#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p91 n LEU 19 N 0.00 2.75 -4.72 -1.96 4.77 0.30 -4.75 117.00 113.39 2p91 n LEU 19 Ca 0.00 -3.91 -0.42 0.00 -0.03 0.00 0.00 56.01 51.65 2p91 n LEU 19 Cb 0.00 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2p91 n LEU 19 CO 0.00 1.42 1.30 -0.70 -1.33 0.00 0.00 177.39 178.07 2p91 s GLU 20 N -3.22 4.16 0.00 3.23 2.12 -1.16 -1.64 118.70 122.20 2p91 s GLU 20 Ca 0.38 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.22 2p91 s GLU 20 Cb 0.37 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.67 2p91 s GLU 20 CO -0.07 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 2p91 n GLY 21 N 3.57 1.39 3.82 -1.50 0.00 -1.26 -5.01 105.19 106.20 2p91 n GLY 21 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.13 4.07 -0.22 1.61 -0.14 -0.65 -4.97 119.74 119.31 2p91 s LYS 22 Ca 0.00 0.57 -0.04 0.00 -1.36 0.00 0.00 55.97 55.14 2p91 s LYS 22 Cb 0.00 -3.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.90 2p91 s LYS 22 CO 0.00 0.65 -0.02 1.03 -0.76 0.00 0.00 175.35 176.24 2p91 s ARG 23 N -1.02 3.45 -0.08 1.68 0.52 -1.26 -1.09 118.95 121.15 2p91 s ARG 23 Ca 0.26 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 2p91 s ARG 23 Cb -0.18 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 2p91 s ARG 23 CO 0.16 -0.16 -0.24 0.00 0.02 0.00 0.00 175.30 175.08 2p91 s ALA 24 N 1.40 2.13 -0.15 2.13 0.00 -0.09 -0.80 121.76 126.38 2p91 s ALA 24 Ca 0.05 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 2p91 s ALA 24 Cb -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2p91 s ALA 24 CO -0.01 0.35 0.50 -1.17 0.00 0.00 0.00 175.76 175.42 2p91 s LEU 25 N 0.09 4.22 -0.28 0.00 2.96 -0.47 -1.51 118.68 123.70 2p91 s LEU 25 Ca -0.11 0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 54.49 2p91 s LEU 25 Cb -0.16 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.83 2p91 s LEU 25 CO 0.06 -0.08 0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 2p91 s ILE 26 N 1.07 3.95 0.16 6.68 -1.09 0.78 -0.92 121.20 131.83 2p91 s ILE 26 Ca 0.25 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2p91 s ILE 26 Cb -0.15 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 2p91 s ILE 26 CO 0.10 0.15 0.27 0.42 -1.23 0.00 0.00 174.94 174.66 2p91 s THR 27 N 1.51 5.20 0.00 2.92 -4.23 -0.77 -2.34 115.64 117.94 2p91 s THR 27 Ca 0.03 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2p91 s THR 27 Cb -0.17 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.98 2p91 s THR 27 CO 0.02 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 2p91 n GLY 28 N -0.64 0.72 3.65 3.99 0.00 -1.25 -3.88 105.19 107.78 2p91 n GLY 28 Ca -0.07 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 4.73 -0.13 1.61 1.01 -1.26 -4.54 120.40 119.83 2p91 s VAL 29 Ca 0.00 1.87 0.01 0.00 0.00 0.00 0.00 61.98 63.86 2p91 s VAL 29 Cb 0.00 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 2p91 s VAL 29 CO 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 175.10 174.84 2p91 n ALA 30 N 6.19 1.73 -3.00 5.51 0.00 -1.26 -4.78 120.51 124.89 2p91 n ALA 30 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2p91 n ALA 30 Cb 0.47 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.89 0.00 0.00 0.00 0.23 -1.26 -4.70 115.26 106.64 2p91 n ASN 31 Ca -0.23 -0.90 0.12 0.00 -0.53 0.00 0.00 54.58 53.04 2p91 n ASN 31 Cb 0.74 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 39.09 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 0.38 0.00 -3.83 4.71 -1.26 -2.44 120.64 118.20 2p91 n GLU 32 Ca 0.00 0.05 0.08 0.00 -0.01 0.00 0.00 57.16 57.28 2p91 n GLU 32 Cb 0.00 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 28.94 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 -1.27 1.59 -1.81 3.49 1.74 -1.26 -4.82 116.66 114.33 2p91 n ARG 33 Ca 0.12 -0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 55.88 2p91 n ARG 33 Cb 0.20 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2p91 n ARG 33 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2p91 s SER 34 N -1.95 6.36 0.25 0.55 0.01 -1.02 -4.91 113.70 112.99 2p91 s SER 34 Ca 0.15 3.02 -0.04 0.00 1.31 0.00 0.00 55.95 60.39 2p91 s SER 34 Cb 0.14 -2.66 0.41 0.00 0.21 0.00 0.00 66.02 64.12 2p91 s SER 34 CO 0.41 -0.87 1.81 0.40 0.41 0.00 0.00 173.24 175.41 2p91 h ILE 35 N 3.05 0.91 -0.11 1.44 2.04 -1.90 -0.58 117.51 122.36 2p91 h ILE 35 Ca -0.50 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.11 2p91 h ILE 35 Cb 1.24 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2p91 h ILE 35 CO 0.67 0.15 0.09 0.00 0.00 0.00 0.00 178.15 179.06 2p91 h ALA 36 N 1.46 1.96 -0.51 1.87 0.00 -1.86 -1.69 119.26 120.50 2p91 h ALA 36 Ca 0.41 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2p91 h ALA 36 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2p91 h ALA 36 CO -0.25 -0.15 -0.04 -0.92 0.00 0.00 0.00 179.25 177.89 2p91 h TYR 37 N 0.00 1.01 -0.77 0.00 3.20 -1.35 0.00 116.97 119.07 2p91 h TYR 37 Ca 0.05 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 2p91 h TYR 37 Cb 0.24 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2p91 h TYR 37 CO 0.00 0.95 0.27 0.78 -1.64 0.00 0.00 178.16 178.53 2p91 h GLY 38 N 0.78 1.25 0.83 1.82 0.00 -1.20 0.61 103.07 107.16 2p91 h GLY 38 Ca 0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2p91 h GLY 38 CO 0.03 0.67 0.03 -2.22 0.00 0.00 0.00 176.54 175.05 2p91 h ILE 39 N 1.13 1.18 -0.93 2.60 2.04 -1.28 -1.98 117.51 120.27 2p91 h ILE 39 Ca 0.25 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.59 2p91 h ILE 39 Cb 0.26 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 2p91 h ILE 39 CO -0.01 0.16 0.61 0.00 0.00 0.00 0.00 178.15 178.91 2p91 h ALA 40 N 0.84 1.38 0.16 1.87 0.00 -0.67 0.86 119.26 123.70 2p91 h ALA 40 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2p91 h ALA 40 Cb 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2p91 h ALA 40 CO -0.00 0.54 -0.08 -0.22 0.00 0.00 0.00 179.25 179.49 2p91 h LYS 41 N 1.20 -0.21 -0.70 0.00 3.64 -0.74 0.57 116.57 120.32 2p91 h LYS 41 Ca 0.36 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2p91 h LYS 41 Cb -0.04 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2p91 h LYS 41 CO -0.10 -0.12 0.35 0.77 -2.27 0.00 0.00 179.45 178.08 2p91 h SER 42 N -0.24 0.91 -0.38 4.20 0.02 -1.02 -2.00 113.55 115.03 2p91 h SER 42 Ca -0.02 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2p91 h SER 42 Cb 0.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2p91 h SER 42 CO 0.04 0.77 0.25 -0.26 -1.14 0.00 0.00 176.83 176.49 2p91 h PHE 43 N 0.98 0.48 -0.09 3.45 -1.00 -0.66 -1.85 116.94 118.24 2p91 h PHE 43 Ca 0.24 0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.05 2p91 h PHE 43 Cb 0.09 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 2p91 h PHE 43 CO 0.00 0.30 0.01 1.25 -1.61 0.00 0.00 178.31 178.26 2p91 h HIS 44 N 0.51 0.01 -0.90 -0.55 2.76 -0.70 -1.95 115.15 114.33 2p91 h HIS 44 Ca 0.14 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.47 2p91 h HIS 44 Cb -0.05 0.01 -0.10 0.00 1.55 0.00 0.00 27.41 28.82 2p91 h HIS 44 CO -0.05 -0.00 0.50 -0.09 -1.30 0.00 0.00 177.93 176.98 2p91 h ARG 45 N 0.04 0.66 -0.37 5.26 2.43 -1.22 -1.61 114.38 119.57 2p91 h ARG 45 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2p91 h ARG 45 Cb 0.04 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2p91 h ARG 45 CO -0.06 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 2p91 n GLU 46 N -4.83 1.82 -0.31 0.20 -0.58 -0.71 -4.90 120.64 111.32 2p91 n GLU 46 Ca 0.19 -1.12 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 2p91 n GLU 46 Cb 0.47 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.90 0.83 3.77 0.62 0.00 -0.60 -0.54 105.19 110.17 2p91 n GLY 47 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.04 3.27 0.23 4.61 0.00 -0.79 -4.00 121.76 123.03 2p91 s ALA 48 Ca 0.00 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.45 2p91 s ALA 48 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 2p91 s ALA 48 CO 0.00 -0.03 0.78 -0.65 0.00 0.00 0.00 175.76 175.86 2p91 s GLN 49 N -1.80 4.38 0.04 0.00 -0.21 -0.25 -4.51 119.66 117.31 2p91 s GLN 49 Ca 0.48 1.02 0.07 0.00 0.02 0.00 0.00 55.36 56.96 2p91 s GLN 49 Cb -0.25 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 2p91 s GLN 49 CO 0.32 0.41 -0.21 -0.51 -2.12 0.00 0.00 175.29 173.18 2p91 s LEU 50 N -1.82 2.17 0.04 2.90 1.43 -1.26 -0.91 118.68 121.23 2p91 s LEU 50 Ca 0.43 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2p91 s LEU 50 Cb -0.18 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2p91 s LEU 50 CO 0.23 0.16 -0.11 0.00 0.23 0.00 0.00 176.35 176.85 2p91 s ALA 51 N -0.81 0.91 0.01 4.21 0.00 -0.57 -4.61 121.76 120.91 2p91 s ALA 51 Ca 0.07 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2p91 s ALA 51 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2p91 s ALA 51 CO 0.02 0.14 -0.18 -0.06 0.00 0.00 0.00 175.76 175.68 2p91 s PHE 52 N -0.91 1.57 0.22 0.00 0.08 0.29 -0.15 117.98 119.08 2p91 s PHE 52 Ca -0.02 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 2p91 s PHE 52 Cb -0.08 -0.98 -0.05 0.00 -0.57 0.00 0.00 43.02 41.35 2p91 s PHE 52 CO 0.01 0.01 0.45 0.95 -0.10 0.00 0.00 175.22 176.54 2p91 s THR 53 N -0.57 5.12 -0.03 0.64 -4.23 -0.99 -0.90 115.64 114.68 2p91 s THR 53 Ca 0.06 -0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 2p91 s THR 53 Cb -0.07 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 2p91 s THR 53 CO 0.00 -0.18 -0.20 -0.72 -0.54 0.00 0.00 174.62 172.98 2p91 s TYR 54 N -1.90 1.90 0.18 3.99 -0.85 -0.53 -4.52 117.35 115.61 2p91 s TYR 54 Ca 0.41 -0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2p91 s TYR 54 Cb -0.11 -1.25 0.08 0.00 0.38 0.00 0.00 41.96 41.06 2p91 s TYR 54 CO 0.28 -0.12 1.48 0.00 -1.52 0.00 0.00 175.55 175.67 2p91 h ALA 55 N 5.97 0.65 -2.49 9.51 0.00 -1.87 -0.75 119.26 130.28 2p91 h ALA 55 Ca -0.35 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 53.89 2p91 h ALA 55 Cb 1.16 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 2p91 h ALA 55 CO 0.48 0.70 -0.68 0.95 0.00 0.00 0.00 179.25 180.69 2p91 s THR 56 N -3.92 0.18 0.40 0.00 -4.23 -1.26 -4.12 115.64 102.69 2p91 s THR 56 Ca -0.07 -1.50 0.13 0.00 -1.18 0.00 0.00 61.69 59.06 2p91 s THR 56 Cb 0.11 -1.10 0.34 0.00 1.34 0.00 0.00 72.50 73.19 2p91 s THR 56 CO 0.85 -0.83 1.91 -0.65 -0.54 0.00 0.00 174.62 175.36 2p91 h PRO 57 N 3.65 0.52 0.00 3.99 0.11 -2.02 -1.25 132.00 136.99 2p91 h PRO 57 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2p91 h PRO 57 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2p91 h PRO 57 CO 0.58 0.34 0.00 0.36 -0.21 0.00 0.00 178.00 179.07 2p91 n LYS 58 N -4.50 0.04 0.00 1.05 2.85 -1.26 -1.84 118.16 114.50 2p91 n LYS 58 Ca 0.15 0.35 0.10 0.00 -1.05 0.00 0.00 58.31 57.86 2p91 n LYS 58 Cb 0.47 -1.59 -0.10 0.00 -0.65 0.00 0.00 35.03 33.16 2p91 n LYS 58 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2p91 n LEU 59 N -1.67 1.20 -0.17 -5.58 4.77 -0.47 -4.63 117.00 110.44 2p91 n LEU 59 Ca 0.02 -0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 55.41 2p91 n LEU 59 Cb 0.14 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2p91 n LEU 59 CO 0.12 0.27 1.02 -0.08 -1.33 0.00 0.00 177.39 177.39 2p91 h GLU 60 N 0.46 0.47 0.26 3.23 4.81 -1.39 -2.13 114.58 120.30 2p91 h GLU 60 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2p91 h GLU 60 Cb 0.55 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2p91 h GLU 60 CO 0.00 0.31 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.25 2p91 h LYS 61 N 0.49 -0.34 -0.52 1.92 3.64 -1.82 -0.50 116.57 119.44 2p91 h LYS 61 Ca 0.23 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2p91 h LYS 61 Cb 0.16 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2p91 h LYS 61 CO -0.17 -0.18 0.32 -0.09 -2.27 0.00 0.00 179.45 177.06 2p91 h ARG 62 N -0.42 0.62 -0.66 1.90 9.65 -1.85 -1.52 114.38 122.10 2p91 h ARG 62 Ca -0.04 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.75 2p91 h ARG 62 Cb 0.32 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 2p91 h ARG 62 CO 0.06 0.41 0.19 0.28 2.80 0.00 0.00 179.97 183.71 2p91 h VAL 63 N 0.64 1.25 -0.55 0.20 2.07 -1.27 -0.08 116.25 118.52 2p91 h VAL 63 Ca 0.20 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2p91 h VAL 63 Cb -0.01 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2p91 h VAL 63 CO -0.08 0.34 0.33 0.03 0.02 0.00 0.00 177.57 178.21 2p91 h ARG 64 N 0.97 0.74 -0.21 1.57 3.08 -0.83 0.42 114.38 120.13 2p91 h ARG 64 Ca 0.21 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2p91 h ARG 64 Cb 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2p91 h ARG 64 CO -0.00 0.54 0.11 0.93 -1.07 0.00 0.00 179.97 180.47 2p91 h GLU 65 N 0.74 0.30 -0.22 0.04 5.08 -0.97 -0.81 114.58 118.73 2p91 h GLU 65 Ca 0.20 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2p91 h GLU 65 Cb -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2p91 h GLU 65 CO -0.04 0.30 0.01 0.82 -1.00 0.00 0.00 179.01 179.10 2p91 h ILE 66 N 0.22 0.86 -0.62 3.13 2.04 -0.87 -0.40 117.51 121.87 2p91 h ILE 66 Ca 0.07 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2p91 h ILE 66 Cb 0.09 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2p91 h ILE 66 CO -0.01 0.02 0.38 0.00 0.00 0.00 0.00 178.15 178.53 2p91 h ALA 67 N 1.18 0.82 -0.64 1.87 0.00 -0.74 -2.27 119.26 119.48 2p91 h ALA 67 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2p91 h ALA 67 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2p91 h ALA 67 CO -0.17 0.10 0.41 -0.22 0.00 0.00 0.00 179.25 179.38 2p91 h LYS 68 N 0.73 0.85 -0.09 0.00 3.64 -0.64 0.46 116.57 121.52 2p91 h LYS 68 Ca 0.26 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2p91 h LYS 68 Cb 0.06 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2p91 h LYS 68 CO -0.12 0.58 0.19 0.78 -2.27 0.00 0.00 179.45 178.61 2p91 h GLY 69 N 0.87 0.00 -2.43 5.01 0.00 -0.50 0.32 103.07 106.34 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 -0.05 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.18 2p91 n PHE 70 N -3.36 0.82 -1.28 5.60 3.72 -0.54 -4.95 117.46 117.46 2p91 n PHE 70 Ca -0.00 -0.45 -0.03 0.00 -0.05 0.00 0.00 57.45 56.92 2p91 n PHE 70 Cb 0.28 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.47 0.54 3.54 1.37 0.00 0.11 -4.95 105.19 107.26 2p91 n GLY 71 Ca 0.22 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.95 4.49 -0.00 1.61 0.15 0.15 -4.95 113.70 112.21 2p91 s SER 72 Ca 0.00 -0.09 0.11 0.00 0.70 0.00 0.00 55.95 56.67 2p91 s SER 72 Cb 0.00 -1.20 0.31 0.00 -1.71 0.00 0.00 66.02 63.42 2p91 s SER 72 CO 0.00 0.33 1.26 -0.90 1.20 0.00 0.00 173.24 175.13 2p91 n ASP 73 N 2.46 2.95 -4.34 5.45 5.68 -1.26 -2.17 116.55 125.32 2p91 n ASP 73 Ca -0.18 -2.02 -0.46 0.00 -0.50 0.00 0.00 54.79 51.63 2p91 n ASP 73 Cb 0.53 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 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 -1.03 6.40 -0.04 -2.12 1.43 -1.26 -5.00 118.68 117.05 2p91 s LEU 74 Ca 0.24 -2.31 0.02 0.00 -1.03 0.00 0.00 54.13 51.04 2p91 s LEU 74 Cb 0.13 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2p91 s LEU 74 CO 0.16 -0.72 -0.08 -0.69 0.23 0.00 0.00 176.35 175.25 2p91 s VAL 75 N 0.90 0.76 -0.02 -1.59 1.01 -1.26 -0.55 120.40 119.66 2p91 s VAL 75 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2p91 s VAL 75 Cb -0.16 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2p91 s VAL 75 CO -0.05 0.26 0.05 0.54 0.00 0.00 0.00 175.10 175.90 2p91 s VAL 76 N 0.61 -0.01 0.24 2.92 0.11 -0.07 -4.98 120.40 119.22 2p91 s VAL 76 Ca -0.10 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 2p91 s VAL 76 Cb -0.13 -0.08 -0.10 0.00 -1.53 0.00 0.00 36.38 34.54 2p91 s VAL 76 CO 0.01 0.01 1.41 -0.75 -3.33 0.00 0.00 175.10 172.45 2p91 s LYS 77 N 0.16 4.30 -0.28 1.54 2.36 -1.26 -1.45 119.74 125.10 2p91 s LYS 77 Ca -0.01 2.25 0.02 0.00 -2.55 0.00 0.00 55.97 55.68 2p91 s LYS 77 Cb -0.02 -3.13 0.17 0.00 -1.05 0.00 0.00 37.83 33.81 2p91 s LYS 77 CO -0.00 -0.38 0.48 0.00 1.55 0.00 0.00 175.35 177.00 2p91 s ASP 79 N 2.66 6.47 0.07 0.00 -1.08 -1.26 -4.29 116.67 119.25 2p91 s ASP 79 Ca 0.12 0.05 0.18 0.00 -0.52 0.00 0.00 52.55 52.38 2p91 s ASP 79 Cb -0.13 -2.41 0.77 0.00 -1.46 0.00 0.00 42.92 39.69 2p91 s ASP 79 CO -0.26 -0.92 1.57 1.33 0.52 0.00 0.00 175.17 177.41 2p91 n VAL 80 N 6.16 0.87 0.57 1.11 0.24 -1.26 -1.55 118.33 124.47 2p91 n VAL 80 Ca 0.04 0.21 0.10 0.00 -2.04 0.00 0.00 64.34 62.65 2p91 n VAL 80 Cb 0.48 -0.99 0.43 0.00 -1.47 0.00 0.00 33.84 32.29 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 -1.71 0.28 -4.34 -1.34 3.41 -1.26 -4.70 113.62 103.96 2p91 n SER 81 Ca 0.03 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.83 2p91 n SER 81 Cb 0.21 -0.62 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.58 3.68 0.28 1.04 1.43 -0.60 -4.99 118.68 115.95 2p91 s LEU 82 Ca 0.08 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2p91 s LEU 82 Cb 0.11 -1.85 0.65 0.00 0.03 0.00 0.00 46.19 45.13 2p91 s LEU 82 CO 0.38 -0.16 1.70 0.44 0.23 0.00 0.00 176.35 178.94 2p91 h ASP 83 N 8.20 0.28 -0.54 2.29 3.32 -1.85 -1.80 116.42 126.32 2p91 h ASP 83 Ca -0.33 0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 2p91 h ASP 83 Cb 1.13 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2p91 h ASP 83 CO 0.60 0.01 0.17 1.05 -1.72 0.00 0.00 179.24 179.35 2p91 h GLU 84 N 0.39 0.89 -0.46 3.56 9.09 -1.94 -1.72 114.58 124.40 2p91 h GLU 84 Ca 0.52 -0.17 -0.08 0.00 0.05 0.00 0.00 59.36 59.67 2p91 h GLU 84 Cb 0.94 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.89 2p91 h GLU 84 CO -0.51 0.78 -0.05 -0.44 0.05 0.00 0.00 179.01 178.84 2p91 h ASP 85 N 0.86 0.76 -0.21 3.06 5.19 -1.61 -0.28 116.42 124.20 2p91 h ASP 85 Ca 0.19 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2p91 h ASP 85 Cb 0.27 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2p91 h ASP 85 CO -0.01 0.86 0.04 0.40 -3.12 0.00 0.00 179.24 177.41 2p91 h ILE 86 N 0.72 1.22 -0.78 0.35 1.08 -1.01 -1.23 117.51 117.87 2p91 h ILE 86 Ca 0.13 -0.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 2p91 h ILE 86 Cb 0.51 1.29 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 2p91 h ILE 86 CO 0.03 0.22 0.42 0.11 -0.69 0.00 0.00 178.15 178.24 2p91 h LYS 87 N 0.15 1.09 -0.59 2.37 1.57 -1.25 -2.41 116.57 117.50 2p91 h LYS 87 Ca 0.07 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2p91 h LYS 87 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2p91 h LYS 87 CO 0.00 0.81 0.26 -0.97 -0.57 0.00 0.00 179.45 178.98 2p91 h ASN 88 N 1.08 0.77 -0.49 0.86 -1.24 -0.96 -1.84 115.58 113.75 2p91 h ASN 88 Ca 0.27 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 2p91 h ASN 88 Cb 0.04 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2p91 h ASN 88 CO -0.04 0.67 0.30 0.25 -1.29 0.00 0.00 177.43 177.32 2p91 h LEU 89 N 0.84 0.59 -0.29 0.34 5.85 -0.85 -0.24 115.31 121.55 2p91 h LEU 89 Ca 0.21 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2p91 h LEU 89 Cb 0.12 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2p91 h LEU 89 CO -0.02 0.46 0.04 0.50 -0.34 0.00 0.00 178.44 179.08 2p91 h LYS 90 N 0.66 0.14 -0.36 1.25 3.64 -0.95 -1.63 116.57 119.32 2p91 h LYS 90 Ca 0.18 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2p91 h LYS 90 Cb -0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2p91 h LYS 90 CO -0.03 0.09 0.21 0.87 -2.27 0.00 0.00 179.45 178.32 2p91 h LYS 91 N 0.14 0.42 -0.81 1.90 6.56 -1.09 0.20 116.57 123.89 2p91 h LYS 91 Ca 0.14 -0.02 0.06 0.00 -1.06 0.00 0.00 60.65 59.76 2p91 h LYS 91 Cb 0.16 -0.09 -0.06 0.00 -0.57 0.00 0.00 32.23 31.66 2p91 h LYS 91 CO -0.19 0.27 0.49 0.35 -2.06 0.00 0.00 179.45 178.31 2p91 h PHE 92 N 0.43 0.91 -0.14 -1.35 3.57 -0.82 -0.43 116.94 119.11 2p91 h PHE 92 Ca 0.14 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 2p91 h PHE 92 Cb 0.00 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.46 2p91 h PHE 92 CO -0.07 0.46 -0.71 -0.07 -2.23 0.00 0.00 178.31 175.69 2p91 h LEU 93 N 0.90 0.86 -0.64 0.59 3.38 -0.96 -2.21 115.31 117.23 2p91 h LEU 93 Ca 0.35 -0.64 0.10 0.00 0.09 0.00 0.00 57.88 57.79 2p91 h LEU 93 Cb 0.17 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 2p91 h LEU 93 CO -0.17 1.36 0.24 -0.33 0.09 0.00 0.00 178.44 179.62 2p91 h GLU 94 N 0.42 0.40 -0.10 1.13 5.08 -0.36 0.84 114.58 121.98 2p91 h GLU 94 Ca -0.05 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 2p91 h GLU 94 Cb 1.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2p91 h GLU 94 CO 0.15 0.26 -0.78 0.93 -1.00 0.00 0.00 179.01 178.57 2p91 h GLU 95 N 0.41 0.60 0.00 2.33 5.08 -1.06 -2.53 114.58 119.41 2p91 h GLU 95 Ca 0.33 -0.51 -0.32 0.00 -1.00 0.00 0.00 59.36 57.87 2p91 h GLU 95 Cb 0.43 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2p91 h GLU 95 CO -0.33 1.13 -1.98 0.09 -1.00 0.00 0.00 179.01 176.91 2p91 n ASN 96 N -3.88 0.51 0.00 1.42 3.02 -0.84 -4.74 115.26 110.76 2p91 n ASN 96 Ca -0.06 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2p91 n ASN 96 Cb 0.74 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.91 0.00 -0.53 3.10 8.01 0.07 -5.03 117.44 120.14 2p91 n TRP 97 Ca -0.23 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.96 2p91 n TRP 97 Cb 1.09 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.39 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 3.14 1.82 3.75 6.99 0.00 0.06 -4.97 105.19 115.98 2p91 n GLY 98 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.40 -0.04 -0.15 1.61 1.04 -1.26 -4.93 113.70 106.56 2p91 s SER 99 Ca 0.00 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 55.34 2p91 s SER 99 Cb 0.00 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.90 2p91 s SER 99 CO 0.00 -1.40 0.48 -0.22 0.98 0.00 0.00 173.24 173.08 2p91 s LEU 100 N -3.01 0.17 -0.18 2.42 2.96 -0.40 -4.95 118.68 115.69 2p91 s LEU 100 Ca 0.16 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2p91 s LEU 100 Cb -0.04 1.68 -0.11 0.00 0.50 0.00 0.00 46.19 48.22 2p91 s LEU 100 CO 0.10 -0.24 -0.17 0.47 -1.32 0.00 0.00 176.35 175.19 2p91 n ASP 101 N 2.49 2.45 -3.99 3.68 8.00 0.02 -3.97 116.55 125.22 2p91 n ASP 101 Ca -0.15 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.13 2p91 n ASP 101 Cb 0.57 -0.32 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.36 0.51 -0.14 0.53 1.01 -0.75 -1.60 121.20 118.40 2p91 s ILE 102 Ca -0.25 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.07 2p91 s ILE 102 Cb 0.07 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.10 2p91 s ILE 102 CO 0.41 0.09 -0.20 -0.63 0.00 0.00 0.00 174.94 174.61 2p91 s ILE 103 N -0.27 2.26 -0.32 2.92 1.01 -0.74 -1.36 121.20 124.69 2p91 s ILE 103 Ca 0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2p91 s ILE 103 Cb -0.03 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2p91 s ILE 103 CO -0.00 0.54 0.16 -0.69 0.00 0.00 0.00 174.94 174.95 2p91 s VAL 104 N 0.74 4.56 -0.41 2.92 1.01 -0.10 -1.23 120.40 127.90 2p91 s VAL 104 Ca -0.08 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 2p91 s VAL 104 Cb -0.16 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.92 2p91 s VAL 104 CO 0.00 0.01 0.25 -2.28 0.00 0.00 0.00 175.10 173.08 2p91 s HIS 105 N 1.60 3.31 -0.54 5.22 5.04 0.68 -1.84 115.29 128.76 2p91 s HIS 105 Ca 0.04 -1.37 0.05 0.00 -1.54 0.00 0.00 55.06 52.24 2p91 s HIS 105 Cb -0.17 -2.82 0.20 0.00 0.04 0.00 0.00 32.58 29.82 2p91 s HIS 105 CO 0.06 -0.80 0.48 0.45 -2.34 0.00 0.00 174.74 172.60 2p91 n SER 106 N 4.94 1.38 -3.59 9.88 2.88 -1.25 -3.04 113.62 124.82 2p91 n SER 106 Ca -0.11 -2.86 -0.20 0.00 -1.33 0.00 0.00 58.87 54.38 2p91 n SER 106 Cb 0.44 -0.65 -0.15 0.00 -0.75 0.00 0.00 64.21 63.10 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 -1.03 -0.23 -0.19 2.46 1.01 -1.26 -3.85 121.20 118.10 2p91 s ILE 107 Ca 0.32 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 2p91 s ILE 107 Cb 0.05 -0.50 0.06 0.00 0.01 0.00 0.00 42.46 42.09 2p91 s ILE 107 CO -0.15 -0.09 0.46 0.00 0.00 0.00 0.00 174.94 175.16 2p91 s ALA 108 N 2.26 -1.18 -0.27 9.38 0.00 -1.26 -4.37 121.76 126.32 2p91 s ALA 108 Ca 0.04 1.65 -0.24 0.00 0.00 0.00 0.00 51.96 53.40 2p91 s ALA 108 Cb -0.14 -0.99 0.09 0.00 0.00 0.00 0.00 23.12 22.07 2p91 s ALA 108 CO -0.09 -0.28 0.80 -0.47 0.00 0.00 0.00 175.76 175.73 2p91 s TYR 109 N 1.34 -0.72 -0.01 0.00 5.04 -1.26 -4.98 117.35 116.77 2p91 s TYR 109 Ca -0.09 1.72 -0.04 0.00 -2.44 0.00 0.00 57.07 56.22 2p91 s TYR 109 Cb -0.07 0.31 -0.00 0.00 0.35 0.00 0.00 41.96 42.55 2p91 s TYR 109 CO -0.13 -0.35 0.08 0.00 -1.34 0.00 0.00 175.55 173.82 2p91 s ALA 110 N 0.41 -0.19 0.47 3.97 0.00 -1.26 -3.90 121.76 121.26 2p91 s ALA 110 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.61 2p91 s ALA 110 Cb -0.05 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 2p91 s ALA 110 CO -0.02 -0.15 1.07 -2.30 0.00 0.00 0.00 175.76 174.36 2p91 n PRO 111 N 1.98 1.40 0.25 0.00 -0.02 -1.26 -4.85 135.00 132.48 2p91 n PRO 111 Ca -0.20 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 2p91 n PRO 111 Cb 0.57 -2.17 0.60 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.43 0.00 -0.62 -0.52 2.10 -2.01 -1.17 116.57 115.78 2p91 h LYS 112 Ca -0.46 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.30 2p91 h LYS 112 Cb 1.33 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.62 2p91 h LYS 112 CO 0.56 0.09 0.42 0.93 -2.00 0.00 0.00 179.45 179.45 2p91 h GLU 113 N 0.00 0.36 0.00 0.07 4.39 -1.96 -2.28 114.58 115.15 2p91 h GLU 113 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2p91 h GLU 113 Cb 0.16 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2p91 h GLU 113 CO 0.01 0.24 -0.03 0.93 -1.16 0.00 0.00 179.01 179.00 2p91 h GLU 114 N 0.37 0.00 -0.00 2.33 4.39 -1.55 -2.27 114.58 117.84 2p91 h GLU 114 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2p91 h GLU 114 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2p91 h GLU 114 CO -0.08 0.03 -0.35 1.19 -1.16 0.00 0.00 179.01 178.64 2p91 n PHE 115 N -3.52 0.00 -2.88 4.33 3.72 -0.86 -4.58 117.46 113.67 2p91 n PHE 115 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 2p91 n PHE 115 Cb 0.13 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.35 2p91 n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2p91 s LYS 116 N -2.87 4.61 3.89 -1.08 1.02 -0.86 -4.72 119.74 119.74 2p91 s LYS 116 Ca 0.15 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.39 2p91 s LYS 116 Cb 0.18 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2p91 s LYS 116 CO 0.62 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.92 2p91 n GLY 117 N 1.16 0.67 3.82 -3.33 0.00 -1.26 -4.89 105.19 101.36 2p91 n GLY 117 Ca -0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2p91 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p91 n GLY 118 N 0.00 3.18 0.38 -0.02 0.00 -1.26 -4.55 105.19 102.93 2p91 n GLY 118 Ca 0.00 -2.34 0.15 0.00 0.00 0.00 0.00 46.02 43.83 2p91 n GLY 118 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2p91 h VAL 119 N 1.00 0.75 -0.27 1.61 2.07 -1.90 -1.15 116.25 118.37 2p91 h VAL 119 Ca -0.40 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.01 2p91 h VAL 119 Cb 1.31 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2p91 h VAL 119 CO 0.65 0.10 0.36 -0.29 0.02 0.00 0.00 177.57 178.41 2p91 h ILE 120 N 0.54 0.31 -0.12 4.57 2.10 -1.98 -0.94 117.51 122.00 2p91 h ILE 120 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.40 2p91 h ILE 120 Cb 0.94 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 2p91 h ILE 120 CO -0.20 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.34 2p91 n ASP 121 N -3.54 2.32 -4.72 2.19 8.00 -0.43 -4.96 116.55 115.40 2p91 n ASP 121 Ca 0.04 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.34 2p91 n ASP 121 Cb 0.50 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 2p91 n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2p91 s THR 122 N -1.86 2.28 0.51 -3.53 2.01 -0.36 -4.99 115.64 109.69 2p91 s THR 122 Ca 0.34 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 2p91 s THR 122 Cb 0.20 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 2p91 s THR 122 CO 0.31 0.01 0.98 -0.94 -0.69 0.00 0.00 174.62 174.29 2p91 s SER 123 N 1.26 6.66 0.11 3.53 1.04 -1.26 -4.94 113.70 120.09 2p91 s SER 123 Ca 0.73 1.58 -0.21 0.00 0.48 0.00 0.00 55.95 58.53 2p91 s SER 123 Cb -0.47 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.04 2p91 s SER 123 CO 0.32 -0.56 1.74 -0.09 0.98 0.00 0.00 173.24 175.62 2p91 h ARG 124 N 1.03 0.05 -0.60 4.02 2.43 -1.99 -0.52 114.38 118.80 2p91 h ARG 124 Ca -0.47 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 2p91 h ARG 124 Cb 1.18 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2p91 h ARG 124 CO 0.61 0.03 0.13 1.49 -1.51 0.00 0.00 179.97 180.73 2p91 h GLU 125 N 0.05 0.97 -0.69 0.20 4.57 -1.99 -0.77 114.58 116.92 2p91 h GLU 125 Ca 0.04 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2p91 h GLU 125 Cb 0.04 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2p91 h GLU 125 CO -0.06 0.89 0.39 0.78 -1.18 0.00 0.00 179.01 179.83 2p91 h GLY 126 N 0.87 1.02 0.80 1.92 0.00 -1.93 -0.10 103.07 105.65 2p91 h GLY 126 Ca 0.19 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.08 2p91 h GLY 126 CO 0.00 0.43 -0.04 -2.75 0.00 0.00 0.00 176.54 174.19 2p91 h PHE 127 N 0.94 -0.08 -0.43 5.60 3.57 -0.91 -0.31 116.94 125.32 2p91 h PHE 127 Ca 0.24 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.80 2p91 h PHE 127 Cb 0.02 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2p91 h PHE 127 CO -0.01 -0.06 0.19 -0.22 -2.23 0.00 0.00 178.31 175.98 2p91 h LYS 128 N -0.03 0.37 -0.01 1.11 3.64 -0.73 -1.68 116.57 119.24 2p91 h LYS 128 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2p91 h LYS 128 Cb 0.09 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2p91 h LYS 128 CO -0.10 0.25 0.01 0.82 -2.27 0.00 0.00 179.45 178.15 2p91 h ILE 129 N 0.38 1.11 -0.31 2.00 2.04 -0.91 -1.26 117.51 120.56 2p91 h ILE 129 Ca 0.19 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2p91 h ILE 129 Cb 0.14 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 2p91 h ILE 129 CO -0.17 0.09 -0.16 0.00 0.00 0.00 0.00 178.15 177.91 2p91 h ALA 130 N 0.87 0.08 -0.61 1.87 0.00 -0.79 -1.28 119.26 119.39 2p91 h ALA 130 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2p91 h ALA 130 Cb 0.14 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2p91 h ALA 130 CO -0.00 -0.55 0.11 0.52 0.00 0.00 0.00 179.25 179.34 2p91 h MET 131 N -0.11 1.00 -0.09 0.00 2.86 -1.25 -0.05 114.93 117.29 2p91 h MET 131 Ca 0.16 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2p91 h MET 131 Cb 0.36 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2p91 h MET 131 CO -0.38 0.93 -0.01 0.22 1.06 0.00 0.00 176.91 178.73 2p91 h ASP 132 N 0.91 0.16 -0.08 1.22 3.58 -0.86 -0.87 116.42 120.49 2p91 h ASP 132 Ca 0.19 -0.34 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 2p91 h ASP 132 Cb 0.41 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2p91 h ASP 132 CO 0.01 0.46 -0.35 0.40 -2.88 0.00 0.00 179.24 176.88 2p91 h ILE 133 N -0.15 1.41 0.00 2.25 1.08 -1.26 -1.96 117.51 118.88 2p91 h ILE 133 Ca 0.02 -1.73 -0.02 0.00 -0.39 0.00 0.00 64.86 62.75 2p91 h ILE 133 Cb 0.39 2.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2p91 h ILE 133 CO 0.01 0.50 -0.44 0.28 -0.69 0.00 0.00 178.15 177.81 2p91 h SER 134 N -0.10 0.00 0.00 1.72 0.02 -1.07 -3.38 113.55 110.75 2p91 h SER 134 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2p91 h SER 134 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2p91 h SER 134 CO 0.07 0.07 -0.18 0.52 -1.14 0.00 0.00 176.83 176.17 2p91 n VAL 135 N -2.96 0.64 -0.19 2.27 0.31 -0.43 -4.81 118.33 113.17 2p91 n VAL 135 Ca 0.02 0.21 0.05 0.00 -0.01 0.00 0.00 64.34 64.61 2p91 n VAL 135 Cb 0.57 -1.25 0.32 0.00 -0.91 0.00 0.00 33.84 32.58 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 0.81 -0.92 3.52 3.20 -1.11 -1.94 116.97 120.53 2p91 h TYR 136 Ca 0.00 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.09 2p91 h TYR 136 Cb 0.18 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 2p91 h TYR 136 CO 0.00 0.45 0.60 0.66 -1.64 0.00 0.00 178.16 178.24 2p91 h SER 137 N 0.82 0.47 -0.41 -2.11 4.64 -1.53 -0.31 113.55 115.11 2p91 h SER 137 Ca 0.30 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 2p91 h SER 137 Cb 0.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2p91 h SER 137 CO -0.09 0.18 0.16 0.25 -0.87 0.00 0.00 176.83 176.47 2p91 h LEU 138 N 0.46 0.57 -0.30 5.97 5.85 -1.64 -0.81 115.31 125.41 2p91 h LEU 138 Ca 0.48 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2p91 h LEU 138 Cb 1.12 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2p91 h LEU 138 CO -0.20 0.58 0.19 0.40 -0.34 0.00 0.00 178.44 179.07 2p91 h ILE 139 N 0.52 1.06 -0.29 4.05 2.04 -1.16 -1.08 117.51 122.65 2p91 h ILE 139 Ca 0.14 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2p91 h ILE 139 Cb 0.19 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2p91 h ILE 139 CO -0.01 0.07 0.10 0.00 0.00 0.00 0.00 178.15 178.31 2p91 h ALA 140 N 1.12 0.38 -0.35 1.87 0.00 -1.19 -0.10 119.26 120.99 2p91 h ALA 140 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2p91 h ALA 140 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2p91 h ALA 140 CO -0.03 -0.00 0.17 -0.07 0.00 0.00 0.00 179.25 179.31 2p91 h LEU 141 N 0.31 0.46 0.11 0.00 3.38 -1.12 -1.84 115.31 116.62 2p91 h LEU 141 Ca 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2p91 h LEU 141 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2p91 h LEU 141 CO -0.01 0.46 -0.05 0.74 0.09 0.00 0.00 178.44 179.67 2p91 h THR 142 N 0.44 0.91 -0.17 0.22 2.02 -1.07 -0.50 112.91 114.76 2p91 h THR 142 Ca 0.12 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.26 2p91 h THR 142 Cb 0.12 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2p91 h THR 142 CO -0.02 0.02 -0.08 -0.09 0.37 0.00 0.00 175.52 175.73 2p91 h ARG 143 N -0.18 -0.06 -0.26 6.66 2.43 -1.00 -1.04 114.38 120.93 2p91 h ARG 143 Ca -0.02 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2p91 h ARG 143 Cb 0.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2p91 h ARG 143 CO 0.02 -0.04 -0.36 1.49 -1.51 0.00 0.00 179.97 179.57 2p91 h GLU 144 N -0.06 0.58 0.00 0.20 4.57 -1.22 -3.24 114.58 115.41 2p91 h GLU 144 Ca 0.09 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2p91 h GLU 144 Cb 0.20 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2p91 h GLU 144 CO -0.21 0.86 -0.99 1.28 -1.18 0.00 0.00 179.01 178.77 2p91 n LEU 145 N -4.05 0.71 -0.22 1.64 4.77 -0.21 -4.41 117.00 115.24 2p91 n LEU 145 Ca -0.01 -0.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.75 2p91 n LEU 145 Cb 0.49 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.63 2p91 n LEU 145 CO 0.45 0.15 0.97 0.25 -1.33 0.00 0.00 177.39 177.87 2p91 h LEU 146 N 0.00 0.16 -1.03 2.23 5.85 -1.21 -2.02 115.31 119.29 2p91 h LEU 146 Ca 0.00 0.10 0.20 0.00 0.84 0.00 0.00 57.88 59.02 2p91 h LEU 146 Cb 0.60 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.62 2p91 h LEU 146 CO 0.00 0.08 0.61 -0.65 -0.34 0.00 0.00 178.44 178.14 2p91 h PRO 147 N 0.36 0.70 0.00 5.25 0.11 -1.79 0.14 132.00 136.77 2p91 h PRO 147 Ca 0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 2p91 h PRO 147 Cb 0.47 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 2p91 h PRO 147 CO -0.37 0.46 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.80 2p91 h LEU 148 N 0.72 0.00 -0.56 2.35 3.38 -1.66 -2.33 115.31 117.21 2p91 h LEU 148 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2p91 h LEU 148 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2p91 h LEU 148 CO -0.39 0.02 -0.17 0.23 0.09 0.00 0.00 178.44 178.22 2p91 n MET 149 N -3.61 1.03 -1.67 1.13 2.81 0.49 -1.27 117.12 116.03 2p91 n MET 149 Ca -0.03 -0.56 -0.46 0.00 -1.81 0.00 0.00 57.70 54.84 2p91 n MET 149 Cb 0.11 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 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 -0.50 2.14 -1.00 0.03 4.07 -0.88 -0.60 120.64 123.90 2p91 n GLU 150 Ca 0.14 0.77 -0.00 0.00 -0.06 0.00 0.00 57.16 58.01 2p91 n GLU 150 Cb 0.33 -2.53 -0.00 0.00 -0.06 0.00 0.00 31.44 29.18 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 3.33 0.25 0.00 8.31 0.00 -1.26 -4.88 105.19 110.94 2p91 n GLY 151 Ca 0.17 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2p91 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p91 n ARG 152 N -0.95 0.36 -3.29 1.61 5.12 0.23 -5.02 116.66 114.71 2p91 n ARG 152 Ca -0.00 -0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 55.77 2p91 n ARG 152 Cb 0.26 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2p91 n ARG 152 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2p91 n ASN 153 N -1.73 -6.84 -4.58 0.55 3.02 -1.26 -4.99 115.26 99.43 2p91 n ASN 153 Ca 0.01 -0.34 -0.27 0.00 -0.03 0.00 0.00 54.58 53.95 2p91 n ASN 153 Cb 0.39 -4.12 0.12 0.00 -0.61 0.00 0.00 39.78 35.57 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 -2.97 1.73 -0.05 7.41 0.00 -1.25 -4.90 107.32 107.28 2p91 s GLY 154 Ca 0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.52 2p91 s GLY 154 CO 0.80 -0.59 0.13 0.00 0.00 0.00 0.00 173.10 173.44 2p91 s ALA 155 N -3.49 -0.31 0.01 3.20 0.00 -0.63 -1.17 121.76 119.37 2p91 s ALA 155 Ca 0.67 0.40 0.08 0.00 0.00 0.00 0.00 51.96 53.11 2p91 s ALA 155 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2p91 s ALA 155 CO 0.48 -0.07 -0.26 0.42 0.00 0.00 0.00 175.76 176.33 2p91 s ILE 156 N 0.22 2.06 -0.01 0.00 1.01 0.83 -1.80 121.20 123.51 2p91 s ILE 156 Ca -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 60.65 59.46 2p91 s ILE 156 Cb -0.02 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2p91 s ILE 156 CO -0.01 0.49 -0.08 0.54 0.00 0.00 0.00 174.94 175.88 2p91 s VAL 157 N -0.68 0.66 0.34 2.92 0.11 -0.36 -1.64 120.40 121.75 2p91 s VAL 157 Ca 0.10 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 2p91 s VAL 157 Cb -0.10 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.12 2p91 s VAL 157 CO 0.00 0.19 0.03 0.28 -3.33 0.00 0.00 175.10 172.27 2p91 s THR 158 N -0.11 1.46 -0.09 5.04 -1.32 -0.57 -0.23 115.64 119.82 2p91 s THR 158 Ca 0.02 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 2p91 s THR 158 Cb -0.04 -2.81 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 2p91 s THR 158 CO -0.00 -0.04 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.54 2p91 s LEU 159 N -3.54 3.12 0.00 9.08 2.01 -1.17 -0.44 118.68 127.74 2p91 s LEU 159 Ca 0.35 -0.08 0.01 0.00 0.01 0.00 0.00 54.13 54.43 2p91 s LEU 159 Cb 0.08 -1.69 -0.01 0.00 0.01 0.00 0.00 46.19 44.59 2p91 s LEU 159 CO 0.16 0.31 0.05 -0.24 1.01 0.00 0.00 176.35 177.64 2p91 n SER 160 N 2.59 0.69 -3.64 2.29 2.88 0.92 -4.90 113.62 114.44 2p91 n SER 160 Ca -0.18 -1.62 -0.14 0.00 -1.33 0.00 0.00 58.87 55.60 2p91 n SER 160 Cb 0.53 0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 64.27 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 -2.09 -0.35 0.62 0.66 5.04 -1.26 -1.63 117.35 118.34 2p91 s TYR 161 Ca 0.07 0.44 0.29 0.00 -2.44 0.00 0.00 57.07 55.44 2p91 s TYR 161 Cb 0.00 0.25 1.54 0.00 0.35 0.00 0.00 41.96 44.10 2p91 s TYR 161 CO 0.05 -0.55 1.92 -0.92 -1.34 0.00 0.00 175.55 174.71 2p91 h TYR 162 N 3.17 0.00 0.00 4.97 3.20 -1.90 -0.22 116.97 126.19 2p91 h TYR 162 Ca -0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2p91 h TYR 162 Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2p91 h TYR 162 CO 0.42 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.35 2p91 n GLY 163 N -1.40 -0.89 0.20 1.82 0.00 -1.26 -1.01 105.19 102.65 2p91 n GLY 163 Ca 0.04 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2p91 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p91 h ALA 164 N 2.06 1.29 0.00 4.61 0.00 -1.15 -3.37 119.26 122.69 2p91 h ALA 164 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 2p91 h ALA 164 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2p91 h ALA 164 CO 0.00 0.51 -1.72 -0.85 0.00 0.00 0.00 179.25 177.19 2p91 n GLU 165 N -4.09 2.18 -4.31 0.00 0.28 -0.18 -4.35 120.64 110.17 2p91 n GLU 165 Ca -0.02 -0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.81 2p91 n GLU 165 Cb 0.42 -1.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.92 2p91 n GLU 165 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2p91 s LYS 166 N -2.28 1.26 -0.21 3.44 -0.14 -0.58 -5.11 119.74 116.12 2p91 s LYS 166 Ca -0.05 -1.60 -0.29 0.00 -1.36 0.00 0.00 55.97 52.66 2p91 s LYS 166 Cb 0.03 -0.71 -0.01 0.00 -1.68 0.00 0.00 37.83 35.47 2p91 s LYS 166 CO 0.44 -0.01 1.33 0.08 -0.76 0.00 0.00 175.35 176.43 2p91 s VAL 167 N -3.32 4.14 -0.36 3.17 1.01 -1.26 -4.13 120.40 119.65 2p91 s VAL 167 Ca 0.24 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.52 2p91 s VAL 167 Cb 0.04 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.50 2p91 s VAL 167 CO 0.06 -0.26 0.12 -0.69 0.00 0.00 0.00 175.10 174.33 2p91 s VAL 168 N 3.98 3.43 0.31 2.92 1.01 -1.26 -5.01 120.40 125.79 2p91 s VAL 168 Ca 0.58 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 2p91 s VAL 168 Cb -0.21 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.94 2p91 s VAL 168 CO 0.20 -0.36 1.19 -2.65 0.00 0.00 0.00 175.10 173.48 2p91 n PRO 169 N 4.70 1.81 0.00 2.72 -0.02 -1.26 -1.11 135.00 141.83 2p91 n PRO 169 Ca -0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2p91 n PRO 169 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.43 0.00 0.10 6.00 8.25 -1.26 -4.81 115.22 123.92 2p91 n HIS 170 Ca 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.50 2p91 n HIS 170 Cb 0.34 -0.07 0.18 0.00 1.12 0.00 0.00 29.99 31.56 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 0.26 0.00 4.41 3.20 -1.44 -3.43 116.97 119.97 2p91 h TYR 171 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2p91 h TYR 171 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2p91 h TYR 171 CO 0.00 0.68 0.00 0.09 -1.64 0.00 0.00 178.16 177.29 2p91 n ASN 172 N -3.94 0.00 0.25 -2.11 3.02 -1.26 -1.59 115.26 109.63 2p91 n ASN 172 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.64 2p91 n ASN 172 Cb 0.55 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.44 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 0.83 0.00 2.41 3.04 -1.89 0.23 116.25 120.88 2p91 h VAL 173 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2p91 h VAL 173 Cb 0.00 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 2p91 h VAL 173 CO 0.00 0.00 -0.24 -0.03 -1.01 0.00 0.00 177.57 176.29 2p91 h MET 174 N 0.00 0.00 -0.30 4.17 -1.53 -1.67 0.17 114.93 115.77 2p91 h MET 174 Ca 0.02 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.16 2p91 h MET 174 Cb 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 2p91 h MET 174 CO -0.00 0.24 -0.31 0.78 0.14 0.00 0.00 176.91 177.76 2p91 h GLY 175 N 1.02 0.70 0.70 1.39 0.00 -0.98 0.11 103.07 106.02 2p91 h GLY 175 Ca -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 2p91 h GLY 175 CO 0.03 0.59 -0.07 -2.22 0.00 0.00 0.00 176.54 174.87 2p91 h ILE 176 N 0.55 1.33 -0.67 2.60 2.04 -1.33 -2.44 117.51 119.58 2p91 h ILE 176 Ca 0.06 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2p91 h ILE 176 Cb 0.81 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 2p91 h ILE 176 CO 0.07 0.32 0.42 0.00 0.00 0.00 0.00 178.15 178.96 2p91 h ALA 177 N 0.64 0.87 -0.22 1.87 0.00 -0.50 -1.45 119.26 120.46 2p91 h ALA 177 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2p91 h ALA 177 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2p91 h ALA 177 CO 0.02 0.19 -0.41 0.87 0.00 0.00 0.00 179.25 179.92 2p91 h LYS 178 N 0.82 0.53 -0.60 0.00 1.79 -0.82 0.78 116.57 119.07 2p91 h LYS 178 Ca 0.27 -0.27 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2p91 h LYS 178 Cb 0.01 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2p91 h LYS 178 CO -0.10 0.85 0.40 0.00 -1.08 0.00 0.00 179.45 179.51 2p91 h ALA 179 N 1.12 0.76 -0.77 3.86 0.00 -1.16 -1.39 119.26 121.68 2p91 h ALA 179 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2p91 h ALA 179 Cb 0.90 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2p91 h ALA 179 CO 0.08 0.19 0.41 0.00 0.00 0.00 0.00 179.25 179.93 2p91 h ALA 180 N 1.22 0.98 -0.48 0.00 0.00 -0.85 -2.60 119.26 117.54 2p91 h ALA 180 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2p91 h ALA 180 Cb -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2p91 h ALA 180 CO -0.05 0.51 0.31 1.25 0.00 0.00 0.00 179.25 181.27 2p91 h LEU 181 N 1.07 0.55 -0.91 0.00 5.85 -0.57 0.08 115.31 121.38 2p91 h LEU 181 Ca 0.27 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 2p91 h LEU 181 Cb 0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2p91 h LEU 181 CO -0.04 0.40 0.04 -0.33 -0.34 0.00 0.00 178.44 178.17 2p91 h GLU 182 N 0.65 0.84 -0.69 1.25 5.08 -1.13 -0.29 114.58 120.30 2p91 h GLU 182 Ca 0.17 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2p91 h GLU 182 Cb -0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2p91 h GLU 182 CO -0.04 0.82 0.17 1.03 -1.00 0.00 0.00 179.01 179.98 2p91 h SER 183 N 0.79 1.03 -0.68 1.42 0.87 -1.19 -2.67 113.55 113.13 2p91 h SER 183 Ca 0.16 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2p91 h SER 183 Cb 0.41 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2p91 h SER 183 CO 0.01 0.99 0.40 0.74 -0.53 0.00 0.00 176.83 178.44 2p91 h THR 184 N 1.04 1.20 -0.50 2.23 2.02 -0.32 -1.55 112.91 117.03 2p91 h THR 184 Ca 0.22 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 67.01 2p91 h THR 184 Cb 0.36 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 2p91 h THR 184 CO 0.00 0.21 0.14 0.58 0.37 0.00 0.00 175.52 176.83 2p91 h VAL 185 N 0.93 0.78 0.13 3.16 2.07 -0.91 0.59 116.25 123.00 2p91 h VAL 185 Ca 0.24 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2p91 h VAL 185 Cb -0.01 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2p91 h VAL 185 CO -0.04 0.05 -0.08 0.03 0.02 0.00 0.00 177.57 177.55 2p91 h ARG 186 N 0.30 -0.19 -0.60 1.57 3.08 -1.06 -0.34 114.38 117.14 2p91 h ARG 186 Ca 0.24 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2p91 h ARG 186 Cb 0.29 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2p91 h ARG 186 CO -0.28 -0.13 0.20 1.88 -1.07 0.00 0.00 179.97 180.58 2p91 h TYR 187 N -0.20 0.95 -0.60 3.04 0.05 -1.02 -2.48 116.97 116.71 2p91 h TYR 187 Ca -0.01 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.63 2p91 h TYR 187 Cb 0.17 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2p91 h TYR 187 CO -0.08 0.78 0.19 -0.07 -1.05 0.00 0.00 178.16 177.92 2p91 h LEU 188 N 0.84 0.84 -0.48 3.88 3.38 -0.82 -1.34 115.31 121.61 2p91 h LEU 188 Ca 0.19 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2p91 h LEU 188 Cb 0.26 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2p91 h LEU 188 CO -0.01 0.79 0.24 0.00 0.09 0.00 0.00 178.44 179.55 2p91 h ALA 189 N 1.32 0.60 -0.44 1.53 0.00 -0.65 0.86 119.26 122.48 2p91 h ALA 189 Ca 0.20 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2p91 h ALA 189 Cb 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2p91 h ALA 189 CO -0.01 -0.12 0.22 -0.92 0.00 0.00 0.00 179.25 178.42 2p91 h TYR 190 N 0.47 0.40 -0.12 0.00 3.20 -1.04 -2.25 116.97 117.62 2p91 h TYR 190 Ca 0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2p91 h TYR 190 Cb 0.12 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2p91 h TYR 190 CO -0.11 0.20 0.07 -0.44 -1.64 0.00 0.00 178.16 176.24 2p91 h ASP 191 N 0.43 0.15 0.74 -2.11 3.32 -0.50 -3.33 116.42 115.13 2p91 h ASP 191 Ca 0.19 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2p91 h ASP 191 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2p91 h ASP 191 CO -0.14 0.18 -0.74 2.30 -1.72 0.00 0.00 179.24 179.12 2p91 n ILE 192 N -4.96 0.30 0.19 0.35 -5.35 0.23 -3.61 119.36 106.51 2p91 n ILE 192 Ca -0.05 -0.27 0.09 0.00 -0.27 0.00 0.00 62.75 62.26 2p91 n ILE 192 Cb 0.07 -0.04 0.62 0.00 -1.74 0.00 0.00 39.64 38.55 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 2.52 2.04 -0.06 -1.28 0.00 -1.45 -0.56 119.26 120.47 2p91 h ALA 193 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2p91 h ALA 193 Cb 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2p91 h ALA 193 CO 0.00 -0.06 0.07 0.87 0.00 0.00 0.00 179.25 180.12 2p91 h LYS 194 N 0.07 0.00 -0.35 0.00 1.57 -1.75 -1.60 116.57 114.51 2p91 h LYS 194 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2p91 h LYS 194 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2p91 h LYS 194 CO -0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 2p91 n HIS 195 N -3.81 0.46 -0.41 -1.35 8.25 -0.25 -4.98 115.22 113.13 2p91 n HIS 195 Ca -0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 2p91 n HIS 195 Cb 0.16 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.93 0.79 3.74 -1.41 0.00 -0.60 -4.57 105.19 104.07 2p91 n GLY 196 Ca 0.14 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 2.84 0.14 1.61 3.76 -1.01 -3.96 115.29 116.68 2p91 s HIS 197 Ca 0.00 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 54.75 2p91 s HIS 197 Cb 0.00 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 2p91 s HIS 197 CO 0.00 0.48 -0.18 1.03 -0.85 0.00 0.00 174.74 175.21 2p91 s ARG 198 N -3.80 1.20 -0.10 1.40 0.52 -0.32 -3.52 118.95 114.32 2p91 s ARG 198 Ca 0.34 -1.32 -0.06 0.00 -0.52 0.00 0.00 55.73 54.17 2p91 s ARG 198 Cb -0.06 -1.27 0.04 0.00 0.52 0.00 0.00 34.95 34.18 2p91 s ARG 198 CO 0.23 0.27 0.25 -1.50 0.02 0.00 0.00 175.30 174.56 2p91 s ILE 199 N -1.86 -0.03 0.15 1.52 2.07 -1.26 -0.12 121.20 121.67 2p91 s ILE 199 Ca 0.12 0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.46 2p91 s ILE 199 Cb -0.07 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2p91 s ILE 199 CO 0.05 0.05 0.08 0.20 -1.91 0.00 0.00 174.94 173.41 2p91 s ASN 200 N 0.98 0.26 0.03 4.50 0.01 -0.65 -0.04 114.94 120.02 2p91 s ASN 200 Ca -0.07 -1.24 0.09 0.00 -0.71 0.00 0.00 52.86 50.92 2p91 s ASN 200 Cb -0.08 0.32 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 2p91 s ASN 200 CO -0.06 -0.77 -0.26 0.00 -1.51 0.00 0.00 177.10 174.50 2p91 s ALA 201 N -4.08 2.18 -0.29 0.60 0.00 0.18 -1.52 121.76 118.84 2p91 s ALA 201 Ca 0.28 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 2p91 s ALA 201 Cb 0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2p91 s ALA 201 CO 0.04 0.52 0.16 0.42 0.00 0.00 0.00 175.76 176.91 2p91 s ILE 202 N -0.74 4.92 -0.59 0.00 1.01 0.41 -1.15 121.20 125.06 2p91 s ILE 202 Ca 0.11 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 2p91 s ILE 202 Cb -0.10 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 39.04 2p91 s ILE 202 CO 0.01 0.18 0.82 -0.55 0.00 0.00 0.00 174.94 175.40 2p91 s SER 203 N 1.69 6.21 0.06 3.58 0.15 0.12 -0.06 113.70 125.45 2p91 s SER 203 Ca 0.06 -0.98 -0.15 0.00 0.70 0.00 0.00 55.95 55.58 2p91 s SER 203 Cb -0.16 -2.36 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 2p91 s SER 203 CO 0.08 -1.20 0.46 0.00 1.20 0.00 0.00 173.24 173.78 2p91 s ALA 204 N 3.37 3.66 1.07 5.45 0.00 -0.65 -0.64 121.76 134.03 2p91 s ALA 204 Ca 0.19 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 2p91 s ALA 204 Cb -0.19 -2.44 0.23 0.00 0.00 0.00 0.00 23.12 20.72 2p91 s ALA 204 CO 0.11 0.48 1.17 0.20 0.00 0.00 0.00 175.76 177.71 2p91 s GLY 205 N -1.32 1.63 0.37 0.00 0.00 0.04 -4.53 107.32 103.50 2p91 s GLY 205 Ca 0.29 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 2p91 s GLY 205 CO 0.16 -0.12 1.50 -4.14 0.00 0.00 0.00 173.10 170.51 2p91 s PRO 206 N -5.47 4.11 -1.30 2.90 0.02 -1.26 -4.75 135.00 129.24 2p91 s PRO 206 Ca 0.70 2.57 -0.09 0.00 0.02 0.00 0.00 61.00 64.21 2p91 s PRO 206 Cb -0.10 -2.97 0.15 0.00 0.02 0.00 0.00 34.50 31.60 2p91 s PRO 206 CO 0.55 -0.55 2.02 0.28 -0.33 0.00 0.00 177.00 178.98 2p91 n VAL 207 N 0.64 4.51 0.00 3.83 0.31 -1.26 -1.82 118.33 124.55 2p91 n VAL 207 Ca 0.02 -4.30 0.00 0.00 -0.01 0.00 0.00 64.34 60.05 2p91 n VAL 207 Cb 0.39 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 2p91 n VAL 207 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2p91 n PRO 234 N 3.45 0.00 -2.68 5.55 -0.02 -1.26 -4.99 135.00 135.05 2p91 n PRO 234 Ca 0.46 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 2p91 n PRO 234 Cb 0.34 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 33.92 2p91 n PRO 234 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2p91 s ILE 235 N -1.26 2.09 0.33 4.25 -4.36 -0.75 -5.00 121.20 116.50 2p91 s ILE 235 Ca 0.00 -0.68 0.09 0.00 -0.26 0.00 0.00 60.65 59.80 2p91 s ILE 235 Cb 0.00 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.25 2p91 s ILE 235 CO 0.00 0.00 0.08 0.42 0.24 0.00 0.00 174.94 175.68 2p91 s THR 236 N -3.07 2.91 0.33 8.37 -4.23 -1.26 -4.95 115.64 113.73 2p91 s THR 236 Ca 0.66 -1.82 0.30 0.00 -1.18 0.00 0.00 61.69 59.66 2p91 s THR 236 Cb -0.05 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.21 2p91 s THR 236 CO 0.44 -0.20 2.04 0.16 -0.54 0.00 0.00 174.62 176.52 2p91 h ILE 237 N 1.67 0.38 -0.11 2.99 3.07 -1.94 -2.45 117.51 121.11 2p91 h ILE 237 Ca -0.43 -0.58 -0.16 0.00 1.55 0.00 0.00 64.86 65.24 2p91 h ILE 237 Cb 1.25 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 39.21 2p91 h ILE 237 CO 0.64 0.10 -0.62 -0.33 -1.05 0.00 0.00 178.15 176.90 2p91 h GLU 238 N 0.00 0.40 -0.45 0.16 3.07 -1.93 -0.81 114.58 115.01 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 0.41 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 2p91 h GLU 238 CO 0.01 0.89 0.24 -0.44 -1.40 0.00 0.00 179.01 178.31 2p91 h ASP 239 N 0.29 0.36 -0.20 1.42 3.32 -1.84 -0.55 116.42 119.22 2p91 h ASP 239 Ca -0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2p91 h ASP 239 Cb 1.15 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2p91 h ASP 239 CO 0.11 0.26 0.10 0.58 -1.72 0.00 0.00 179.24 178.56 2p91 h VAL 240 N 0.48 1.13 -0.32 -1.35 2.07 -1.46 -2.56 116.25 114.24 2p91 h VAL 240 Ca 0.19 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2p91 h VAL 240 Cb 0.07 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2p91 h VAL 240 CO -0.12 0.13 0.20 1.23 0.02 0.00 0.00 177.57 179.03 2p91 h GLY 241 N 0.20 0.44 1.42 2.17 0.00 -0.85 0.21 103.07 106.67 2p91 h GLY 241 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2p91 h GLY 241 CO -0.01 0.14 -0.14 -0.55 0.00 0.00 0.00 176.54 175.98 2p91 h ASP 242 N 0.40 0.68 -0.47 0.19 3.32 -1.15 -0.54 116.42 118.84 2p91 h ASP 242 Ca 0.12 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 2p91 h ASP 242 Cb -0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2p91 h ASP 242 CO -0.04 0.84 0.05 0.74 -1.72 0.00 0.00 179.24 179.10 2p91 h THR 243 N 0.62 1.25 -0.85 0.35 2.02 -1.06 -2.73 112.91 112.52 2p91 h THR 243 Ca 0.10 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.35 2p91 h THR 243 Cb 0.59 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 2p91 h THR 243 CO 0.04 0.34 0.54 0.00 0.37 0.00 0.00 175.52 176.81 2p91 h ALA 244 N 0.94 1.14 -0.08 6.16 0.00 -0.22 -0.98 119.26 126.22 2p91 h ALA 244 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2p91 h ALA 244 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2p91 h ALA 244 CO 0.01 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.85 2p91 h VAL 245 N 1.03 0.88 -0.06 0.00 2.07 -0.99 0.55 116.25 119.73 2p91 h VAL 245 Ca 0.35 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.89 2p91 h VAL 245 Cb 0.06 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2p91 h VAL 245 CO -0.13 0.00 -0.05 0.15 0.02 0.00 0.00 177.57 177.56 2p91 h PHE 246 N -0.03 -0.11 0.00 1.57 3.57 -1.16 -0.74 116.94 120.04 2p91 h PHE 246 Ca 0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2p91 h PHE 246 Cb 0.10 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2p91 h PHE 246 CO -0.15 -0.07 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.57 2p91 h LEU 247 N -0.06 0.00 -2.00 0.59 3.38 -0.92 -1.80 115.31 114.49 2p91 h LEU 247 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2p91 h LEU 247 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2p91 h LEU 247 CO -0.09 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.65 2p91 s SER 249 N -1.44 5.88 0.18 0.00 1.04 -0.32 -4.78 113.70 114.26 2p91 s SER 249 Ca 0.37 -0.10 0.19 0.00 0.48 0.00 0.00 55.95 56.89 2p91 s SER 249 Cb 0.21 -1.23 0.84 0.00 0.10 0.00 0.00 66.02 65.95 2p91 s SER 249 CO 0.30 -0.55 1.59 0.47 0.98 0.00 0.00 173.24 176.03 2p91 n ASP 250 N -1.78 0.43 0.26 7.02 8.00 -1.26 -2.04 116.55 127.18 2p91 n ASP 250 Ca 0.01 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.25 2p91 n ASP 250 Cb 0.58 -0.71 0.70 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.69 1.24 4.06 -1.95 -2.64 115.95 115.97 2p91 h TRP 251 Ca 0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 2p91 h TRP 251 Cb 0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.32 2p91 h TRP 251 CO 0.00 0.13 0.23 0.00 -3.56 0.00 0.00 178.44 175.24 2p91 n ALA 252 N -2.30 4.42 0.29 1.49 0.00 -0.86 -4.67 120.51 118.87 2p91 n ALA 252 Ca -0.02 -2.17 0.18 0.00 0.00 0.00 0.00 53.44 51.44 2p91 n ALA 252 Cb 0.24 -1.23 0.98 0.00 0.00 0.00 0.00 19.45 19.44 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 2.79 0.00 -0.48 0.00 0.11 -1.61 0.30 114.38 115.49 2p91 h ARG 253 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2p91 h ARG 253 Cb 2.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.32 2p91 h ARG 253 CO 0.68 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.75 2p91 n ALA 254 N -2.17 2.42 -3.61 0.08 0.00 -1.26 -4.89 120.51 111.08 2p91 n ALA 254 Ca -0.01 -1.02 -0.35 0.00 0.00 0.00 0.00 53.44 52.05 2p91 n ALA 254 Cb 0.20 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.38 3.11 -0.03 0.00 1.01 0.09 -5.09 121.20 118.92 2p91 s ILE 255 Ca 0.41 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2p91 s ILE 255 Cb 0.23 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 40.21 2p91 s ILE 255 CO 0.31 0.29 0.35 0.28 0.00 0.00 0.00 174.94 176.17 2p91 s THR 256 N 1.40 0.05 -1.48 2.92 -1.32 -1.26 -4.70 115.64 111.24 2p91 s THR 256 Ca 0.03 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2p91 s THR 256 Cb -0.16 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2p91 s THR 256 CO -0.04 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 2p91 n GLY 257 N 1.37 1.14 3.92 6.08 0.00 0.94 -4.98 105.19 113.66 2p91 n GLY 257 Ca -0.21 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.54 3.41 -0.25 1.61 2.56 -1.26 -4.65 118.70 116.58 2p91 s GLU 258 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.97 54.47 2p91 s GLU 258 Cb 0.00 -3.01 0.02 0.00 2.00 0.00 0.00 34.13 33.14 2p91 s GLU 258 CO 0.00 0.60 -0.04 0.08 -0.56 0.00 0.00 175.26 175.34 2p91 s VAL 259 N -1.54 3.09 -0.24 3.70 1.01 -1.26 -0.65 120.40 124.52 2p91 s VAL 259 Ca 0.35 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 2p91 s VAL 259 Cb -0.13 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2p91 s VAL 259 CO 0.28 0.20 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 2p91 s VAL 260 N 1.37 4.54 -0.24 2.92 1.01 -0.30 -4.90 120.40 124.79 2p91 s VAL 260 Ca 0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 2p91 s VAL 260 Cb -0.16 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2p91 s VAL 260 CO -0.03 0.36 0.98 -1.00 0.00 0.00 0.00 175.10 175.41 2p91 s HIS 261 N 1.31 3.33 -0.61 5.22 3.76 -1.26 -0.70 115.29 126.33 2p91 s HIS 261 Ca 0.05 1.37 0.03 0.00 -0.15 0.00 0.00 55.06 56.36 2p91 s HIS 261 Cb -0.15 -3.22 0.15 0.00 1.11 0.00 0.00 32.58 30.48 2p91 s HIS 261 CO 0.04 -0.47 0.39 0.08 -0.85 0.00 0.00 174.74 173.93 2p91 s VAL 262 N 3.11 2.95 0.00 -0.90 1.01 0.19 -4.83 120.40 121.93 2p91 s VAL 262 Ca 0.41 -3.59 0.00 0.00 0.00 0.00 0.00 61.98 58.80 2p91 s VAL 262 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2p91 s VAL 262 CO 0.07 -0.89 0.53 -0.90 0.00 0.00 0.00 175.10 173.90 2p91 n ASP 263 N 2.77 0.00 -2.28 3.32 5.75 -1.26 -0.78 116.55 124.07 2p91 n ASP 263 Ca 0.11 -1.21 -0.15 0.00 -0.01 0.00 0.00 54.79 53.53 2p91 n ASP 263 Cb 0.34 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 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 -4.52 0.00 -1.12 3.02 -1.26 -2.11 115.26 109.27 2p91 n ASN 264 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2p91 n ASN 264 Cb 0.54 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 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 -0.79 0.69 0.29 7.41 0.00 -1.26 -4.95 105.19 106.58 2p91 n GLY 265 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 0.61 -0.21 1.61 3.20 -1.85 -1.81 116.97 118.50 2p91 h TYR 266 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2p91 h TYR 266 Cb 0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2p91 h TYR 266 CO 0.00 0.10 0.29 1.12 -1.64 0.00 0.00 178.16 178.03 2p91 h HIS 267 N 0.50 0.00 0.00 -3.82 2.07 -1.92 -2.60 115.15 109.38 2p91 h HIS 267 Ca 0.44 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.94 2p91 h HIS 267 Cb 0.65 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.63 2p91 h HIS 267 CO -0.14 0.00 -0.09 -0.84 -3.07 0.00 0.00 177.93 173.79 2p91 h ILE 268 N 0.00 0.18 -3.77 6.12 3.07 -1.75 -3.47 117.51 117.89 2p91 h ILE 268 Ca 0.10 -0.99 -0.50 0.00 1.55 0.00 0.00 64.86 65.03 2p91 h ILE 268 Cb 0.69 1.85 -0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2p91 h ILE 268 CO -0.00 0.09 0.41 -0.04 -1.05 0.00 0.00 178.15 177.55 2p91 s MET 269 N -3.40 4.75 0.00 0.16 -1.94 -0.98 -4.95 119.30 112.94 2p91 s MET 269 Ca 0.04 1.64 0.11 0.00 -1.71 0.00 0.00 55.69 55.77 2p91 s MET 269 Cb 0.07 -3.24 0.02 0.00 2.01 0.00 0.00 34.83 33.69 2p91 s MET 269 CO 0.63 0.37 0.70 0.41 -0.01 0.00 0.00 175.02 177.12 2p91 n GLY 270 N 1.36 -0.19 0.00 -0.03 0.00 -1.26 -5.14 105.19 99.93 2p91 n GLY 270 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2p91 n GLY 270 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65