#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poz s GLN 21 N 0.00 -0.02 0.15 0.00 -2.07 -1.26 -0.21 119.66 116.25 1poz s GLN 21 Ca 0.00 0.09 0.09 0.00 -1.82 0.00 0.00 55.36 53.72 1poz s GLN 21 Cb 0.00 -0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.76 1poz s GLN 21 CO 0.00 -0.08 -0.17 0.42 -1.32 0.00 0.00 175.29 174.15 1poz s ILE 22 N 0.50 2.86 -0.36 3.63 1.01 -1.07 -4.96 121.20 122.82 1poz s ILE 22 Ca -0.04 -1.63 -0.15 0.00 0.00 0.00 0.00 60.65 58.83 1poz s ILE 22 Cb -0.06 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1poz s ILE 22 CO -0.01 0.00 0.32 -1.81 0.00 0.00 0.00 174.94 173.44 1poz s ASP 23 N -2.42 6.13 0.01 3.58 1.11 -1.26 -2.30 116.67 121.51 1poz s ASP 23 Ca 0.20 -0.42 -0.01 0.00 0.18 0.00 0.00 52.55 52.51 1poz s ASP 23 Cb -0.10 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 1poz s ASP 23 CO 0.12 -0.34 0.12 -0.76 1.18 0.00 0.00 175.17 175.48 1poz s LEU 24 N 1.89 4.04 -0.21 1.23 2.01 0.37 -1.96 118.68 126.05 1poz s LEU 24 Ca 0.09 0.19 -0.04 0.00 0.01 0.00 0.00 54.13 54.38 1poz s LEU 24 Cb -0.17 -2.43 0.07 0.00 0.01 0.00 0.00 46.19 43.67 1poz s LEU 24 CO 0.11 0.25 0.08 0.20 1.01 0.00 0.00 176.35 178.01 1poz s ASN 25 N -1.90 2.80 0.22 2.29 0.01 0.91 0.44 114.94 119.70 1poz s ASN 25 Ca 0.25 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.56 1poz s ASN 25 Cb -0.12 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.15 1poz s ASN 25 CO 0.17 -0.36 0.03 2.30 -1.51 0.00 0.00 177.10 177.73 1poz n ILE 26 N 5.19 0.00 -0.04 0.60 -5.35 -0.17 0.38 119.36 119.97 1poz n ILE 26 Ca -0.07 -1.01 -0.03 0.00 -0.27 0.00 0.00 62.75 61.37 1poz n ILE 26 Cb 0.47 0.11 -0.09 0.00 -1.74 0.00 0.00 39.64 38.39 1poz n ILE 26 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1poz n THR 27 N -0.64 0.60 0.00 7.28 -1.04 0.27 -2.58 114.28 118.17 1poz n THR 27 Ca -0.07 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1poz n THR 27 Cb 0.27 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz s ARG 29 N -1.98 2.79 -0.16 0.00 3.00 0.24 -2.53 118.95 120.31 1poz s ARG 29 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 55.73 53.97 1poz s ARG 29 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 1poz s ARG 29 CO 0.00 -1.25 0.06 -0.06 0.00 0.00 0.00 175.30 174.04 1poz s PHE 30 N 1.51 3.26 0.00 -0.53 0.40 0.16 -0.07 117.98 122.71 1poz s PHE 30 Ca 0.04 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1poz s PHE 30 Cb -0.28 -2.02 0.00 0.00 0.51 0.00 0.00 43.02 41.23 1poz s PHE 30 CO 0.02 0.25 0.00 0.00 0.70 0.00 0.00 175.22 176.19 1poz n ALA 31 N 3.18 0.00 0.00 5.36 0.00 1.06 -0.55 120.51 129.55 1poz n ALA 31 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1poz n ALA 31 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1poz n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1poz n GLY 32 N -0.44 1.04 3.25 0.00 0.00 -0.13 -2.83 105.19 106.07 1poz n GLY 32 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1poz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1poz s VAL 33 N -2.00 2.55 -0.20 1.61 1.01 0.29 -1.63 120.40 122.03 1poz s VAL 33 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1poz s VAL 33 Cb 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1poz s VAL 33 CO 0.00 0.52 -0.15 0.12 0.00 0.00 0.00 175.10 175.59 1poz s PHE 34 N 0.81 2.89 -0.30 5.22 5.36 -0.99 0.36 117.98 131.32 1poz s PHE 34 Ca -0.06 -1.55 -0.26 0.00 -0.96 0.00 0.00 56.93 54.10 1poz s PHE 34 Cb -0.15 -1.97 0.01 0.00 -0.34 0.00 0.00 43.02 40.56 1poz s PHE 34 CO -0.00 -0.76 0.93 -1.58 -1.46 0.00 0.00 175.22 172.35 1poz s HIS 35 N 1.32 3.19 0.02 10.12 5.65 -1.05 -3.19 115.29 131.35 1poz s HIS 35 Ca 0.04 1.03 -0.01 0.00 0.25 0.00 0.00 55.06 56.37 1poz s HIS 35 Cb -0.14 -3.42 -0.04 0.00 -1.18 0.00 0.00 32.58 27.80 1poz s HIS 35 CO -0.10 -0.64 0.17 0.54 -0.65 0.00 0.00 174.74 174.06 1poz s VAL 36 N 3.27 5.26 0.38 0.89 0.11 -0.07 0.96 120.40 131.20 1poz s VAL 36 Ca 0.39 -0.32 -0.16 0.00 -2.93 0.00 0.00 61.98 58.96 1poz s VAL 36 Cb -0.13 -3.50 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1poz s VAL 36 CO 0.13 0.24 0.79 -0.70 -3.33 0.00 0.00 175.10 172.23 1poz s GLU 37 N -2.16 2.20 0.39 1.54 -6.30 0.16 -1.80 118.70 112.73 1poz s GLU 37 Ca 0.30 -1.40 0.08 0.00 -2.50 0.00 0.00 54.97 51.44 1poz s GLU 37 Cb -0.13 0.62 -0.02 0.00 0.00 0.00 0.00 34.13 34.61 1poz s GLU 37 CO 0.22 -1.03 0.38 0.21 0.02 0.00 0.00 175.26 175.05 1poz s LYS 38 N -2.42 2.64 -0.80 4.30 2.36 -1.24 -0.06 119.74 124.53 1poz s LYS 38 Ca 0.15 -1.41 -0.25 0.00 -2.55 0.00 0.00 55.97 51.91 1poz s LYS 38 Cb -0.05 -2.46 -0.18 0.00 -1.05 0.00 0.00 37.83 34.09 1poz s LYS 38 CO 0.11 -0.11 2.47 -1.71 1.55 0.00 0.00 175.35 177.66 1poz n ASN 39 N -1.53 0.92 -2.91 1.43 2.85 -0.83 -1.40 115.26 113.79 1poz n ASN 39 Ca 0.02 -0.46 -0.17 0.00 -0.11 0.00 0.00 54.58 53.86 1poz n ASN 39 Cb 0.61 -1.20 -0.00 0.00 1.24 0.00 0.00 39.78 40.42 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1poz n GLY 40 N 6.22 -0.49 0.00 8.20 0.00 -1.26 -4.93 105.19 112.93 1poz n GLY 40 Ca 0.54 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1poz n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1poz n ARG 41 N -3.26 0.42 0.00 1.61 3.00 -0.49 -5.00 116.66 112.95 1poz n ARG 41 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1poz n ARG 41 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1poz n ARG 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1poz n TYR 42 N -1.14 0.00 -0.81 -0.14 4.19 -1.26 -4.94 117.16 113.06 1poz n TYR 42 Ca 0.00 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.24 1poz n TYR 42 Cb 0.00 0.00 0.04 0.00 0.49 0.00 0.00 39.34 39.87 1poz n TYR 42 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1poz n SER 43 N 0.00 1.44 -4.77 2.98 7.64 -1.26 -0.04 113.62 119.62 1poz n SER 43 Ca 0.00 -2.16 -0.40 0.00 1.01 0.00 0.00 58.87 57.32 1poz n SER 43 Cb 0.00 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1poz s ILE 44 N -1.25 2.36 0.00 0.44 1.01 -0.66 -4.41 121.20 118.69 1poz s ILE 44 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1poz s ILE 44 Cb 0.09 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1poz s ILE 44 CO 0.01 0.07 0.00 -1.20 0.00 0.00 0.00 174.94 173.82 1poz n SER 45 N 0.40 0.83 0.18 3.58 7.64 -1.26 -2.94 113.62 122.05 1poz n SER 45 Ca 0.02 -0.19 0.07 0.00 1.01 0.00 0.00 58.87 59.78 1poz n SER 45 Cb 0.41 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.77 1poz n SER 45 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1poz h ARG 46 N 0.00 0.00 0.11 1.43 2.43 -1.96 -2.98 114.38 113.41 1poz h ARG 46 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1poz h ARG 46 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1poz h ARG 46 CO 0.00 0.28 -0.06 1.15 -1.51 0.00 0.00 179.97 179.83 1poz h THR 47 N 0.00 0.00 -0.34 0.20 2.02 -1.97 0.16 112.91 112.98 1poz h THR 47 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1poz h THR 47 Cb 1.13 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1poz h THR 47 CO 0.04 0.00 0.20 -0.33 0.37 0.00 0.00 175.52 175.80 1poz h GLU 48 N -0.15 0.46 0.00 6.66 4.39 -1.87 -1.91 114.58 122.15 1poz h GLU 48 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1poz h GLU 48 Cb 0.12 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1poz h GLU 48 CO 0.02 0.36 0.00 0.00 -1.16 0.00 0.00 179.01 178.23 1poz n ALA 49 N -2.22 -0.15 -0.39 3.43 0.00 -1.12 -2.06 120.51 118.00 1poz n ALA 49 Ca -0.01 0.00 0.38 0.00 0.00 0.00 0.00 53.44 53.82 1poz n ALA 49 Cb 0.06 0.10 0.69 0.00 0.00 0.00 0.00 19.45 20.30 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz h ALA 50 N -1.88 3.26 -1.57 0.00 0.00 -0.75 0.41 119.26 118.73 1poz h ALA 50 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1poz h ALA 50 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1poz h ALA 50 CO 0.00 -1.82 0.00 -0.25 0.00 0.00 0.00 179.25 177.18 1poz n ASP 51 N -3.78 0.00 -0.08 0.00 9.92 -0.72 -1.96 116.55 119.93 1poz n ASP 51 Ca 0.30 0.74 -0.15 0.00 -0.53 0.00 0.00 54.79 55.15 1poz n ASP 51 Cb 1.54 -0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 41.74 1poz n ASP 51 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1poz h LEU 52 N 0.00 0.96 -0.65 0.64 8.10 -1.13 -1.50 115.31 121.74 1poz h LEU 52 Ca 0.00 -0.53 0.11 0.00 0.11 0.00 0.00 57.88 57.57 1poz h LEU 52 Cb 0.00 -0.28 -0.12 0.00 -0.44 0.00 0.00 40.66 39.82 1poz h LEU 52 CO 0.00 1.31 -0.34 0.00 -4.11 0.00 0.00 178.44 175.30 1poz h LYS 54 N -0.14 0.00 -0.69 0.00 2.10 -1.42 -3.28 116.57 113.14 1poz h LYS 54 Ca 0.25 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 59.05 1poz h LYS 54 Cb 0.56 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.77 1poz h LYS 54 CO -0.72 0.22 0.02 0.00 -2.00 0.00 0.00 179.45 176.96 1poz h ALA 55 N 1.78 0.72 -0.37 0.07 0.00 0.13 0.38 119.26 121.97 1poz h ALA 55 Ca -0.00 0.21 -0.36 0.00 0.00 0.00 0.00 54.91 54.76 1poz h ALA 55 Cb 1.01 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1poz h ALA 55 CO 0.03 -0.40 0.21 1.97 0.00 0.00 0.00 179.25 181.06 1poz n PHE 56 N -5.30 1.14 -3.36 0.00 -1.74 -1.03 0.18 117.46 107.36 1poz n PHE 56 Ca 0.12 -1.79 -0.14 0.00 -0.56 0.00 0.00 57.45 55.07 1poz n PHE 56 Cb 0.42 -1.25 0.01 0.00 1.52 0.00 0.00 39.48 40.17 1poz n PHE 56 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1poz n ASN 57 N 1.12 -6.47 -4.10 5.98 3.02 0.10 -4.39 115.26 110.53 1poz n ASN 57 Ca 0.39 -0.34 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 1poz n ASN 57 Cb 0.63 -3.57 -0.08 0.00 -0.61 0.00 0.00 39.78 36.15 1poz n ASN 57 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1poz s SER 58 N -2.78 0.07 0.19 6.41 0.15 -1.09 -0.33 113.70 116.32 1poz s SER 58 Ca 0.07 -1.15 -0.22 0.00 0.70 0.00 0.00 55.95 55.35 1poz s SER 58 Cb -0.01 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1poz s SER 58 CO 0.82 -0.94 0.63 0.28 1.20 0.00 0.00 173.24 175.24 1poz s THR 59 N -4.08 0.00 -0.77 6.45 -1.32 -0.92 -4.24 115.64 110.75 1poz s THR 59 Ca 0.29 -0.29 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 1poz s THR 59 Cb 0.04 -1.28 -0.19 0.00 -1.51 0.00 0.00 72.50 69.56 1poz s THR 59 CO 0.08 -0.00 2.24 0.18 -2.21 0.00 0.00 174.62 174.91 1poz n LEU 60 N -0.40 0.34 -4.76 9.08 4.77 -1.26 -2.61 117.00 122.16 1poz n LEU 60 Ca -0.13 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 1poz n LEU 60 Cb 0.63 -0.80 0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1poz n LEU 60 CO 0.13 -0.64 0.70 -2.16 -1.33 0.00 0.00 177.39 174.09 1poz s PRO 61 N 7.26 2.17 0.49 3.23 0.04 -1.26 -4.86 135.00 142.07 1poz s PRO 61 Ca 1.15 1.13 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1poz s PRO 61 Cb -1.14 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 31.54 1poz s PRO 61 CO 0.46 -1.69 0.54 0.99 0.04 0.00 0.00 177.00 177.33 1poz s THR 62 N -2.91 2.32 0.19 1.26 2.01 -1.26 -2.90 115.64 114.35 1poz s THR 62 Ca 0.61 -1.22 0.25 0.00 0.31 0.00 0.00 61.69 61.64 1poz s THR 62 Cb -0.17 -2.54 0.25 0.00 0.01 0.00 0.00 72.50 70.05 1poz s THR 62 CO 0.56 0.00 1.75 -0.03 -0.69 0.00 0.00 174.62 176.22 1poz h MET 63 N 0.65 0.00 0.19 4.92 4.05 -1.97 -0.16 114.93 122.61 1poz h MET 63 Ca -0.37 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 58.73 1poz h MET 63 Cb 1.28 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.10 1poz h MET 63 CO 0.50 0.00 -1.58 0.00 0.23 0.00 0.00 176.91 176.07 1poz h ALA 64 N 1.66 0.05 -0.25 0.39 0.00 -1.97 -2.36 119.26 116.78 1poz h ALA 64 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 1poz h ALA 64 Cb 0.29 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1poz h ALA 64 CO 0.00 0.86 0.15 1.96 0.00 0.00 0.00 179.25 182.22 1poz h GLN 65 N 0.03 0.34 0.15 0.00 7.50 -1.39 0.88 115.11 122.61 1poz h GLN 65 Ca -0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 58.81 1poz h GLN 65 Cb 2.05 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 29.51 1poz h GLN 65 CO 0.19 0.27 -0.07 0.52 -1.50 0.00 0.00 178.83 178.23 1poz h MET 66 N 0.31 -0.19 -0.10 1.46 2.86 -1.65 -2.62 114.93 114.99 1poz h MET 66 Ca 0.09 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1poz h MET 66 Cb 0.02 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1poz h MET 66 CO -0.02 0.25 -0.14 0.93 1.06 0.00 0.00 176.91 178.99 1poz h GLU 67 N -0.86 -0.17 -0.24 1.72 4.39 -1.46 0.40 114.58 118.36 1poz h GLU 67 Ca -0.02 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1poz h GLU 67 Cb 0.53 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1poz h GLU 67 CO 0.03 -0.11 -0.06 -0.22 -1.16 0.00 0.00 179.01 177.48 1poz h LYS 68 N -0.18 -0.01 -0.62 2.33 3.11 -0.94 -0.08 116.57 120.18 1poz h LYS 68 Ca 0.08 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1poz h LYS 68 Cb 0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1poz h LYS 68 CO -0.21 -0.01 0.41 0.00 -2.81 0.00 0.00 179.45 176.83 1poz h ALA 69 N 1.22 1.64 0.00 5.00 0.00 -1.04 0.36 119.26 126.45 1poz h ALA 69 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1poz h ALA 69 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1poz h ALA 69 CO -0.25 0.31 -0.17 -0.07 0.00 0.00 0.00 179.25 179.07 1poz h LEU 70 N 0.76 0.00 0.00 0.00 4.07 0.15 0.45 115.31 120.75 1poz h LEU 70 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1poz h LEU 70 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1poz h LEU 70 CO -0.06 0.17 -0.79 -1.20 -1.08 0.00 0.00 178.44 175.48 1poz n SER 71 N -3.53 0.65 -0.56 -0.43 7.64 -0.02 -3.74 113.62 113.62 1poz n SER 71 Ca -0.01 -0.05 0.12 0.00 1.01 0.00 0.00 58.87 59.94 1poz n SER 71 Cb 0.32 0.44 0.21 0.00 -1.01 0.00 0.00 64.21 64.18 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1poz n ILE 72 N -1.99 0.00 0.00 0.44 -6.64 -0.40 -4.92 119.36 105.85 1poz n ILE 72 Ca 0.03 -0.29 0.00 0.00 -1.77 0.00 0.00 62.75 60.71 1poz n ILE 72 Cb 0.43 0.98 0.00 0.00 -1.44 0.00 0.00 39.64 39.61 1poz n ILE 72 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1poz n GLY 73 N 1.33 1.45 3.25 3.28 0.00 -0.92 -4.95 105.19 108.64 1poz n GLY 73 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1poz n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1poz s PHE 74 N -2.00 3.18 -0.03 1.61 5.36 0.15 -4.99 117.98 121.26 1poz s PHE 74 Ca 0.00 -1.43 -0.05 0.00 -0.96 0.00 0.00 56.93 54.49 1poz s PHE 74 Cb 0.00 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1poz s PHE 74 CO 0.00 -0.70 0.13 -1.83 -1.46 0.00 0.00 175.22 171.36 1poz s GLU 75 N 1.38 0.26 0.24 10.12 -1.05 -1.26 -3.85 118.70 124.53 1poz s GLU 75 Ca -0.01 -0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 1poz s GLU 75 Cb -0.18 0.12 -0.00 0.00 -0.44 0.00 0.00 34.13 33.62 1poz s GLU 75 CO -0.00 -0.05 0.04 0.25 0.95 0.00 0.00 175.26 176.45 1poz n THR 76 N 2.50 0.00 -0.18 1.83 -2.24 -1.26 -5.04 114.28 109.90 1poz n THR 76 Ca -0.16 -1.26 -0.01 0.00 -2.27 0.00 0.00 64.05 60.36 1poz n THR 76 Cb 0.58 0.36 0.09 0.00 -2.10 0.00 0.00 70.33 69.26 1poz n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz n ARG 78 N -5.12 0.00 -1.07 0.00 3.00 -1.26 -2.10 116.66 110.10 1poz n ARG 78 Ca 0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.49 1poz n ARG 78 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.69 1poz n ARG 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1poz n TYR 79 N 0.00 0.46 -3.57 -1.55 4.01 -1.26 -4.05 117.16 111.21 1poz n TYR 79 Ca 0.00 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.50 1poz n TYR 79 Cb 0.00 -1.50 -0.06 0.00 -0.31 0.00 0.00 39.34 37.48 1poz n TYR 79 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1poz s GLY 80 N 0.02 0.17 -0.18 2.72 0.00 0.66 -4.04 107.32 106.68 1poz s GLY 80 Ca 0.65 3.37 -0.39 0.00 0.00 0.00 0.00 44.72 48.35 1poz s GLY 80 CO 0.41 2.81 1.65 0.69 0.00 0.00 0.00 173.10 178.66 1poz n PHE 81 N 3.80 1.93 -1.53 1.90 3.72 -1.04 -2.34 117.46 123.90 1poz n PHE 81 Ca -0.16 0.54 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1poz n PHE 81 Cb 0.56 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1poz n ILE 82 N 4.09 0.00 -0.25 4.37 0.13 0.47 -1.93 119.36 126.25 1poz n ILE 82 Ca 0.24 0.00 0.32 0.00 -1.10 0.00 0.00 62.75 62.21 1poz n ILE 82 Cb 0.15 -1.29 0.58 0.00 -0.84 0.00 0.00 39.64 38.25 1poz n ILE 82 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1poz h GLU 83 N 0.00 0.00 0.00 9.51 4.11 -1.83 -3.30 114.58 123.06 1poz h GLU 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1poz h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1poz h GLU 83 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1poz n GLY 84 N -1.72 0.00 3.62 1.06 0.00 -1.26 -4.75 105.19 102.15 1poz n GLY 84 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1poz n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1poz s HIS 85 N 0.00 -0.29 -0.37 1.61 3.76 -1.24 -5.10 115.29 113.65 1poz s HIS 85 Ca 0.00 0.62 -0.27 0.00 -0.15 0.00 0.00 55.06 55.26 1poz s HIS 85 Cb 0.00 0.43 -0.06 0.00 1.11 0.00 0.00 32.58 34.07 1poz s HIS 85 CO 0.00 -0.20 2.32 0.54 -0.85 0.00 0.00 174.74 176.55 1poz s VAL 86 N -0.45 3.01 0.42 -0.90 0.11 -1.26 -0.39 120.40 120.94 1poz s VAL 86 Ca 0.03 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1poz s VAL 86 Cb -0.03 -3.03 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1poz s VAL 86 CO -0.06 -0.02 0.06 0.55 -3.33 0.00 0.00 175.10 172.30 1poz n VAL 87 N 7.88 0.00 -3.67 2.04 3.14 -0.99 -1.92 118.33 124.82 1poz n VAL 87 Ca 0.33 -1.91 -0.15 0.00 -2.96 0.00 0.00 64.34 59.66 1poz n VAL 87 Cb 0.50 0.30 -0.14 0.00 -1.06 0.00 0.00 33.84 33.44 1poz n VAL 87 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1poz s ILE 88 N -2.43 -0.32 0.51 1.55 1.01 0.28 -0.24 121.20 121.55 1poz s ILE 88 Ca 0.05 0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 1poz s ILE 88 Cb -0.00 -0.38 -0.06 0.00 0.01 0.00 0.00 42.46 42.03 1poz s ILE 88 CO 0.03 0.12 1.18 -2.16 0.00 0.00 0.00 174.94 174.11 1poz s PRO 89 N 2.23 3.49 -0.27 2.79 0.04 -1.26 -2.17 135.00 139.86 1poz s PRO 89 Ca 0.01 1.79 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1poz s PRO 89 Cb -0.12 -2.23 0.11 0.00 0.04 0.00 0.00 34.50 32.30 1poz s PRO 89 CO -0.07 -0.78 1.02 0.54 0.04 0.00 0.00 177.00 177.75 1poz n ARG 90 N -0.89 0.35 0.21 4.56 3.00 -1.25 -4.70 116.66 117.93 1poz n ARG 90 Ca 0.10 -0.73 0.18 0.00 -0.01 0.00 0.00 57.85 57.39 1poz n ARG 90 Cb 0.49 0.02 0.76 0.00 0.00 0.00 0.00 32.46 33.73 1poz n ARG 90 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1poz h ILE 91 N 0.71 0.19 -3.07 0.55 2.10 -1.88 -3.20 117.51 112.91 1poz h ILE 91 Ca -0.43 0.00 -0.41 0.00 1.08 0.00 0.00 64.86 65.10 1poz h ILE 91 Cb 1.20 0.63 -0.15 0.00 -1.09 0.00 0.00 36.82 37.42 1poz h ILE 91 CO -0.16 0.00 -0.73 -1.00 -1.08 0.00 0.00 178.15 175.19 1poz s HIS 92 N -4.36 1.56 0.00 2.19 3.76 -1.26 -4.99 115.29 112.19 1poz s HIS 92 Ca -0.04 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1poz s HIS 92 Cb 0.12 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1poz s HIS 92 CO 0.41 0.26 0.78 -0.35 -0.85 0.00 0.00 174.74 174.99 1poz n PRO 93 N -0.29 0.70 -3.23 8.40 -0.04 -1.26 -4.61 135.00 134.66 1poz n PRO 93 Ca -0.09 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.92 1poz n PRO 93 Cb 0.60 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1poz n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1poz s ASN 94 N 1.12 7.25 0.41 3.54 6.03 -1.26 -5.03 114.94 126.99 1poz s ASN 94 Ca 0.00 -3.42 -0.24 0.00 -1.03 0.00 0.00 52.86 48.17 1poz s ASN 94 Cb 0.00 -2.26 -0.12 0.00 -3.03 0.00 0.00 41.25 35.84 1poz s ASN 94 CO 0.00 -0.42 0.82 -1.54 -2.03 0.00 0.00 177.10 173.94 1poz n SER 95 N 3.51 0.38 0.00 3.54 3.41 -1.26 -4.94 113.62 118.25 1poz n SER 95 Ca 0.27 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1poz n SER 95 Cb 0.40 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1poz n ILE 96 N -0.60 0.00 -0.09 -1.33 2.08 -1.26 -5.01 119.36 113.16 1poz n ILE 96 Ca 0.11 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.31 1poz n ILE 96 Cb 0.38 -0.21 -0.10 0.00 -0.75 0.00 0.00 39.64 38.96 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1poz n ALA 98 N -2.85 0.00 0.00 0.00 0.00 -1.26 -5.06 120.51 111.34 1poz n ALA 98 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1poz n ALA 98 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1poz n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 99 N -3.00 0.00 -1.65 0.00 0.00 -1.26 -5.12 120.51 109.48 1poz n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1poz n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1poz n ASN 100 N 0.00 0.00 0.00 0.00 3.02 -1.26 -4.66 115.26 112.36 1poz n ASN 100 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1poz n ASN 100 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1poz n ASN 100 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1poz n ASN 101 N 0.00 0.00 0.00 6.41 6.94 -1.26 -4.35 115.26 123.00 1poz n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1poz n ASN 101 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1poz n ASN 101 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1poz n THR 102 N -0.23 0.00 0.00 5.53 -2.24 -1.26 -5.01 114.28 111.07 1poz n THR 102 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1poz n THR 102 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1poz n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1poz n GLY 103 N 0.00 2.17 2.55 3.38 0.00 -1.21 -4.63 105.19 107.45 1poz n GLY 103 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1poz n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1poz n VAL 104 N 0.00 1.66 -1.97 1.61 3.14 -1.22 -3.96 118.33 117.60 1poz n VAL 104 Ca 0.00 -3.80 -0.43 0.00 -2.96 0.00 0.00 64.34 57.15 1poz n VAL 104 Cb 0.00 -0.10 -0.03 0.00 -1.06 0.00 0.00 33.84 32.66 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1poz s TYR 105 N -3.41 1.78 0.02 1.45 6.14 -0.92 -4.68 117.35 117.73 1poz s TYR 105 Ca 0.37 0.56 -0.01 0.00 0.64 0.00 0.00 57.07 58.62 1poz s TYR 105 Cb 0.42 -4.09 -0.04 0.00 0.42 0.00 0.00 41.96 38.67 1poz s TYR 105 CO -0.05 -3.16 0.16 0.42 0.64 0.00 0.00 175.55 173.56 1poz s ILE 106 N 6.60 5.23 -0.36 3.14 -1.09 -1.26 0.99 121.20 134.44 1poz s ILE 106 Ca 0.81 -0.31 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 1poz s ILE 106 Cb -0.25 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1poz s ILE 106 CO 0.33 0.27 0.21 -0.22 -1.23 0.00 0.00 174.94 174.30 1poz s LEU 107 N -2.09 4.63 0.00 2.97 2.96 -0.81 -4.92 118.68 121.42 1poz s LEU 107 Ca 0.29 -0.85 0.26 0.00 -0.22 0.00 0.00 54.13 53.61 1poz s LEU 107 Cb -0.13 -2.04 0.66 0.00 0.50 0.00 0.00 46.19 45.18 1poz s LEU 107 CO 0.21 -0.34 1.52 0.41 -1.32 0.00 0.00 176.35 176.82 1poz n THR 108 N 5.02 0.00 -3.28 3.68 -1.04 -1.26 -4.86 114.28 112.55 1poz n THR 108 Ca -0.12 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.05 61.21 1poz n THR 108 Cb 0.47 0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 69.73 1poz n THR 108 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1poz s SER 109 N -2.15 6.65 -0.16 8.00 0.15 -1.26 -5.05 113.70 119.89 1poz s SER 109 Ca 0.31 0.78 -0.25 0.00 0.70 0.00 0.00 55.95 57.49 1poz s SER 109 Cb 0.20 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1poz s SER 109 CO 0.39 -0.07 0.82 0.20 1.20 0.00 0.00 173.24 175.77 1poz s ASN 110 N 0.82 6.95 0.00 5.45 0.01 -1.26 -4.85 114.94 122.07 1poz s ASN 110 Ca 0.26 1.17 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 1poz s ASN 110 Cb -0.15 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1poz s ASN 110 CO 0.10 -0.38 0.00 0.41 -1.51 0.00 0.00 177.10 175.73 1poz n THR 111 N 4.66 0.00 0.00 1.60 -1.04 -1.26 -5.14 114.28 113.11 1poz n THR 111 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1poz n THR 111 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1poz n THR 111 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1poz n SER 112 N -1.68 0.00 0.00 8.00 7.64 -1.26 -5.18 113.62 121.14 1poz n SER 112 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1poz n SER 112 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1poz n SER 112 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n GLN 113 N 0.00 0.00 0.00 1.43 1.13 -1.20 -4.97 117.38 113.77 1poz n GLN 113 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1poz n GLN 113 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1poz n TYR 114 N 0.00 0.00 -1.98 1.08 4.11 0.94 -4.63 117.16 116.69 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1poz n ASP 115 N 0.00 0.00 -3.62 9.48 8.00 -1.26 -1.65 116.55 127.51 1poz n ASP 115 Ca 0.00 -0.54 -0.15 0.00 0.71 0.00 0.00 54.79 54.80 1poz n ASP 115 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1poz n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1poz s THR 116 N 0.90 0.01 0.12 -3.53 2.01 -0.75 -2.49 115.64 111.91 1poz s THR 116 Ca 0.00 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 61.99 1poz s THR 116 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1poz s THR 116 CO 0.00 -0.04 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.50 1poz s TYR 117 N -0.59 2.78 -0.27 4.92 1.51 -0.81 -0.89 117.35 123.99 1poz s TYR 117 Ca -0.07 -0.14 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1poz s TYR 117 Cb -0.03 -1.42 0.10 0.00 -0.11 0.00 0.00 41.96 40.51 1poz s TYR 117 CO 0.05 0.46 0.61 0.00 -1.11 0.00 0.00 175.55 175.56 1poz s PHE 119 N 2.32 2.75 -0.30 0.00 5.36 -1.07 -2.35 117.98 124.69 1poz s PHE 119 Ca -0.07 0.62 -0.18 0.00 -0.96 0.00 0.00 56.93 56.33 1poz s PHE 119 Cb -0.09 -4.46 -0.02 0.00 -0.34 0.00 0.00 43.02 38.10 1poz s PHE 119 CO -0.18 -1.37 0.53 0.54 -1.46 0.00 0.00 175.22 173.29 1poz s ASN 120 N 2.61 6.40 0.64 6.13 2.20 -0.64 -2.17 114.94 130.11 1poz s ASN 120 Ca 0.46 0.33 0.38 0.00 -0.94 0.00 0.00 52.86 53.10 1poz s ASN 120 Cb -0.07 -2.28 2.15 0.00 -2.00 0.00 0.00 41.25 39.05 1poz s ASN 120 CO 0.30 -0.38 2.30 0.00 -2.94 0.00 0.00 177.10 176.38 1poz h ALA 121 N 8.19 1.25 -0.38 3.54 0.00 -0.92 -1.93 119.26 129.01 1poz h ALA 121 Ca -0.28 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1poz h ALA 121 Cb 1.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1poz h ALA 121 CO 0.75 -0.03 -0.01 0.77 0.00 0.00 0.00 179.25 180.73 1poz h SER 122 N 0.00 -0.18 -3.48 0.00 0.02 -1.76 -3.38 113.55 104.78 1poz h SER 122 Ca 0.00 0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.44 1poz h SER 122 Cb 0.05 0.16 -0.11 0.00 0.14 0.00 0.00 62.40 62.64 1poz h SER 122 CO -0.00 -0.05 0.12 0.00 -1.14 0.00 0.00 176.83 175.76 1poz s ALA 123 N -6.18 3.59 1.16 3.77 0.00 -0.72 -5.07 121.76 118.30 1poz s ALA 123 Ca -0.13 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 1poz s ALA 123 Cb 0.14 -2.99 0.22 0.00 0.00 0.00 0.00 23.12 20.48 1poz s ALA 123 CO 0.71 -0.73 0.82 -0.35 0.00 0.00 0.00 175.76 176.21 1poz n PRO 124 N 5.51 -2.36 -0.65 0.00 -0.04 -1.26 -3.82 135.00 132.38 1poz n PRO 124 Ca -0.01 -1.30 -0.34 0.00 -0.04 0.00 0.00 63.50 61.80 1poz n PRO 124 Cb 0.49 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1poz n PRO 124 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1poz n PRO 125 N -3.82 0.75 0.00 0.54 -0.04 -1.15 -0.96 135.00 130.31 1poz n PRO 125 Ca 0.11 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1poz n PRO 125 Cb 0.43 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1poz n PRO 125 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1poz n GLU 126 N 6.67 0.00 0.00 0.54 0.28 -1.13 -4.75 120.64 122.25 1poz n GLU 126 Ca 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1poz n GLU 126 Cb 0.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.18 1poz n GLU 126 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1poz n GLU 127 N 0.00 0.00 0.00 3.44 -0.58 -1.26 0.34 120.64 122.58 1poz n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1poz n GLU 127 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1poz n GLU 127 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1poz n ASP 128 N 1.73 0.00 0.00 1.62 2.03 0.90 -4.54 116.55 118.29 1poz n ASP 128 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1poz n ASP 128 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1poz n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1poz n THR 130 N 0.00 -3.34 -1.55 0.00 -1.04 -1.26 -4.26 114.28 102.84 1poz n THR 130 Ca 0.00 1.50 -0.33 0.00 -2.04 0.00 0.00 64.05 63.18 1poz n THR 130 Cb 0.00 -2.20 -0.04 0.00 -1.82 0.00 0.00 70.33 66.26 1poz n THR 130 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1poz n SER 131 N -1.55 2.09 -1.09 8.00 3.41 -1.26 -4.77 113.62 118.45 1poz n SER 131 Ca 0.00 -0.60 -0.02 0.00 -0.26 0.00 0.00 58.87 57.99 1poz n SER 131 Cb 0.16 -1.55 0.07 0.00 -0.26 0.00 0.00 64.21 62.64 1poz n SER 131 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1poz n VAL 132 N 8.06 1.14 0.00 -3.33 3.14 -1.26 -4.42 118.33 121.65 1poz n VAL 132 Ca 0.40 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1poz n VAL 132 Cb 0.50 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1poz n THR 133 N 0.12 0.00 0.00 1.55 5.66 -1.26 -3.70 114.28 116.65 1poz n THR 133 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1poz n THR 133 Cb 0.65 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1poz n THR 133 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1poz n ASP 134 N -0.46 0.00 -4.09 1.09 9.92 -1.26 -4.82 116.55 116.93 1poz n ASP 134 Ca 0.00 0.16 -0.34 0.00 -0.53 0.00 0.00 54.79 54.08 1poz n ASP 134 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1poz n LEU 135 N -0.24 -1.78 0.00 0.64 4.77 -1.24 -4.78 117.00 114.37 1poz n LEU 135 Ca 0.00 -0.90 0.04 0.00 -0.03 0.00 0.00 56.01 55.11 1poz n LEU 135 Cb 0.00 -2.14 0.21 0.00 -2.33 0.00 0.00 43.42 39.16 1poz n LEU 135 CO 0.00 0.30 0.43 -0.81 -1.33 0.00 0.00 177.39 175.98 1poz n PRO 136 N -4.34 0.23 0.00 3.23 -0.04 -0.77 -2.14 135.00 131.16 1poz n PRO 136 Ca 0.07 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1poz n PRO 136 Cb 0.50 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1poz n ASN 137 N -0.98 0.59 -3.13 3.54 3.02 0.48 -4.92 115.26 113.88 1poz n ASN 137 Ca 0.05 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1poz n ASN 137 Cb 0.02 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1poz n ALA 138 N -1.52 0.00 -2.49 5.41 0.00 -0.91 -4.78 120.51 116.23 1poz n ALA 138 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1poz n ALA 138 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 1poz n ALA 138 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1poz s PHE 139 N -0.48 2.58 0.08 0.00 -0.71 -1.24 -4.93 117.98 113.27 1poz s PHE 139 Ca 0.00 -0.61 -0.31 0.00 -1.04 0.00 0.00 56.93 54.97 1poz s PHE 139 Cb 0.00 -1.91 -0.07 0.00 -1.21 0.00 0.00 43.02 39.83 1poz s PHE 139 CO 0.00 0.26 1.38 0.34 -1.34 0.00 0.00 175.22 175.87 1poz s ASP 140 N -3.85 6.85 0.00 1.98 2.15 -1.26 -2.47 116.67 120.06 1poz s ASP 140 Ca 0.39 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.63 1poz s ASP 140 Cb 0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1poz s ASP 140 CO 0.21 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 1poz n GLY 141 N 3.52 1.91 0.84 2.66 0.00 -1.12 -4.80 105.19 108.20 1poz n GLY 141 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1poz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poz n PRO 142 N -0.31 0.50 -2.13 1.61 -0.02 -1.25 -2.66 135.00 130.74 1poz n PRO 142 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1poz n PRO 142 Cb 0.00 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 1poz n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1poz s ILE 143 N 0.01 3.51 -1.10 4.25 -1.09 -0.88 -4.65 121.20 121.25 1poz s ILE 143 Ca 0.00 -0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 57.88 1poz s ILE 143 Cb 0.00 -4.17 -0.13 0.00 -1.58 0.00 0.00 42.46 36.58 1poz s ILE 143 CO 0.00 -1.11 1.96 0.41 -1.23 0.00 0.00 174.94 174.97 1poz n THR 144 N 7.58 1.48 -2.69 2.92 -1.04 0.70 -0.28 114.28 122.96 1poz n THR 144 Ca 0.35 -1.52 -0.42 0.00 -2.04 0.00 0.00 64.05 60.41 1poz n THR 144 Cb 0.48 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.82 1poz n THR 144 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1poz s ILE 145 N 11.65 4.78 -0.33 12.58 1.01 0.70 -2.60 121.20 148.99 1poz s ILE 145 Ca 0.70 2.04 0.01 0.00 0.00 0.00 0.00 60.65 63.40 1poz s ILE 145 Cb 0.00 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.25 1poz s ILE 145 CO 0.15 -0.01 0.04 -0.89 0.00 0.00 0.00 174.94 174.24 1poz s THR 146 N 2.09 2.64 -0.21 2.92 2.01 -0.97 -0.09 115.64 124.03 1poz s THR 146 Ca 0.48 -1.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.30 1poz s THR 146 Cb -0.18 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1poz s THR 146 CO 0.17 -0.41 0.79 -0.63 -0.69 0.00 0.00 174.62 173.86 1poz s ILE 147 N 1.07 4.89 -0.28 1.82 1.09 -0.69 -0.48 121.20 128.61 1poz s ILE 147 Ca 0.03 1.52 -0.16 0.00 -1.10 0.00 0.00 60.65 60.94 1poz s ILE 147 Cb -0.20 -4.09 -0.03 0.00 -1.06 0.00 0.00 42.46 37.08 1poz s ILE 147 CO -0.05 -0.00 0.41 -0.69 -0.10 0.00 0.00 174.94 174.51 1poz s VAL 148 N 2.42 5.14 0.40 2.92 1.01 0.17 -2.28 120.40 130.18 1poz s VAL 148 Ca 0.35 0.58 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 1poz s VAL 148 Cb -0.16 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1poz s VAL 148 CO 0.10 0.09 0.95 0.20 0.00 0.00 0.00 175.10 176.44 1poz s ASN 149 N 1.64 7.03 0.64 3.32 0.02 -0.06 -1.00 114.94 126.54 1poz s ASN 149 Ca 0.16 1.72 0.34 0.00 -1.02 0.00 0.00 52.86 54.06 1poz s ASN 149 Cb -0.16 -2.55 1.88 0.00 0.02 0.00 0.00 41.25 40.45 1poz s ASN 149 CO 0.10 -0.29 2.12 0.03 0.02 0.00 0.00 177.10 179.08 1poz h ARG 150 N 2.21 0.00 -0.94 -0.60 2.47 -1.59 0.72 114.38 116.65 1poz h ARG 150 Ca -0.48 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 1poz h ARG 150 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1poz h ARG 150 CO 0.62 0.00 0.01 -3.47 0.56 0.00 0.00 179.97 177.69 1poz n ASP 151 N -3.27 1.90 -2.63 7.04 2.03 -1.26 -4.83 116.55 115.54 1poz n ASP 151 Ca -0.01 -2.16 -0.15 0.00 0.52 0.00 0.00 54.79 53.00 1poz n ASP 151 Cb 0.28 -0.53 0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1poz n GLY 152 N 0.11 -0.08 3.60 0.27 0.00 0.22 -5.04 105.19 104.28 1poz n GLY 152 Ca 0.05 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1poz n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poz s THR 153 N -3.23 2.54 -0.18 2.61 -4.23 -1.04 -4.93 115.64 107.18 1poz s THR 153 Ca 0.25 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1poz s THR 153 Cb -0.11 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.07 1poz s THR 153 CO 0.50 -0.21 0.39 0.00 -0.54 0.00 0.00 174.62 174.75 1poz s ARG 154 N -3.68 0.30 -0.09 3.99 1.70 -1.26 -0.88 118.95 119.03 1poz s ARG 154 Ca 0.34 0.95 0.02 0.00 -0.47 0.00 0.00 55.73 56.57 1poz s ARG 154 Cb 0.00 0.22 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 1poz s ARG 154 CO 0.18 -0.24 -0.16 1.52 -1.08 0.00 0.00 175.30 175.52 1poz s TYR 155 N 2.41 1.92 0.20 5.89 1.13 -0.96 -4.98 117.35 122.96 1poz s TYR 155 Ca -0.02 -0.83 -0.13 0.00 -1.41 0.00 0.00 57.07 54.67 1poz s TYR 155 Cb -0.12 -1.37 -0.07 0.00 -1.10 0.00 0.00 41.96 39.30 1poz s TYR 155 CO -0.12 -0.41 0.59 0.54 -2.51 0.00 0.00 175.55 173.64 1poz s VAL 156 N 0.78 4.83 0.12 -3.49 0.11 -1.26 -1.70 120.40 119.78 1poz s VAL 156 Ca -0.11 0.78 -0.24 0.00 -2.93 0.00 0.00 61.98 59.47 1poz s VAL 156 Cb -0.16 -3.69 0.08 0.00 -1.53 0.00 0.00 36.38 31.08 1poz s VAL 156 CO 0.02 0.09 0.67 0.00 -3.33 0.00 0.00 175.10 172.55 1poz s GLN 157 N -2.36 1.16 -0.17 1.54 1.03 0.88 -4.96 119.66 116.78 1poz s GLN 157 Ca 0.43 -0.43 -0.02 0.00 0.04 0.00 0.00 55.36 55.39 1poz s GLN 157 Cb -0.13 0.54 -0.01 0.00 0.03 0.00 0.00 33.01 33.43 1poz s GLN 157 CO 0.20 -0.51 -0.10 0.21 -2.54 0.00 0.00 175.29 172.55 1poz s LYS 158 N -3.59 3.35 0.00 9.60 2.20 -1.25 0.25 119.74 130.29 1poz s LYS 158 Ca 0.02 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1poz s LYS 158 Cb -0.01 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1poz s LYS 158 CO -0.12 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1poz n GLY 159 N 4.18 4.20 3.15 5.54 0.00 0.62 -4.85 105.19 118.03 1poz n GLY 159 Ca -0.18 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1poz n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1poz s GLU 160 N 4.54 0.45 -0.00 1.61 0.41 -1.03 -2.07 118.70 122.61 1poz s GLU 160 Ca 0.00 0.45 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 1poz s GLU 160 Cb 0.00 0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.56 1poz s GLU 160 CO 0.00 -0.83 0.63 0.66 -0.49 0.00 0.00 175.26 175.23 1poz n TYR 161 N 5.34 0.00 -0.77 1.61 4.02 -1.26 -3.70 117.16 122.39 1poz n TYR 161 Ca 0.06 -0.02 -0.07 0.00 -0.01 0.00 0.00 57.90 57.86 1poz n TYR 161 Cb 0.55 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 1poz n TYR 161 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1poz n ARG 162 N -0.02 1.53 0.00 -0.72 0.63 -1.26 -4.39 116.66 112.43 1poz n ARG 162 Ca 0.00 -0.56 0.02 0.00 -0.92 0.00 0.00 57.85 56.39 1poz n ARG 162 Cb 0.54 -1.52 0.14 0.00 0.45 0.00 0.00 32.46 32.08 1poz n ARG 162 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1poz n THR 163 N 1.94 0.00 -3.83 5.15 -2.24 -1.26 -4.37 114.28 109.67 1poz n THR 163 Ca 0.22 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.71 1poz n THR 163 Cb 0.70 -0.13 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1poz n THR 163 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1poz s ASN 164 N -1.25 3.99 0.14 3.42 3.84 -1.26 -4.93 114.94 118.90 1poz s ASN 164 Ca 0.07 -2.88 0.09 0.00 0.21 0.00 0.00 52.86 50.34 1poz s ASN 164 Cb 0.03 -1.34 0.46 0.00 -0.55 0.00 0.00 41.25 39.85 1poz s ASN 164 CO 0.06 -0.24 1.21 -2.65 -2.79 0.00 0.00 177.10 172.69 1poz n PRO 165 N 3.24 0.06 0.12 0.43 -0.02 -1.26 -1.50 135.00 136.07 1poz n PRO 165 Ca 0.08 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1poz n PRO 165 Cb 0.34 -1.76 0.46 0.00 -0.02 0.00 0.00 33.50 32.52 1poz n PRO 165 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1poz n GLU 166 N -1.78 0.13 0.00 -0.52 1.02 -1.26 -1.15 120.64 117.09 1poz n GLU 166 Ca -0.01 0.49 0.14 0.00 -0.02 0.00 0.00 57.16 57.76 1poz n GLU 166 Cb 0.09 -1.83 0.55 0.00 -0.02 0.00 0.00 31.44 30.23 1poz n GLU 166 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1poz n ASP 167 N -2.10 0.35 0.00 1.62 -0.08 -0.56 -3.98 116.55 111.81 1poz n ASP 167 Ca 0.01 -0.24 -0.00 0.00 -1.51 0.00 0.00 54.79 53.04 1poz n ASP 167 Cb 0.13 -0.12 -0.00 0.00 2.34 0.00 0.00 41.12 43.47 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1poz n ILE 168 N -1.20 0.03 -3.83 5.18 5.41 -0.30 -4.95 119.36 119.71 1poz n ILE 168 Ca 0.11 0.11 -0.31 0.00 1.00 0.00 0.00 62.75 63.66 1poz n ILE 168 Cb 0.30 -1.12 -0.11 0.00 -0.71 0.00 0.00 39.64 38.00 1poz n ILE 168 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1poz s TYR 169 N -1.03 3.61 0.01 1.39 -0.85 -0.87 -5.08 117.35 114.54 1poz s TYR 169 Ca -0.00 -3.21 -0.37 0.00 -0.52 0.00 0.00 57.07 52.97 1poz s TYR 169 Cb 0.00 -2.89 -0.16 0.00 0.38 0.00 0.00 41.96 39.29 1poz s TYR 169 CO 0.00 -0.63 1.50 -2.30 -1.52 0.00 0.00 175.55 172.60 1poz n PRO 170 N 2.28 1.40 -1.71 -3.49 -0.02 -1.26 -4.70 135.00 127.50 1poz n PRO 170 Ca 0.18 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1poz n PRO 170 Cb 0.35 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1poz n PRO 170 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1poz n SER 171 N 3.56 2.58 -4.92 2.55 2.88 -1.26 -5.00 113.62 114.02 1poz n SER 171 Ca 0.20 1.07 -0.29 0.00 -1.33 0.00 0.00 58.87 58.51 1poz n SER 171 Cb 0.20 -1.52 -0.04 0.00 -0.75 0.00 0.00 64.21 62.10 1poz n SER 171 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1poz s ASN 172 N -0.64 6.42 0.00 -3.46 2.20 -1.26 -5.05 114.94 113.15 1poz s ASN 172 Ca 0.64 0.44 -0.30 0.00 -0.94 0.00 0.00 52.86 52.70 1poz s ASN 172 Cb -0.47 -2.03 -0.07 0.00 -2.00 0.00 0.00 41.25 36.68 1poz s ASN 172 CO 0.56 0.02 1.69 -2.16 -2.94 0.00 0.00 177.10 174.26 1poz s PRO 173 N -3.00 4.18 0.86 3.55 0.04 -1.26 -4.99 135.00 134.38 1poz s PRO 173 Ca 0.39 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 1poz s PRO 173 Cb -0.12 -3.87 0.11 0.00 0.04 0.00 0.00 34.50 30.66 1poz s PRO 173 CO 0.27 -0.82 1.09 0.99 0.04 0.00 0.00 177.00 178.58 1poz s THR 174 N 3.58 2.86 0.00 1.26 2.01 -1.26 -5.04 115.64 119.05 1poz s THR 174 Ca 0.75 0.28 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1poz s THR 174 Cb -0.37 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1poz s THR 174 CO 0.32 -0.36 0.00 0.47 -0.69 0.00 0.00 174.62 174.36 1poz n ASP 175 N -3.76 0.00 -4.73 3.53 8.00 -1.26 -5.03 116.55 113.30 1poz n ASP 175 Ca 0.07 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.21 1poz n ASP 175 Cb 0.55 -0.20 0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1poz n ASP 175 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1poz s ASP 176 N -3.13 4.52 0.24 -2.24 1.11 -1.26 -4.91 116.67 111.00 1poz s ASP 176 Ca 0.00 2.53 -0.31 0.00 0.18 0.00 0.00 52.55 54.95 1poz s ASP 176 Cb 0.00 -2.61 -0.12 0.00 1.07 0.00 0.00 42.92 41.26 1poz s ASP 176 CO 0.00 -2.05 1.68 -1.81 1.18 0.00 0.00 175.17 174.17 1poz s ASP 177 N -1.59 6.37 0.00 0.27 1.11 -1.26 -5.26 116.67 116.31 1poz s ASP 177 Ca 0.80 2.90 0.26 0.00 0.18 0.00 0.00 52.55 56.69 1poz s ASP 177 Cb -0.34 -2.61 0.67 0.00 1.07 0.00 0.00 42.92 41.70 1poz s ASP 177 CO 0.41 -0.96 1.53 1.33 1.18 0.00 0.00 175.17 178.66