0.28 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 2p91 h SER 137 Cb 0.36 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2p91 h SER 137 CO -0.09 0.22 0.21 0.25 -0.87 0.00 0.00 176.83 176.56 2p91 h LEU 138 N 0.42 0.57 -0.32 5.97 5.85 -1.62 -0.91 115.31 125.26 2p91 h LEU 138 Ca 0.29 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2p91 h LEU 138 Cb 0.58 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2p91 h LEU 138 CO -0.08 0.53 0.14 0.40 -0.34 0.00 0.00 178.44 179.09 2p91 h ILE 139 N 0.56 1.17 -0.04 4.05 2.04 -1.22 -1.18 117.51 122.90 2p91 h ILE 139 Ca 0.15 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2p91 h ILE 139 Cb 0.11 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2p91 h ILE 139 CO -0.02 0.18 0.02 0.00 0.00 0.00 0.00 178.15 178.34 2p91 h ALA 140 N 0.99 0.06 -0.69 1.87 0.00 -1.12 -0.91 119.26 119.45 2p91 h ALA 140 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2p91 h ALA 140 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2p91 h ALA 140 CO -0.01 -0.40 0.44 -0.07 0.00 0.00 0.00 179.25 179.21 2p91 h LEU 141 N -0.02 0.81 -0.04 0.00 3.38 -1.17 -0.76 115.31 117.52 2p91 h LEU 141 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2p91 h LEU 141 Cb 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2p91 h LEU 141 CO -0.00 0.61 0.01 0.74 0.09 0.00 0.00 178.44 179.89 2p91 h THR 142 N 0.94 1.17 -0.13 0.22 2.02 -1.08 -1.12 112.91 114.93 2p91 h THR 142 Ca 0.25 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2p91 h THR 142 Cb -0.08 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2p91 h THR 142 CO -0.05 0.14 0.05 -0.09 0.37 0.00 0.00 175.52 175.94 2p91 h ARG 143 N -0.13 0.12 -0.45 6.66 2.43 -1.11 -1.57 114.38 120.33 2p91 h ARG 143 Ca 0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2p91 h ARG 143 Cb 0.22 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2p91 h ARG 143 CO -0.00 0.08 0.04 1.49 -1.51 0.00 0.00 179.97 180.07 2p91 h GLU 144 N 0.12 0.77 -0.00 0.20 4.57 -1.10 -3.25 114.58 115.88 2p91 h GLU 144 Ca 0.05 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2p91 h GLU 144 Cb 0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2p91 h GLU 144 CO -0.05 0.81 -0.42 1.28 -1.18 0.00 0.00 179.01 179.45 2p91 n LEU 145 N -4.43 0.71 -0.29 1.64 4.77 -0.43 -4.40 117.00 114.58 2p91 n LEU 145 Ca 0.00 -0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2p91 n LEU 145 Cb 0.27 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 2p91 n LEU 145 CO 0.41 0.15 1.17 0.25 -1.33 0.00 0.00 177.39 178.04 2p91 h LEU 146 N 0.47 0.79 -1.36 2.23 5.85 -1.32 -1.97 115.31 120.00 2p91 h LEU 146 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 2p91 h LEU 146 Cb 0.50 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2p91 h LEU 146 CO 0.00 0.51 0.55 -0.65 -0.34 0.00 0.00 178.44 178.51 2p91 h PRO 147 N 0.93 0.62 0.00 5.25 0.11 -1.81 -0.31 132.00 136.80 2p91 h PRO 147 Ca 0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2p91 h PRO 147 Cb 0.14 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2p91 h PRO 147 CO -0.16 0.41 0.00 -0.07 -0.21 0.00 0.00 178.00 177.97 2p91 h LEU 148 N 0.64 0.00 -0.51 2.35 3.38 -1.65 -2.29 115.31 117.23 2p91 h LEU 148 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2p91 h LEU 148 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2p91 h LEU 148 CO -0.17 0.00 -0.26 0.23 0.09 0.00 0.00 178.44 178.33 2p91 n MET 149 N -2.81 0.86 -1.71 1.13 2.81 -0.13 -1.05 117.12 116.21 2p91 n MET 149 Ca 0.00 -0.51 -0.43 0.00 -1.81 0.00 0.00 57.70 54.95 2p91 n MET 149 Cb 0.22 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 2p91 n MET 149 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2p91 n GLU 150 N -0.63 2.65 -0.29 0.03 4.07 -0.86 -1.13 120.64 124.48 2p91 n GLU 150 Ca 0.12 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.18 2p91 n GLU 150 Cb 0.35 -2.78 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 2p91 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2p91 n GLY 151 N 3.76 1.50 3.97 8.31 0.00 -1.26 -5.01 105.19 116.47 2p91 n GLY 151 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2p91 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p91 s ARG 152 N -0.33 3.35 -1.17 1.61 1.81 -0.28 -5.03 118.95 118.91 2p91 s ARG 152 Ca 0.00 -0.80 -0.11 0.00 -1.72 0.00 0.00 55.73 53.10 2p91 s ARG 152 Cb 0.00 -2.85 0.23 0.00 -0.45 0.00 0.00 34.95 31.87 2p91 s ARG 152 CO 0.00 0.30 1.36 0.09 -0.68 0.00 0.00 175.30 176.38 2p91 n ASN 153 N -1.51 5.44 -4.78 0.23 3.02 -1.26 -4.79 115.26 111.61 2p91 n ASN 153 Ca -0.06 -3.05 -0.35 0.00 -0.03 0.00 0.00 54.58 51.09 2p91 n ASN 153 Cb 0.57 -1.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.29 2p91 n ASN 153 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2p91 s GLY 154 N 1.63 2.53 -0.01 7.41 0.00 -1.25 -4.93 107.32 112.69 2p91 s GLY 154 Ca 0.37 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.84 2p91 s GLY 154 CO -0.02 1.10 0.01 0.00 0.00 0.00 0.00 173.10 174.19 2p91 s ALA 155 N -1.90 0.03 0.00 3.20 0.00 -0.20 -1.45 121.76 121.45 2p91 s ALA 155 Ca 0.71 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.84 2p91 s ALA 155 Cb -0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2p91 s ALA 155 CO 0.29 -0.03 -0.24 0.42 0.00 0.00 0.00 175.76 176.20 2p91 s ILE 156 N 0.32 1.94 -0.03 0.00 1.01 0.46 -2.03 121.20 122.85 2p91 s ILE 156 Ca -0.03 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.51 2p91 s ILE 156 Cb -0.04 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2p91 s ILE 156 CO -0.01 0.46 -0.08 0.54 0.00 0.00 0.00 174.94 175.85 2p91 s VAL 157 N -0.65 0.73 0.35 2.92 0.11 -0.37 -1.60 120.40 121.89 2p91 s VAL 157 Ca 0.10 -0.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 2p91 s VAL 157 Cb -0.09 -0.67 -0.07 0.00 -1.53 0.00 0.00 36.38 34.02 2p91 s VAL 157 CO 0.00 0.24 -0.06 0.28 -3.33 0.00 0.00 175.10 172.24 2p91 s THR 158 N 0.42 2.03 -0.13 5.04 -1.32 -0.70 -0.33 115.64 120.64 2p91 s THR 158 Ca -0.06 -2.14 -0.03 0.00 -1.21 0.00 0.00 61.69 58.25 2p91 s THR 158 Cb -0.11 -2.69 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 2p91 s THR 158 CO 0.01 -0.17 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.45 2p91 s LEU 159 N -3.59 3.26 0.00 9.08 1.02 -1.11 -0.80 118.68 126.54 2p91 s LEU 159 Ca 0.33 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.40 2p91 s LEU 159 Cb 0.05 -1.76 -0.00 0.00 0.02 0.00 0.00 46.19 44.49 2p91 s LEU 159 CO 0.16 0.23 0.00 -0.24 0.02 0.00 0.00 176.35 176.52 2p91 n SER 160 N 3.12 1.39 -3.60 2.29 2.88 0.82 -4.93 113.62 115.60 2p91 n SER 160 Ca -0.18 -1.08 -0.16 0.00 -1.33 0.00 0.00 58.87 56.12 2p91 n SER 160 Cb 0.53 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 2p91 n SER 160 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2p91 s TYR 161 N -1.38 -0.50 0.63 0.66 5.04 -1.26 -1.93 117.35 118.61 2p91 s TYR 161 Ca 0.00 0.83 0.28 0.00 -2.44 0.00 0.00 57.07 55.75 2p91 s TYR 161 Cb 0.00 0.31 1.51 0.00 0.35 0.00 0.00 41.96 44.13 2p91 s TYR 161 CO 0.00 -0.55 1.88 -0.92 -1.34 0.00 0.00 175.55 174.63 2p91 h TYR 162 N 3.25 0.00 0.00 4.97 3.20 -1.89 0.83 116.97 127.33 2p91 h TYR 162 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 2p91 h TYR 162 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2p91 h TYR 162 CO 0.42 0.00 0.06 0.78 -1.64 0.00 0.00 178.16 177.78 2p91 h GLY 163 N 0.00 0.00 2.00 1.82 0.00 -1.94 0.12 103.07 105.07 2p91 h GLY 163 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 2p91 h GLY 163 CO -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.10 2p91 h ALA 164 N 1.84 1.12 0.00 3.60 0.00 -0.96 -3.37 119.26 121.49 2p91 h ALA 164 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 2p91 h ALA 164 Cb 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2p91 h ALA 164 CO 0.00 0.55 -2.13 0.39 0.00 0.00 0.00 179.25 178.05 2p91 n GLU 165 N -3.79 1.08 -4.21 0.00 1.02 0.32 -4.42 120.64 110.64 2p91 n GLU 165 Ca -0.01 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 2p91 n GLU 165 Cb 0.50 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 2p91 n GLU 165 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2p91 s LYS 166 N -2.40 1.11 -0.32 3.49 -0.14 -0.64 -5.12 119.74 115.73 2p91 s LYS 166 Ca -0.15 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 52.62 2p91 s LYS 166 Cb 0.06 0.03 0.02 0.00 -1.68 0.00 0.00 37.83 36.25 2p91 s LYS 166 CO 0.60 -0.26 1.06 0.08 -0.76 0.00 0.00 175.35 176.07 2p91 s VAL 167 N -3.92 4.52 -0.38 3.17 1.01 -1.26 -4.22 120.40 119.32 2p91 s VAL 167 Ca 0.29 1.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.94 2p91 s VAL 167 Cb 0.07 -4.40 0.09 0.00 0.00 0.00 0.00 36.38 32.13 2p91 s VAL 167 CO 0.06 -0.47 0.16 -0.69 0.00 0.00 0.00 175.10 174.16 2p91 s VAL 168 N 3.62 3.39 0.22 2.92 1.01 -1.26 -5.04 120.40 125.26 2p91 s VAL 168 Ca 0.45 -1.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.36 2p91 s VAL 168 Cb -0.12 -3.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.93 2p91 s VAL 168 CO 0.15 -0.50 1.10 -2.65 0.00 0.00 0.00 175.10 173.20 2p91 n PRO 169 N 4.66 1.25 0.00 2.72 -0.02 -1.26 -1.15 135.00 141.20 2p91 n PRO 169 Ca -0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2p91 n PRO 169 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2p91 n PRO 169 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2p91 n HIS 170 N 1.00 0.00 -0.01 6.00 8.25 -1.26 -4.77 115.22 124.42 2p91 n HIS 170 Ca 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.55 2p91 n HIS 170 Cb 0.28 -0.06 0.20 0.00 1.12 0.00 0.00 29.99 31.53 2p91 n HIS 170 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2p91 h TYR 171 N 0.00 0.62 0.00 4.41 3.20 -1.45 -3.42 116.97 120.33 2p91 h TYR 171 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2p91 h TYR 171 Cb 0.00 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.11 2p91 h TYR 171 CO 0.00 0.71 0.00 0.09 -1.64 0.00 0.00 178.16 177.32 2p91 n ASN 172 N -4.16 0.00 0.22 -2.11 3.02 -1.25 -1.55 115.26 109.44 2p91 n ASN 172 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2p91 n ASN 172 Cb 0.37 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.38 2p91 n ASN 172 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2p91 h VAL 173 N 0.00 0.47 0.00 2.41 3.04 -1.89 0.64 116.25 120.92 2p91 h VAL 173 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2p91 h VAL 173 Cb 0.00 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 2p91 h VAL 173 CO 0.00 0.00 -0.33 -0.03 -1.01 0.00 0.00 177.57 176.20 2p91 h MET 174 N 0.00 0.00 -0.13 4.17 -1.53 -1.66 -0.10 114.93 115.68 2p91 h MET 174 Ca 0.07 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.19 2p91 h MET 174 Cb 0.42 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 2p91 h MET 174 CO -0.00 0.33 -0.53 0.78 0.14 0.00 0.00 176.91 177.63 2p91 h GLY 175 N 1.65 0.42 0.70 1.39 0.00 -0.93 0.14 103.07 106.44 2p91 h GLY 175 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2p91 h GLY 175 CO 0.04 0.42 -0.02 -2.22 0.00 0.00 0.00 176.54 174.77 2p91 h ILE 176 N 0.30 1.18 -0.56 2.60 2.04 -1.42 -2.66 117.51 118.99 2p91 h ILE 176 Ca 0.01 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.23 2p91 h ILE 176 Cb 1.03 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2p91 h ILE 176 CO 0.09 0.18 0.27 0.00 0.00 0.00 0.00 178.15 178.69 2p91 h ALA 177 N 0.60 0.73 -0.12 1.87 0.00 -0.86 -1.98 119.26 119.49 2p91 h ALA 177 Ca -0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2p91 h ALA 177 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2p91 h ALA 177 CO 0.01 -0.09 -0.37 0.87 0.00 0.00 0.00 179.25 179.67 2p91 h LYS 178 N 0.51 0.26 -0.46 0.00 1.79 -0.74 0.20 116.57 118.14 2p91 h LYS 178 Ca 0.26 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 2p91 h LYS 178 Cb 0.20 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2p91 h LYS 178 CO -0.20 0.60 0.09 0.00 -1.08 0.00 0.00 179.45 178.86 2p91 h ALA 179 N 1.39 0.60 -0.75 3.86 0.00 -1.19 -0.67 119.26 122.50 2p91 h ALA 179 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2p91 h ALA 179 Cb 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2p91 h ALA 179 CO 0.06 0.32 0.50 0.00 0.00 0.00 0.00 179.25 180.12 2p91 h ALA 180 N 0.96 0.96 -0.49 0.00 0.00 -0.88 -2.33 119.26 117.47 2p91 h ALA 180 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2p91 h ALA 180 Cb 0.37 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2p91 h ALA 180 CO 0.01 0.37 0.28 1.25 0.00 0.00 0.00 179.25 181.16 2p91 h LEU 181 N 1.02 0.44 -0.70 0.00 5.85 -0.33 0.86 115.31 122.45 2p91 h LEU 181 Ca 0.28 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 2p91 h LEU 181 Cb -0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2p91 h LEU 181 CO -0.06 0.31 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.89 2p91 h GLU 182 N 0.55 0.87 -0.64 1.25 5.08 -0.84 -0.09 114.58 120.76 2p91 h GLU 182 Ca 0.20 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2p91 h GLU 182 Cb 0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2p91 h GLU 182 CO -0.11 0.95 0.29 1.03 -1.00 0.00 0.00 179.01 180.17 2p91 h SER 183 N 0.78 0.85 -0.67 1.42 0.87 -1.24 -2.63 113.55 112.93 2p91 h SER 183 Ca 0.12 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2p91 h SER 183 Cb 0.65 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 2p91 h SER 183 CO 0.05 0.76 0.38 0.74 -0.53 0.00 0.00 176.83 178.23 2p91 h THR 184 N 0.89 1.00 -0.53 2.23 2.02 -0.22 -1.76 112.91 116.53 2p91 h THR 184 Ca 0.22 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.22 2p91 h THR 184 Cb 0.14 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 2p91 h THR 184 CO -0.02 0.13 0.22 0.58 0.37 0.00 0.00 175.52 176.80 2p91 h VAL 185 N 0.72 0.86 0.17 3.16 2.07 -0.78 0.63 116.25 123.09 2p91 h VAL 185 Ca 0.29 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2p91 h VAL 185 Cb 0.14 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2p91 h VAL 185 CO -0.16 0.08 -0.08 0.03 0.02 0.00 0.00 177.57 177.45 2p91 h ARG 186 N 0.42 -0.22 -0.64 1.57 3.08 -1.06 -0.03 114.38 117.50 2p91 h ARG 186 Ca 0.25 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 2p91 h ARG 186 Cb 0.25 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2p91 h ARG 186 CO -0.23 -0.14 0.27 1.88 -1.07 0.00 0.00 179.97 180.67 2p91 h TYR 187 N -0.24 0.96 -0.52 3.04 0.05 -1.10 -2.50 116.97 116.65 2p91 h TYR 187 Ca -0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 2p91 h TYR 187 Cb 0.18 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 2p91 h TYR 187 CO -0.06 0.75 0.17 -0.07 -1.05 0.00 0.00 178.16 177.89 2p91 h LEU 188 N 0.89 0.71 -0.58 3.88 3.38 -0.77 -1.68 115.31 121.14 2p91 h LEU 188 Ca 0.21 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2p91 h LEU 188 Cb 0.18 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2p91 h LEU 188 CO -0.02 0.67 0.31 0.00 0.09 0.00 0.00 178.44 179.49 2p91 h ALA 189 N 1.43 0.76 -0.53 1.53 0.00 -0.57 0.31 119.26 122.19 2p91 h ALA 189 Ca 0.18 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2p91 h ALA 189 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2p91 h ALA 189 CO -0.01 -0.02 0.34 -0.92 0.00 0.00 0.00 179.25 178.64 2p91 h TYR 190 N 0.59 0.65 -0.32 0.00 3.20 -1.13 -2.12 116.97 117.84 2p91 h TYR 190 Ca 0.26 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2p91 h TYR 190 Cb 0.15 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2p91 h TYR 190 CO -0.09 0.40 0.07 -0.44 -1.64 0.00 0.00 178.16 176.46 2p91 h ASP 191 N 0.70 0.49 0.65 -2.11 3.32 -0.42 -3.31 116.42 115.73 2p91 h ASP 191 Ca 0.20 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2p91 h ASP 191 Cb -0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2p91 h ASP 191 CO -0.06 0.60 -0.69 2.30 -1.72 0.00 0.00 179.24 179.68 2p91 n ILE 192 N -4.64 0.21 -0.36 0.35 -5.35 0.01 -3.90 119.36 105.68 2p91 n ILE 192 Ca -0.02 -0.19 0.05 0.00 -0.27 0.00 0.00 62.75 62.32 2p91 n ILE 192 Cb 0.20 0.06 0.22 0.00 -1.74 0.00 0.00 39.64 38.38 2p91 n ILE 192 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2p91 h ALA 193 N 2.66 1.48 0.00 -1.28 0.00 -1.43 -0.42 119.26 120.26 2p91 h ALA 193 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p91 h ALA 193 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2p91 h ALA 193 CO 0.00 0.33 0.00 0.36 0.00 0.00 0.00 179.25 179.94 2p91 n LYS 194 N -4.55 0.30 -0.09 0.00 2.85 -1.25 -0.79 118.16 114.62 2p91 n LYS 194 Ca 0.17 0.10 0.07 0.00 -1.05 0.00 0.00 58.31 57.60 2p91 n LYS 194 Cb 0.27 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.26 2p91 n LYS 194 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2p91 n HIS 195 N -1.22 0.23 -0.83 5.58 8.25 -0.23 -4.98 115.22 122.02 2p91 n HIS 195 Ca 0.09 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2p91 n HIS 195 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2p91 n HIS 195 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p91 n GLY 196 N 0.75 0.49 3.73 -1.41 0.00 0.03 -4.75 105.19 104.02 2p91 n GLY 196 Ca 0.10 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2p91 n GLY 196 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p91 s HIS 197 N -2.00 2.83 0.13 1.61 3.76 -0.82 -3.86 115.29 116.95 2p91 s HIS 197 Ca 0.00 -0.23 0.07 0.00 -0.15 0.00 0.00 55.06 54.75 2p91 s HIS 197 Cb 0.00 -1.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 2p91 s HIS 197 CO 0.00 0.50 -0.16 1.03 -0.85 0.00 0.00 174.74 175.27 2p91 s ARG 198 N -3.78 1.10 -0.12 1.40 0.52 -0.53 -3.58 118.95 113.96 2p91 s ARG 198 Ca 0.34 -1.28 -0.08 0.00 -0.52 0.00 0.00 55.73 54.19 2p91 s ARG 198 Cb -0.06 -1.05 0.04 0.00 0.52 0.00 0.00 34.95 34.40 2p91 s ARG 198 CO 0.22 0.21 0.29 -1.50 0.02 0.00 0.00 175.30 174.54 2p91 s ILE 199 N -2.07 -0.02 0.13 1.52 2.07 -1.26 -0.41 121.20 121.17 2p91 s ILE 199 Ca 0.11 0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.40 2p91 s ILE 199 Cb -0.05 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2p91 s ILE 199 CO 0.04 0.03 0.06 0.20 -1.91 0.00 0.00 174.94 173.36 2p91 s ASN 200 N 0.78 0.30 0.01 4.50 0.01 -0.63 0.33 114.94 120.25 2p91 s ASN 200 Ca -0.05 -1.19 0.07 0.00 -0.71 0.00 0.00 52.86 50.98 2p91 s ASN 200 Cb -0.06 0.30 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 2p91 s ASN 200 CO -0.05 -0.73 -0.20 0.00 -1.51 0.00 0.00 177.10 174.60 2p91 s ALA 201 N -4.04 2.46 -0.32 0.60 0.00 0.33 -1.71 121.76 119.07 2p91 s ALA 201 Ca 0.23 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 2p91 s ALA 201 Cb 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2p91 s ALA 201 CO 0.01 0.55 0.21 0.42 0.00 0.00 0.00 175.76 176.96 2p91 s ILE 202 N -0.80 5.19 -0.79 0.00 1.01 0.02 -0.65 121.20 125.19 2p91 s ILE 202 Ca 0.12 -0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.45 2p91 s ILE 202 Cb -0.10 -3.60 0.10 0.00 0.01 0.00 0.00 42.46 38.86 2p91 s ILE 202 CO 0.02 0.09 1.04 -0.55 0.00 0.00 0.00 174.94 175.54 2p91 s SER 203 N 1.72 6.38 0.22 3.58 0.15 0.41 -0.13 113.70 126.03 2p91 s SER 203 Ca 0.06 -1.48 -0.20 0.00 0.70 0.00 0.00 55.95 55.03 2p91 s SER 203 Cb -0.17 -2.41 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 2p91 s SER 203 CO 0.10 -1.27 0.72 0.00 1.20 0.00 0.00 173.24 173.99 2p91 s ALA 204 N 3.46 3.42 0.99 5.45 0.00 -0.81 -1.05 121.76 133.21 2p91 s ALA 204 Ca 0.27 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 2p91 s ALA 204 Cb -0.11 -2.82 0.18 0.00 0.00 0.00 0.00 23.12 20.37 2p91 s ALA 204 CO 0.01 0.33 1.14 0.20 0.00 0.00 0.00 175.76 177.44 2p91 s GLY 205 N -1.62 1.59 0.40 0.00 0.00 -0.60 -4.55 107.32 102.54 2p91 s GLY 205 Ca 0.42 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 44.24 2p91 s GLY 205 CO 0.21 0.02 1.48 -4.14 0.00 0.00 0.00 173.10 170.67 2p91 s PRO 206 N -5.29 3.97 -0.01 2.90 0.02 -1.26 -4.89 135.00 130.44 2p91 s PRO 206 Ca 0.66 2.56 0.01 0.00 0.02 0.00 0.00 61.00 64.25 2p91 s PRO 206 Cb -0.14 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2p91 s PRO 206 CO 0.55 -0.64 -0.04 0.08 -0.33 0.00 0.00 177.00 176.62 2p91 s VAL 207 N -1.14 0.30 -0.81 3.83 1.01 -1.26 -4.37 120.40 117.97 2p91 s VAL 207 Ca 0.55 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 2p91 s VAL 207 Cb -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2p91 s VAL 207 CO 0.62 0.10 1.64 -0.75 0.00 0.00 0.00 175.10 176.70 2p91 s LYS 208 N 0.04 2.98 0.38 2.72 2.20 -1.26 -4.76 119.74 122.03 2p91 s LYS 208 Ca 0.00 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.47 2p91 s LYS 208 Cb -0.03 -4.72 -0.06 0.00 -1.51 0.00 0.00 37.83 31.52 2p91 s LYS 208 CO -0.00 -2.62 0.07 0.95 -0.36 0.00 0.00 175.35 173.39 2p91 s THR 209 N 7.52 2.39 0.23 3.43 -4.23 -1.26 -4.93 115.64 118.78 2p91 s THR 209 Ca 0.55 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 2p91 s THR 209 Cb -0.07 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 71.04 2p91 s THR 209 CO 0.07 -0.09 1.82 0.25 -0.54 0.00 0.00 174.62 176.13 2p91 h LEU 210 N 1.67 0.68 -1.04 4.79 5.85 -1.93 -2.81 115.31 122.51 2p91 h LEU 210 Ca -0.43 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2p91 h LEU 210 Cb 1.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2p91 h LEU 210 CO 0.71 0.43 0.06 0.00 -0.34 0.00 0.00 178.44 179.29 2p91 h ALA 211 N 1.39 1.22 -2.56 1.25 0.00 -1.96 -3.54 119.26 115.05 2p91 h ALA 211 Ca 0.34 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 54.42 2p91 h ALA 211 Cb 0.21 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 2p91 h ALA 211 CO -0.19 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.65 2p91 s ALA 212 N -5.08 3.59 -0.10 0.00 0.00 -1.07 -5.10 121.76 114.00 2p91 s ALA 212 Ca -0.09 -0.49 -0.41 0.00 0.00 0.00 0.00 51.96 50.97 2p91 s ALA 212 Cb 0.15 -2.94 -0.20 0.00 0.00 0.00 0.00 23.12 20.13 2p91 s ALA 212 CO 0.79 -0.72 1.20 2.41 0.00 0.00 0.00 175.76 179.45 2p91 n THR 216 N 5.06 0.00 -1.02 0.00 -1.04 -1.26 -4.79 114.28 111.24 2p91 n THR 216 Ca -0.03 -0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.98 2p91 n THR 216 Cb 0.49 -0.15 -0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2p91 n THR 216 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2p91 n GLY 217 N 2.09 0.43 0.15 3.41 0.00 -1.26 -4.85 105.19 105.16 2p91 n GLY 217 Ca 0.22 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 2p91 n GLY 217 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2p91 h PHE 218 N 0.00 -0.06 -0.51 1.61 3.57 -1.98 -0.71 116.94 118.86 2p91 h PHE 218 Ca -0.01 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2p91 h PHE 218 Cb 0.24 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 2p91 h PHE 218 CO 0.14 -0.09 0.13 1.25 -2.23 0.00 0.00 178.31 177.52 2p91 h HIS 219 N 0.07 0.22 -0.46 0.41 2.76 -1.94 0.12 115.15 116.33 2p91 h HIS 219 Ca 0.17 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 2p91 h HIS 219 Cb 0.24 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2p91 h HIS 219 CO -0.26 0.03 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.10 2p91 h LEU 220 N 0.28 0.97 -0.09 0.26 3.38 -1.90 -0.25 115.31 117.95 2p91 h LEU 220 Ca 0.26 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2p91 h LEU 220 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2p91 h LEU 220 CO -0.31 1.14 0.05 0.25 0.09 0.00 0.00 178.44 179.67 2p91 h LEU 221 N 0.82 0.09 -0.13 1.67 5.85 -0.50 0.16 115.31 123.26 2p91 h LEU 221 Ca 0.11 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2p91 h LEU 221 Cb 0.78 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2p91 h LEU 221 CO 0.06 0.07 0.02 -0.03 -0.34 0.00 0.00 178.44 178.23 2p91 h MET 222 N 0.11 0.08 -0.40 1.25 4.05 -0.65 -0.04 114.93 119.33 2p91 h MET 222 Ca 0.04 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2p91 h MET 222 Cb -0.01 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 2p91 h MET 222 CO -0.02 0.05 0.25 1.49 0.23 0.00 0.00 176.91 178.92 2p91 h GLU 223 N 0.08 0.50 -0.38 0.39 4.81 -0.88 -1.43 114.58 117.66 2p91 h GLU 223 Ca 0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2p91 h GLU 223 Cb 0.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2p91 h GLU 223 CO -0.08 0.33 0.01 1.25 -0.73 0.00 0.00 179.01 179.78 2p91 h HIS 224 N 0.51 0.73 -0.49 0.92 2.76 -0.41 -1.46 115.15 117.71 2p91 h HIS 224 Ca 0.15 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2p91 h HIS 224 Cb -0.03 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 2p91 h HIS 224 CO -0.06 0.75 0.32 1.15 -1.30 0.00 0.00 177.93 178.79 2p91 h THR 225 N 0.49 1.13 -0.75 6.26 2.02 -0.91 -1.83 112.91 119.32 2p91 h THR 225 Ca 0.11 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2p91 h THR 225 Cb 0.46 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2p91 h THR 225 CO 0.02 0.13 0.46 0.74 0.37 0.00 0.00 175.52 177.24 2p91 h THR 226 N 0.66 1.21 -0.34 3.16 2.02 -1.12 -1.21 112.91 117.29 2p91 h THR 226 Ca 0.18 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 2p91 h THR 226 Cb -0.06 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2p91 h THR 226 CO -0.04 0.22 -0.19 0.11 0.37 0.00 0.00 175.52 175.99 2p91 h LYS 227 N 1.03 0.62 0.12 6.66 1.57 -1.02 -3.25 116.57 122.30 2p91 h LYS 227 Ca 0.27 -0.22 -0.34 0.00 -1.87 0.00 0.00 60.65 58.49 2p91 h LYS 227 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2p91 h LYS 227 CO -0.05 0.77 -1.80 0.28 -0.57 0.00 0.00 179.45 178.08 2p91 h VAL 228 N 0.56 0.84 -4.04 0.50 2.07 -1.12 -3.45 116.25 111.60 2p91 h VAL 228 Ca 0.09 -2.53 -0.54 0.00 0.82 0.00 0.00 66.70 64.54 2p91 h VAL 228 Cb 0.63 2.61 0.12 0.00 -1.52 0.00 0.00 31.29 33.13 2p91 h VAL 228 CO 0.04 0.82 0.57 0.54 0.02 0.00 0.00 177.57 179.56 2p91 s ASN 229 N -6.96 5.45 0.63 0.57 2.20 -0.48 -4.88 114.94 111.48 2p91 s ASN 229 Ca -0.16 2.62 0.42 0.00 -0.94 0.00 0.00 52.86 54.81 2p91 s ASN 229 Cb 0.07 -2.62 2.28 0.00 -2.00 0.00 0.00 41.25 38.97 2p91 s ASN 229 CO 0.82 -1.44 2.28 1.55 -2.94 0.00 0.00 177.10 177.37 2p91 h PRO 230 N 1.52 0.00 0.00 3.55 0.13 -1.80 -1.09 132.00 134.31 2p91 h PRO 230 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2p91 h PRO 230 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2p91 h PRO 230 CO 0.58 0.00 -0.67 1.19 -0.23 0.00 0.00 178.00 178.87 2p91 n PHE 231 N -2.98 0.17 -2.61 1.56 3.72 -1.25 -4.97 117.46 111.11 2p91 n PHE 231 Ca -0.03 0.05 -0.18 0.00 -0.05 0.00 0.00 57.45 57.24 2p91 n PHE 231 Cb 0.07 -0.36 0.01 0.00 -0.94 0.00 0.00 39.48 38.26 2p91 n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p91 n GLY 232 N 1.44 -0.34 3.39 1.37 0.00 -0.41 -5.00 105.19 105.64 2p91 n GLY 232 Ca 0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 2p91 n GLY 232 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p91 s LYS 233 N -5.18 0.89 0.72 1.61 -2.85 -1.23 -4.83 119.74 108.88 2p91 s LYS 233 Ca 0.12 0.03 -0.11 0.00 -1.00 0.00 0.00 55.97 55.01 2p91 s LYS 233 Cb -0.05 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2p91 s LYS 233 CO 0.15 -0.27 1.08 -1.25 0.10 0.00 0.00 175.35 175.16 2p91 s PRO 234 N -1.34 2.70 0.86 1.78 0.04 -1.26 -4.83 135.00 132.95 2p91 s PRO 234 Ca -0.12 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 2p91 s PRO 234 Cb -0.02 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.65 2p91 s PRO 234 CO 0.07 -1.21 1.13 0.96 0.04 0.00 0.00 177.00 177.99 2p91 s ILE 235 N -3.16 2.36 0.34 0.56 -4.36 -1.26 -5.01 121.20 110.67 2p91 s ILE 235 Ca 0.59 0.12 0.09 0.00 -0.26 0.00 0.00 60.65 61.18 2p91 s ILE 235 Cb -0.13 -2.89 -0.06 0.00 1.25 0.00 0.00 42.46 40.63 2p91 s ILE 235 CO 0.54 -0.15 -0.03 0.42 0.24 0.00 0.00 174.94 175.96 2p91 s THR 236 N -3.27 2.48 0.39 8.37 -4.23 -1.26 -4.83 115.64 113.28 2p91 s THR 236 Ca 0.63 -2.06 0.26 0.00 -1.18 0.00 0.00 61.69 59.33 2p91 s THR 236 Cb -0.14 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.23 2p91 s THR 236 CO 0.53 -0.20 2.03 0.16 -0.54 0.00 0.00 174.62 176.61 2p91 h ILE 237 N 1.89 0.62 -0.30 2.99 3.07 -1.93 -2.13 117.51 121.73 2p91 h ILE 237 Ca -0.42 -0.62 -0.12 0.00 1.55 0.00 0.00 64.86 65.24 2p91 h ILE 237 Cb 1.25 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 39.19 2p91 h ILE 237 CO 0.68 0.14 -0.31 -0.33 -1.05 0.00 0.00 178.15 177.29 2p91 h GLU 238 N 0.00 0.63 -0.63 0.16 3.07 -1.92 -0.82 114.58 115.07 2p91 h GLU 238 Ca -0.00 -0.28 0.03 0.00 -0.50 0.00 0.00 59.36 58.61 2p91 h GLU 238 Cb 0.39 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 2p91 h GLU 238 CO 0.02 0.86 0.39 -0.44 -1.40 0.00 0.00 179.01 178.43 2p91 h ASP 239 N 0.54 0.64 -0.37 1.42 3.32 -1.78 -0.81 116.42 119.37 2p91 h ASP 239 Ca 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2p91 h ASP 239 Cb 0.79 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2p91 h ASP 239 CO 0.06 0.44 0.07 0.58 -1.72 0.00 0.00 179.24 178.68 2p91 h VAL 240 N 0.76 1.23 -0.37 -1.35 2.07 -1.39 -2.90 116.25 114.31 2p91 h VAL 240 Ca 0.25 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2p91 h VAL 240 Cb 0.02 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2p91 h VAL 240 CO -0.10 0.28 0.23 1.23 0.02 0.00 0.00 177.57 179.23 2p91 h GLY 241 N 0.46 0.52 1.38 2.17 0.00 -0.68 0.31 103.07 107.23 2p91 h GLY 241 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2p91 h GLY 241 CO 0.01 0.16 0.05 -0.55 0.00 0.00 0.00 176.54 176.21 2p91 h ASP 242 N 0.47 0.72 -0.44 0.19 3.32 -1.20 -0.46 116.42 119.00 2p91 h ASP 242 Ca 0.14 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2p91 h ASP 242 Cb -0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2p91 h ASP 242 CO -0.05 0.76 -0.08 0.74 -1.72 0.00 0.00 179.24 178.88 2p91 h THR 243 N 0.72 1.27 -0.90 0.35 2.02 -1.28 -2.76 112.91 112.34 2p91 h THR 243 Ca 0.15 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 2p91 h THR 243 Cb 0.37 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 2p91 h THR 243 CO 0.01 0.40 0.53 0.00 0.37 0.00 0.00 175.52 176.83 2p91 h ALA 244 N 0.88 1.25 0.26 6.16 0.00 -0.51 -1.05 119.26 126.25 2p91 h ALA 244 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2p91 h ALA 244 Cb 0.61 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2p91 h ALA 244 CO 0.04 0.64 -0.27 0.28 0.00 0.00 0.00 179.25 179.94 2p91 h VAL 245 N 1.24 0.42 -0.20 0.00 2.07 -0.98 0.33 116.25 119.14 2p91 h VAL 245 Ca 0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.89 2p91 h VAL 245 Cb -0.04 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2p91 h VAL 245 CO -0.06 0.00 -0.16 0.15 0.02 0.00 0.00 177.57 177.52 2p91 h PHE 246 N -0.57 -0.41 0.00 1.57 3.57 -1.16 -1.77 116.94 118.17 2p91 h PHE 246 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2p91 h PHE 246 Cb 0.53 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2p91 h PHE 246 CO -0.18 -0.23 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.36 2p91 h LEU 247 N -0.17 0.00 -2.07 0.59 3.38 -0.98 -1.70 115.31 114.36 2p91 h LEU 247 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2p91 h LEU 247 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2p91 h LEU 247 CO -0.30 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.47 2p91 s SER 249 N -1.10 5.45 0.10 0.00 1.04 -0.64 -4.79 113.70 113.76 2p91 s SER 249 Ca 0.38 -0.50 0.20 0.00 0.48 0.00 0.00 55.95 56.51 2p91 s SER 249 Cb 0.20 -0.77 0.82 0.00 0.10 0.00 0.00 66.02 66.38 2p91 s SER 249 CO 0.27 -0.61 1.62 0.47 0.98 0.00 0.00 173.24 175.97 2p91 n ASP 250 N -1.64 0.28 0.23 7.02 8.00 -1.26 -2.25 116.55 126.92 2p91 n ASP 250 Ca 0.04 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.16 2p91 n ASP 250 Cb 0.60 -0.62 0.52 0.00 -0.02 0.00 0.00 41.12 41.60 2p91 n ASP 250 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2p91 h TRP 251 N 0.00 0.00 -0.61 1.24 4.06 -1.94 -2.81 115.95 115.89 2p91 h TRP 251 Ca 0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 2p91 h TRP 251 Cb 0.35 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.40 2p91 h TRP 251 CO 0.00 0.20 0.25 0.00 -3.56 0.00 0.00 178.44 175.33 2p91 n ALA 252 N -2.46 4.24 0.27 1.49 0.00 -0.95 -4.62 120.51 118.48 2p91 n ALA 252 Ca -0.02 -1.87 0.18 0.00 0.00 0.00 0.00 53.44 51.73 2p91 n ALA 252 Cb 0.26 -1.22 0.91 0.00 0.00 0.00 0.00 19.45 19.41 2p91 n ALA 252 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2p91 h ARG 253 N 1.95 0.00 -0.70 0.00 0.11 -1.65 0.15 114.38 114.25 2p91 h ARG 253 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 2p91 h ARG 253 Cb 2.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.14 2p91 h ARG 253 CO 0.62 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.69 2p91 n ALA 254 N -2.13 2.37 -3.82 0.08 0.00 -1.26 -4.88 120.51 110.86 2p91 n ALA 254 Ca -0.00 -1.30 -0.34 0.00 0.00 0.00 0.00 53.44 51.80 2p91 n ALA 254 Cb 0.30 -0.88 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 2p91 n ALA 254 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2p91 s ILE 255 N -1.02 2.66 0.01 0.00 1.01 0.54 -5.09 121.20 119.31 2p91 s ILE 255 Ca 0.47 -1.18 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 2p91 s ILE 255 Cb 0.24 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 40.34 2p91 s ILE 255 CO 0.32 0.15 0.26 0.28 0.00 0.00 0.00 174.94 175.95 2p91 s THR 256 N 1.27 0.08 -1.61 2.92 -1.32 -1.26 -4.69 115.64 111.02 2p91 s THR 256 Ca -0.02 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 2p91 s THR 256 Cb -0.17 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 2p91 s THR 256 CO -0.05 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 2p91 n GLY 257 N 0.99 1.55 3.90 6.08 0.00 0.15 -4.96 105.19 112.90 2p91 n GLY 257 Ca -0.20 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 2p91 n GLY 257 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p91 s GLU 258 N -3.28 3.50 -0.28 1.61 2.56 -1.26 -4.66 118.70 116.89 2p91 s GLU 258 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.97 54.66 2p91 s GLU 258 Cb 0.00 -3.05 0.01 0.00 2.00 0.00 0.00 34.13 33.09 2p91 s GLU 258 CO 0.00 0.63 0.05 0.08 -0.56 0.00 0.00 175.26 175.46 2p91 s VAL 259 N -1.39 3.77 -0.23 3.70 1.01 -1.26 -0.51 120.40 125.48 2p91 s VAL 259 Ca 0.30 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2p91 s VAL 259 Cb -0.13 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2p91 s VAL 259 CO 0.20 0.12 0.07 -0.69 0.00 0.00 0.00 175.10 174.80 2p91 s VAL 260 N 1.47 4.38 -0.21 2.92 1.01 0.18 -4.90 120.40 125.25 2p91 s VAL 260 Ca 0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2p91 s VAL 260 Cb -0.17 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2p91 s VAL 260 CO 0.01 0.36 1.18 -1.00 0.00 0.00 0.00 175.10 175.66 2p91 s HIS 261 N 1.37 3.00 -0.66 5.22 3.76 -1.26 -0.44 115.29 126.28 2p91 s HIS 261 Ca 0.05 1.15 0.04 0.00 -0.15 0.00 0.00 55.06 56.15 2p91 s HIS 261 Cb -0.15 -3.49 0.16 0.00 1.11 0.00 0.00 32.58 30.21 2p91 s HIS 261 CO 0.03 -1.25 0.44 0.08 -0.85 0.00 0.00 174.74 173.20 2p91 s VAL 262 N 3.52 2.98 0.00 -0.90 1.01 -0.22 -4.84 120.40 121.96 2p91 s VAL 262 Ca 0.51 -3.86 0.00 0.00 0.00 0.00 0.00 61.98 58.63 2p91 s VAL 262 Cb -0.18 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2p91 s VAL 262 CO 0.13 -0.94 0.51 -0.90 0.00 0.00 0.00 175.10 173.91 2p91 n ASP 263 N 2.46 0.00 -2.60 3.32 5.75 -1.26 -1.56 116.55 122.66 2p91 n ASP 263 Ca 0.14 -1.25 -0.17 0.00 -0.01 0.00 0.00 54.79 53.50 2p91 n ASP 263 Cb 0.34 -0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2p91 n ASP 263 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2p91 n ASN 264 N 0.00 -4.64 0.00 -1.12 3.02 -1.26 -2.26 115.26 109.00 2p91 n ASN 264 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2p91 n ASN 264 Cb 0.55 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 2p91 n ASN 264 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p91 n GLY 265 N -0.98 0.72 0.37 7.41 0.00 -1.26 -3.55 105.19 107.90 2p91 n GLY 265 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 2p91 n GLY 265 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2p91 h TYR 266 N 0.00 1.17 -0.00 1.61 3.20 -1.83 -1.90 116.97 119.22 2p91 h TYR 266 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2p91 h TYR 266 Cb 0.00 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.90 2p91 h TYR 266 CO 0.00 0.51 0.03 1.12 -1.64 0.00 0.00 178.16 178.18 2p91 h HIS 267 N 1.06 0.00 0.00 -3.82 2.07 -1.92 -2.11 115.15 110.43 2p91 h HIS 267 Ca 0.48 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.94 2p91 h HIS 267 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 2p91 h HIS 267 CO -0.00 0.00 -0.29 -0.84 -3.07 0.00 0.00 177.93 173.73 2p91 h ILE 268 N 0.00 0.56 -3.47 6.12 3.07 -1.76 -3.47 117.51 118.55 2p91 h ILE 268 Ca 0.00 -1.54 -0.52 0.00 1.55 0.00 0.00 64.86 64.36 2p91 h ILE 268 Cb 0.06 2.08 0.01 0.00 -0.27 0.00 0.00 36.82 38.70 2p91 h ILE 268 CO -0.00 0.28 0.53 -0.04 -1.05 0.00 0.00 178.15 177.87 2p91 s MET 269 N -3.28 4.52 0.00 0.16 -1.94 -0.80 -4.92 119.30 113.05 2p91 s MET 269 Ca 0.03 1.80 0.07 0.00 -1.71 0.00 0.00 55.69 55.88 2p91 s MET 269 Cb 0.08 -3.27 0.15 0.00 2.01 0.00 0.00 34.83 33.80 2p91 s MET 269 CO 0.68 -0.05 1.00 0.41 -0.01 0.00 0.00 175.02 177.06 2p91 n GLY 270 N 2.28 1.49 0.00 -0.03 0.00 -1.26 -5.13 105.19 102.54 2p91 n GLY 270 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2p91 n GLY 270 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70