#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 0.66 -0.01 0.00 -2.07 -1.26 -1.78 119.66 115.20 1poz s GLN 21 Ca 0.00 0.81 0.02 0.00 -1.82 0.00 0.00 55.36 54.37 1poz s GLN 21 Cb 0.00 0.31 -0.00 0.00 -1.09 0.00 0.00 33.01 32.22 1poz s GLN 21 CO 0.00 -0.08 -0.07 0.42 -1.32 0.00 0.00 175.29 174.24 1poz s ILE 22 N 0.42 0.54 -0.36 3.63 1.09 -0.84 -4.84 121.20 120.84 1poz s ILE 22 Ca 0.01 -0.28 -0.17 0.00 -1.10 0.00 0.00 60.65 59.10 1poz s ILE 22 Cb -0.05 -0.47 -0.00 0.00 -1.06 0.00 0.00 42.46 40.88 1poz s ILE 22 CO -0.04 0.16 0.48 -1.81 -0.10 0.00 0.00 174.94 173.62 1poz s ASP 23 N -0.07 6.27 0.42 3.58 1.01 -1.26 -3.04 116.67 123.57 1poz s ASP 23 Ca 0.01 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.15 1poz s ASP 23 Cb -0.04 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 1poz s ASP 23 CO -0.00 -0.47 0.62 -0.76 0.21 0.00 0.00 175.17 174.77 1poz s LEU 24 N 2.30 3.76 -0.29 1.23 1.02 0.78 -2.29 118.68 125.18 1poz s LEU 24 Ca 0.17 0.22 0.04 0.00 0.02 0.00 0.00 54.13 54.58 1poz s LEU 24 Cb -0.16 -3.10 0.20 0.00 0.02 0.00 0.00 46.19 43.15 1poz s LEU 24 CO 0.13 -0.60 0.59 0.21 0.02 0.00 0.00 176.35 176.70 1poz s ASN 25 N -4.19 -1.58 0.53 2.29 3.84 0.13 -2.03 114.94 113.93 1poz s ASN 25 Ca 0.47 0.34 0.03 0.00 0.21 0.00 0.00 52.86 53.91 1poz s ASN 25 Cb -0.10 2.07 0.01 0.00 -0.55 0.00 0.00 41.25 42.68 1poz s ASN 25 CO 0.36 -0.29 0.21 0.27 -2.79 0.00 0.00 177.10 174.86 1poz s ILE 26 N 2.84 1.43 -0.18 -5.21 -4.36 0.20 0.63 121.20 116.55 1poz s ILE 26 Ca 0.12 -1.74 0.11 0.00 -0.26 0.00 0.00 60.65 58.89 1poz s ILE 26 Cb -0.11 -2.16 -0.19 0.00 1.25 0.00 0.00 42.46 41.24 1poz s ILE 26 CO -0.25 0.00 -0.01 0.41 0.24 0.00 0.00 174.94 175.33 1poz n THR 27 N -1.52 1.20 0.00 8.37 -1.04 0.11 0.03 114.28 121.43 1poz n THR 27 Ca -0.10 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 1poz n THR 27 Cb 0.66 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz n ARG 29 N -1.37 2.85 -2.66 0.00 3.00 -0.04 -2.46 116.66 115.99 1poz n ARG 29 Ca 0.00 -4.49 -0.43 0.00 -0.01 0.00 0.00 57.85 52.92 1poz n ARG 29 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 32.46 30.01 1poz n ARG 29 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1poz s PHE 30 N -1.50 3.34 0.00 -1.55 0.40 -0.19 -1.22 117.98 117.26 1poz s PHE 30 Ca 0.29 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 58.09 1poz s PHE 30 Cb -0.06 -3.27 0.00 0.00 0.51 0.00 0.00 43.02 40.20 1poz s PHE 30 CO -0.11 -0.49 0.00 0.00 0.70 0.00 0.00 175.22 175.32 1poz n ALA 31 N 6.24 0.00 0.00 5.36 0.00 -0.97 -2.01 120.51 129.13 1poz n ALA 31 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1poz n ALA 31 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.85 0.03 3.26 0.00 0.00 0.22 -1.94 105.19 104.91 1poz n GLY 32 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.87 3.10 -0.27 1.61 1.01 -0.85 -1.76 120.40 122.37 1poz s VAL 33 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1poz s VAL 33 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1poz s VAL 33 CO 0.00 0.38 -0.00 0.12 0.00 0.00 0.00 175.10 175.60 1poz s PHE 34 N 1.42 3.11 -0.36 5.22 5.36 -0.26 -1.03 117.98 131.45 1poz s PHE 34 Ca 0.04 -1.35 -0.28 0.00 -0.96 0.00 0.00 56.93 54.38 1poz s PHE 34 Cb -0.15 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1poz s PHE 34 CO -0.05 -0.67 1.05 -1.58 -1.46 0.00 0.00 175.22 172.51 1poz s HIS 35 N 1.39 3.07 0.07 10.12 5.65 -1.03 -2.58 115.29 131.99 1poz s HIS 35 Ca 0.01 1.02 -0.11 0.00 0.25 0.00 0.00 55.06 56.23 1poz s HIS 35 Cb -0.17 -3.82 -0.06 0.00 -1.18 0.00 0.00 32.58 27.36 1poz s HIS 35 CO -0.02 -0.87 0.40 0.54 -0.65 0.00 0.00 174.74 174.15 1poz s VAL 36 N 3.76 5.08 0.40 0.89 0.11 0.68 0.05 120.40 131.37 1poz s VAL 36 Ca 0.44 0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 59.85 1poz s VAL 36 Cb -0.11 -3.65 0.06 0.00 -1.53 0.00 0.00 36.38 31.14 1poz s VAL 36 CO 0.19 0.33 0.80 -0.70 -3.33 0.00 0.00 175.10 172.39 1poz s GLU 37 N -1.80 2.30 0.37 1.54 -6.30 0.21 -1.99 118.70 113.02 1poz s GLU 37 Ca 0.32 -1.50 0.08 0.00 -2.50 0.00 0.00 54.97 51.37 1poz s GLU 37 Cb -0.14 0.63 -0.04 0.00 0.00 0.00 0.00 34.13 34.58 1poz s GLU 37 CO 0.17 -1.08 0.20 0.21 0.02 0.00 0.00 175.26 174.79 1poz s LYS 38 N -2.10 2.39 -0.87 4.30 2.36 -1.24 0.23 119.74 124.80 1poz s LYS 38 Ca 0.16 -1.60 -0.23 0.00 -2.55 0.00 0.00 55.97 51.75 1poz s LYS 38 Cb -0.05 -2.18 -0.21 0.00 -1.05 0.00 0.00 37.83 34.34 1poz s LYS 38 CO 0.12 0.00 2.45 -1.71 1.55 0.00 0.00 175.35 177.77 1poz n ASN 39 N -1.25 0.43 -3.01 1.43 5.15 -0.97 -1.15 115.26 115.90 1poz n ASN 39 Ca -0.01 -0.40 -0.17 0.00 -0.60 0.00 0.00 54.58 53.40 1poz n ASN 39 Cb 0.62 -1.06 -0.01 0.00 -0.53 0.00 0.00 39.78 38.81 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1poz n GLY 40 N 6.18 -0.49 0.00 8.20 0.00 -1.26 -4.93 105.19 112.89 1poz n GLY 40 Ca 0.58 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 1.74 0.00 1.61 0.00 -0.30 -4.99 116.66 111.45 1poz n ARG 41 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1poz n ARG 41 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 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 -0.28 0.00 -1.64 -0.14 9.36 -1.26 -4.97 117.16 118.23 1poz n TYR 42 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1poz n TYR 42 Cb 0.00 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.91 1poz n TYR 42 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1poz n SER 43 N 0.00 1.68 -4.83 2.98 2.88 -1.26 0.70 113.62 115.77 1poz n SER 43 Ca 0.00 -3.79 -0.32 0.00 -1.33 0.00 0.00 58.87 53.42 1poz n SER 43 Cb 0.00 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1poz s ILE 44 N -3.06 4.48 0.00 2.46 1.01 -0.82 -4.54 121.20 120.73 1poz s ILE 44 Ca 0.38 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1poz s ILE 44 Cb 0.37 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1poz s ILE 44 CO -0.07 -0.54 0.00 -1.20 0.00 0.00 0.00 174.94 173.13 1poz n SER 45 N -1.20 1.50 0.19 3.58 7.64 -1.26 -2.89 113.62 121.18 1poz n SER 45 Ca 0.07 -0.53 0.08 0.00 1.01 0.00 0.00 58.87 59.49 1poz n SER 45 Cb 0.54 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.17 1.43 2.43 -1.96 -3.00 114.38 113.46 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 0.26 -0.08 1.15 -1.51 0.00 0.00 179.97 179.79 1poz h THR 47 N 0.00 0.00 -0.36 0.20 2.02 -1.97 0.12 112.91 112.92 1poz h THR 47 Ca -0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1poz h THR 47 Cb 1.11 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1poz h THR 47 CO 0.03 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.81 1poz h GLU 48 N -0.23 0.48 0.00 6.66 3.07 -1.90 -1.48 114.58 121.18 1poz h GLU 48 Ca -0.02 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1poz h GLU 48 Cb 0.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1poz h GLU 48 CO 0.04 0.36 0.00 0.00 -1.40 0.00 0.00 179.01 178.01 1poz n ALA 49 N -2.21 -0.27 0.10 3.43 0.00 -1.13 -2.01 120.51 118.42 1poz n ALA 49 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.62 1poz n ALA 49 Cb 0.05 0.09 0.58 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.85 2.16 -1.58 0.00 0.00 -0.83 0.13 119.26 117.29 1poz h ALA 50 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1poz h ALA 50 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1poz h ALA 50 CO 0.00 -0.93 0.00 -0.25 0.00 0.00 0.00 179.25 178.07 1poz n ASP 51 N -3.24 0.00 -0.18 0.00 8.00 -0.56 -2.30 116.55 118.28 1poz n ASP 51 Ca 0.09 0.66 -0.08 0.00 0.71 0.00 0.00 54.79 56.17 1poz n ASP 51 Cb 0.87 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.80 1poz n ASP 51 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1poz h LEU 52 N 0.00 0.96 -0.64 0.64 8.10 -1.14 -1.92 115.31 121.31 1poz h LEU 52 Ca 0.00 -0.27 0.11 0.00 0.11 0.00 0.00 57.88 57.83 1poz h LEU 52 Cb 0.00 -0.26 -0.12 0.00 -0.44 0.00 0.00 40.66 39.84 1poz h LEU 52 CO 0.00 1.03 -0.37 0.00 -4.11 0.00 0.00 178.44 174.99 1poz h LYS 54 N -0.16 0.00 -0.76 0.00 2.10 -1.35 -2.57 116.57 113.84 1poz h LYS 54 Ca 0.23 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 59.06 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 -0.73 0.29 0.14 0.00 -2.00 0.00 0.00 179.45 177.15 1poz h ALA 55 N 1.71 0.95 -0.78 0.07 0.00 0.18 0.25 119.26 121.64 1poz h ALA 55 Ca -0.00 0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.57 1poz h ALA 55 Cb 0.72 0.30 -0.23 0.00 0.00 0.00 0.00 17.79 18.59 1poz h ALA 55 CO 0.04 -0.39 0.68 1.97 0.00 0.00 0.00 179.25 181.56 1poz n PHE 56 N -5.22 2.51 -3.77 0.00 -1.74 -1.01 0.11 117.46 108.34 1poz n PHE 56 Ca 0.15 -2.57 -0.23 0.00 -0.56 0.00 0.00 57.45 54.24 1poz n PHE 56 Cb 0.50 -1.25 0.02 0.00 1.52 0.00 0.00 39.48 40.27 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 -0.37 -1.19 -4.57 5.98 4.13 0.88 -4.51 115.26 115.60 1poz n ASN 57 Ca 0.49 -0.89 -0.25 0.00 1.68 0.00 0.00 54.58 55.61 1poz n ASN 57 Cb 0.62 -3.72 -0.09 0.00 -1.54 0.00 0.00 39.78 35.05 1poz n ASN 57 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1poz s SER 58 N -4.30 4.21 0.16 6.41 0.15 -0.97 -2.52 113.70 116.83 1poz s SER 58 Ca 0.03 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 56.00 1poz s SER 58 Cb -0.01 -0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1poz s SER 58 CO 0.84 0.05 -0.02 0.42 1.20 0.00 0.00 173.24 175.73 1poz s THR 59 N -2.11 0.72 0.07 6.45 -4.23 -0.96 -3.83 115.64 111.76 1poz s THR 59 Ca 0.28 -1.98 -0.36 0.00 -1.18 0.00 0.00 61.69 58.46 1poz s THR 59 Cb -0.07 -2.02 -0.19 0.00 1.34 0.00 0.00 72.50 71.56 1poz s THR 59 CO 0.17 -0.56 0.92 0.18 -0.54 0.00 0.00 174.62 174.78 1poz n LEU 60 N -0.21 -0.23 -4.59 4.79 4.77 -1.26 -1.64 117.00 118.63 1poz n LEU 60 Ca -0.08 1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 56.63 1poz n LEU 60 Cb 0.63 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1poz n LEU 60 CO 0.33 -2.17 1.60 -2.16 -1.33 0.00 0.00 177.39 173.66 1poz s PRO 61 N -0.32 3.14 0.39 3.23 0.04 -1.25 -4.60 135.00 135.63 1poz s PRO 61 Ca 0.81 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 1poz s PRO 61 Cb -1.13 -4.26 0.09 0.00 0.04 0.00 0.00 34.50 29.23 1poz s PRO 61 CO 0.56 -2.09 0.53 0.25 0.04 0.00 0.00 177.00 176.29 1poz n THR 62 N 7.46 0.00 0.23 1.26 -2.24 -1.26 0.55 114.28 120.27 1poz n THR 62 Ca 0.24 -0.49 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1poz n THR 62 Cb 0.48 -1.61 0.37 0.00 -2.10 0.00 0.00 70.33 67.47 1poz n THR 62 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1poz h MET 63 N 0.00 0.00 0.00 -0.78 2.86 -1.99 -2.53 114.93 112.49 1poz h MET 63 Ca -0.17 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1poz h MET 63 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1poz h MET 63 CO 0.14 0.13 -0.40 0.00 1.06 0.00 0.00 176.91 177.83 1poz h ALA 64 N 1.87 0.07 -0.93 6.32 0.00 -1.98 -2.47 119.26 122.14 1poz h ALA 64 Ca -0.00 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.30 1poz h ALA 64 Cb 0.85 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1poz h ALA 64 CO 0.02 0.24 0.62 1.96 0.00 0.00 0.00 179.25 182.09 1poz h GLN 65 N -1.00 1.23 0.23 0.00 4.20 -1.94 -0.46 115.11 117.36 1poz h GLN 65 Ca -0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1poz h GLN 65 Cb 0.87 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1poz h GLN 65 CO -0.06 0.81 -0.11 0.52 -0.67 0.00 0.00 178.83 179.32 1poz h MET 66 N 1.26 -0.30 -0.04 1.46 2.86 -1.61 -2.50 114.93 116.07 1poz h MET 66 Ca 0.34 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.04 1poz h MET 66 Cb -0.14 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1poz h MET 66 CO -0.08 0.03 -0.23 0.93 1.06 0.00 0.00 176.91 178.63 1poz h GLU 67 N -0.96 -0.32 -0.47 1.72 5.08 -1.41 0.71 114.58 118.92 1poz h GLU 67 Ca -0.03 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1poz h GLU 67 Cb 0.46 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1poz h GLU 67 CO 0.05 -0.22 0.09 -0.22 -1.00 0.00 0.00 179.01 177.72 1poz h LYS 68 N -0.34 0.22 0.00 2.33 3.64 -1.21 0.70 116.57 121.91 1poz h LYS 68 Ca 0.07 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1poz h LYS 68 Cb 0.44 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1poz h LYS 68 CO -0.23 0.15 -0.15 0.00 -2.27 0.00 0.00 179.45 176.94 1poz h ALA 69 N 1.37 1.29 0.02 5.00 0.00 -0.89 -1.44 119.26 124.59 1poz h ALA 69 Ca 0.23 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1poz h ALA 69 Cb 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1poz h ALA 69 CO -0.31 0.19 -1.19 -0.07 0.00 0.00 0.00 179.25 177.88 1poz h LEU 70 N 0.00 0.06 -0.71 0.00 4.07 0.40 -1.82 115.31 117.32 1poz h LEU 70 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1poz h LEU 70 Cb 0.40 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1poz h LEU 70 CO 0.02 1.06 -0.02 -1.54 -1.08 0.00 0.00 178.44 176.87 1poz n SER 71 N -3.31 1.13 -0.41 -0.43 3.41 0.21 -3.46 113.62 110.75 1poz n SER 71 Ca -0.05 -1.31 0.07 0.00 -0.26 0.00 0.00 58.87 57.32 1poz n SER 71 Cb 0.97 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.95 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1poz n ILE 72 N -0.17 0.00 -0.10 -1.33 -6.64 -0.60 -4.99 119.36 105.53 1poz n ILE 72 Ca 0.19 -0.40 0.00 0.00 -1.77 0.00 0.00 62.75 60.78 1poz n ILE 72 Cb 0.30 1.22 0.00 0.00 -1.44 0.00 0.00 39.64 39.72 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 1.01 0.89 3.05 3.28 0.00 -1.21 -4.77 105.19 107.43 1poz n GLY 73 Ca 0.07 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.01 -0.37 -0.24 1.61 5.36 -0.69 -5.01 117.98 116.64 1poz s PHE 74 Ca 0.00 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.57 1poz s PHE 74 Cb 0.00 0.03 0.12 0.00 -0.34 0.00 0.00 43.02 42.83 1poz s PHE 74 CO 0.00 -0.28 1.02 -1.83 -1.46 0.00 0.00 175.22 172.68 1poz s GLU 75 N 1.65 0.53 0.20 10.12 -1.05 -1.26 -4.16 118.70 124.74 1poz s GLU 75 Ca -0.06 0.42 0.09 0.00 -0.15 0.00 0.00 54.97 55.27 1poz s GLU 75 Cb -0.11 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1poz s GLU 75 CO -0.09 -0.11 -0.03 0.95 0.95 0.00 0.00 175.26 176.93 1poz s THR 76 N -0.26 3.46 -0.68 1.83 -4.23 -1.26 -4.93 115.64 109.56 1poz s THR 76 Ca 0.01 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1poz s THR 76 Cb -0.03 -2.76 0.39 0.00 1.34 0.00 0.00 72.50 71.44 1poz s THR 76 CO -0.03 -0.19 2.06 0.00 -0.54 0.00 0.00 174.62 175.92 1poz s ARG 78 N -3.66 1.08 -0.14 0.00 3.52 -1.26 -4.97 118.95 113.52 1poz s ARG 78 Ca 0.59 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 1poz s ARG 78 Cb 0.47 0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 34.29 1poz s ARG 78 CO -0.12 -0.42 1.82 0.71 -0.81 0.00 0.00 175.30 176.48 1poz s TYR 79 N -3.45 1.72 -0.14 5.12 2.02 -1.26 -4.78 117.35 116.57 1poz s TYR 79 Ca 0.01 0.27 0.02 0.00 -0.37 0.00 0.00 57.07 57.00 1poz s TYR 79 Cb 0.01 -4.02 0.01 0.00 -0.40 0.00 0.00 41.96 37.56 1poz s TYR 79 CO -0.10 -3.86 -0.18 0.20 -1.57 0.00 0.00 175.55 170.04 1poz s GLY 80 N 4.96 1.23 0.28 0.71 0.00 0.27 0.38 107.32 115.15 1poz s GLY 80 Ca 0.81 -0.97 -0.28 0.00 0.00 0.00 0.00 44.72 44.27 1poz s GLY 80 CO 0.33 0.19 1.03 0.69 0.00 0.00 0.00 173.10 175.34 1poz n PHE 81 N 4.31 1.31 -2.24 1.90 3.72 -0.61 -0.93 117.46 124.92 1poz n PHE 81 Ca -0.19 0.70 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 1poz n PHE 81 Cb 0.51 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.79 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 0.33 0.00 0.17 4.37 0.13 0.26 -2.47 119.36 122.16 1poz n ILE 82 Ca 0.10 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 61.79 1poz n ILE 82 Cb 0.32 -0.56 0.23 0.00 -0.84 0.00 0.00 39.64 38.78 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 -0.22 -3.28 114.58 124.70 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 -1.27 0.00 3.64 1.06 0.00 -1.26 -4.87 105.19 102.49 1poz n GLY 84 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.31 -0.20 1.61 3.76 -1.24 -5.12 115.29 113.79 1poz s HIS 85 Ca 0.00 0.77 -0.28 0.00 -0.15 0.00 0.00 55.06 55.39 1poz s HIS 85 Cb 0.00 0.41 -0.05 0.00 1.11 0.00 0.00 32.58 34.05 1poz s HIS 85 CO 0.00 -0.15 2.20 0.54 -0.85 0.00 0.00 174.74 176.48 1poz s VAL 86 N 0.15 3.01 0.39 -0.90 0.11 -1.26 0.90 120.40 122.79 1poz s VAL 86 Ca 0.05 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 1poz s VAL 86 Cb -0.05 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 1poz s VAL 86 CO -0.10 -0.01 0.11 0.68 -3.33 0.00 0.00 175.10 172.45 1poz s VAL 87 N 7.98 0.74 -0.03 2.04 -7.23 -0.10 -2.25 120.40 121.55 1poz s VAL 87 Ca 0.99 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1poz s VAL 87 Cb -0.34 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.18 1poz s VAL 87 CO 0.36 0.00 0.03 -0.63 -0.31 0.00 0.00 175.10 174.54 1poz s ILE 88 N -3.24 0.03 0.00 -0.62 1.01 0.13 -0.57 121.20 117.94 1poz s ILE 88 Ca 0.27 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1poz s ILE 88 Cb 0.04 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.32 1poz s ILE 88 CO 0.14 0.14 0.00 -2.65 0.00 0.00 0.00 174.94 172.58 1poz n PRO 89 N 4.55 0.63 -2.41 2.79 -0.02 -1.26 -2.55 135.00 136.73 1poz n PRO 89 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.28 1poz n PRO 89 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1poz n PRO 89 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1poz n ARG 90 N 0.00 -0.82 0.00 -0.52 1.74 -1.26 -4.44 116.66 111.35 1poz n ARG 90 Ca 0.00 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1poz n ARG 90 Cb 0.00 -3.96 0.00 0.00 -1.02 0.00 0.00 32.46 27.48 1poz n ARG 90 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1poz n ILE 91 N -1.57 0.00 -2.99 0.55 5.41 -1.26 -4.00 119.36 115.50 1poz n ILE 91 Ca -0.00 1.10 -0.16 0.00 1.00 0.00 0.00 62.75 64.69 1poz n ILE 91 Cb 0.51 -1.55 -0.00 0.00 -0.71 0.00 0.00 39.64 37.89 1poz n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz n HIS 92 N -1.84 -1.51 0.00 1.39 1.44 -1.26 -3.32 115.22 110.12 1poz n HIS 92 Ca 0.00 -2.87 0.00 0.00 -2.01 0.00 0.00 57.72 52.84 1poz n HIS 92 Cb 0.00 0.50 0.00 0.00 0.12 0.00 0.00 29.99 30.61 1poz n HIS 92 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1poz n PRO 93 N 1.09 0.00 -0.55 -1.40 -0.04 -1.26 -4.89 135.00 127.94 1poz n PRO 93 Ca 0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1poz n PRO 93 Cb 0.61 -0.43 -0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1poz n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1poz n ASN 94 N -0.12 -0.01 -2.04 3.54 3.02 -1.26 -4.99 115.26 113.40 1poz n ASN 94 Ca 0.00 -1.48 -0.20 0.00 -0.03 0.00 0.00 54.58 52.87 1poz n ASN 94 Cb 0.00 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.05 1poz n ASN 94 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1poz n SER 95 N 0.02 -5.66 0.00 6.41 7.64 -1.26 -4.91 113.62 115.85 1poz n SER 95 Ca -0.01 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1poz n SER 95 Cb 0.61 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1poz n ILE 96 N -3.44 0.00 -2.13 0.44 2.08 -1.26 -3.92 119.36 111.13 1poz n ILE 96 Ca -0.23 0.39 -0.32 0.00 0.56 0.00 0.00 62.75 63.16 1poz n ILE 96 Cb 0.68 -1.19 -0.01 0.00 -0.75 0.00 0.00 39.64 38.37 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 -2.09 -0.80 -0.75 0.00 0.00 -1.26 -4.63 120.51 110.97 1poz n ALA 98 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1poz n ALA 98 Cb 0.54 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.51 0.00 0.33 0.00 0.00 -1.24 -3.73 120.51 113.36 1poz n ALA 99 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1poz n ALA 99 Cb 0.62 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.27 1poz n ALA 99 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1poz h ASN 100 N 0.00 0.00 -2.57 0.00 4.21 -1.82 -3.35 115.58 112.04 1poz h ASN 100 Ca 0.00 -0.02 -0.57 0.00 1.21 0.00 0.00 56.30 56.92 1poz h ASN 100 Cb 0.00 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 37.27 1poz h ASN 100 CO 0.00 0.01 0.74 0.59 -1.29 0.00 0.00 177.43 177.48 1poz n ASN 101 N -2.75 3.08 -4.69 5.81 3.02 -1.24 -4.79 115.26 113.70 1poz n ASN 101 Ca 0.04 1.11 -0.23 0.00 -0.03 0.00 0.00 54.58 55.47 1poz n ASN 101 Cb 0.50 -1.45 -0.07 0.00 -0.61 0.00 0.00 39.78 38.15 1poz n ASN 101 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1poz s THR 102 N 0.41 3.43 0.00 3.41 -4.23 -1.26 -4.94 115.64 112.46 1poz s THR 102 Ca 0.72 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1poz s THR 102 Cb -0.64 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1poz s THR 102 CO 0.44 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1poz n GLY 103 N -1.00 -0.08 3.55 3.99 0.00 -1.21 -4.67 105.19 105.77 1poz n GLY 103 Ca -0.06 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1poz n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1poz s VAL 104 N 0.00 3.46 -0.46 1.61 0.11 -1.26 -4.43 120.40 119.42 1poz s VAL 104 Ca 0.00 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 1poz s VAL 104 Cb 0.00 -4.15 0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1poz s VAL 104 CO 0.00 -1.10 0.48 -0.47 -3.33 0.00 0.00 175.10 170.68 1poz s TYR 105 N 8.66 3.15 0.49 1.54 5.04 -1.06 -4.83 117.35 130.35 1poz s TYR 105 Ca 0.62 -0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1poz s TYR 105 Cb -0.10 -3.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.00 1poz s TYR 105 CO 0.13 -0.83 0.80 0.42 -1.34 0.00 0.00 175.55 174.72 1poz s ILE 106 N 2.15 4.90 0.34 3.14 1.01 -1.25 0.19 121.20 131.68 1poz s ILE 106 Ca 0.11 0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 1poz s ILE 106 Cb -0.20 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 1poz s ILE 106 CO 0.11 -0.86 0.80 -0.22 0.00 0.00 0.00 174.94 174.78 1poz s LEU 107 N -4.74 4.06 -0.37 2.97 2.96 -0.95 -4.96 118.68 117.64 1poz s LEU 107 Ca 0.48 1.43 0.12 0.00 -0.22 0.00 0.00 54.13 55.94 1poz s LEU 107 Cb -0.10 -4.17 0.36 0.00 0.50 0.00 0.00 46.19 42.78 1poz s LEU 107 CO 0.45 -0.22 0.76 0.35 -1.32 0.00 0.00 176.35 176.37 1poz n THR 108 N -0.31 -0.10 0.00 3.68 -2.24 -1.26 -4.82 114.28 109.23 1poz n THR 108 Ca 0.04 -4.35 0.00 0.00 -2.27 0.00 0.00 64.05 57.47 1poz n THR 108 Cb 0.53 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1poz n THR 108 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1poz n SER 109 N 0.26 0.00 0.00 3.42 7.64 -1.26 -5.09 113.62 118.60 1poz n SER 109 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1poz n SER 109 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1poz n SER 109 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1poz n ASN 110 N -0.03 0.00 0.00 6.43 3.02 -1.26 -4.84 115.26 118.58 1poz n ASN 110 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1poz n ASN 110 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1poz n ASN 110 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1poz n THR 111 N 0.00 0.00 0.00 3.41 -1.04 -1.26 -3.76 114.28 111.63 1poz n THR 111 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1poz n THR 111 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 5.49 0.00 0.00 8.00 7.64 -1.26 -5.14 113.62 128.35 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 -3.66 1.43 1.13 -0.80 -4.87 117.38 110.61 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 -1.39 1.08 0.18 0.22 -4.68 117.16 112.58 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1poz n ASP 115 N 1.99 0.00 -3.63 9.48 8.00 0.16 -1.95 116.55 130.60 1poz n ASP 115 Ca 0.00 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 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 1.05 0.00 0.43 -3.53 2.01 -0.84 -1.57 115.64 113.18 1poz s THR 116 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1poz s THR 116 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1poz s THR 116 CO 0.00 0.00 0.59 -0.31 -0.69 0.00 0.00 174.62 174.21 1poz s TYR 117 N 0.71 2.90 -0.30 4.92 1.51 -1.03 -0.23 117.35 125.83 1poz s TYR 117 Ca -0.03 -0.27 -0.16 0.00 -1.01 0.00 0.00 57.07 55.60 1poz s TYR 117 Cb -0.05 -2.37 0.17 0.00 -0.11 0.00 0.00 41.96 39.61 1poz s TYR 117 CO -0.05 -0.42 1.08 0.00 -1.11 0.00 0.00 175.55 175.06 1poz s PHE 119 N 2.18 3.08 -0.19 0.00 2.19 -0.65 -1.10 117.98 123.48 1poz s PHE 119 Ca -0.03 0.14 -0.09 0.00 0.33 0.00 0.00 56.93 57.28 1poz s PHE 119 Cb -0.04 -3.36 -0.05 0.00 -1.31 0.00 0.00 43.02 38.26 1poz s PHE 119 CO -0.17 -0.82 0.12 0.54 1.83 0.00 0.00 175.22 176.73 1poz s ASN 120 N 1.96 6.13 0.65 6.13 2.20 -0.72 -2.26 114.94 129.04 1poz s ASN 120 Ca 0.25 0.23 0.43 0.00 -0.94 0.00 0.00 52.86 52.83 1poz s ASN 120 Cb -0.14 -2.06 2.33 0.00 -2.00 0.00 0.00 41.25 39.37 1poz s ASN 120 CO 0.18 0.20 2.35 0.00 -2.94 0.00 0.00 177.10 176.90 1poz h ALA 121 N 6.50 1.06 0.00 3.54 0.00 -1.76 0.15 119.26 128.75 1poz h ALA 121 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1poz h ALA 121 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1poz h ALA 121 CO 0.73 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.75 1poz h SER 122 N 0.00 0.00 -3.23 0.00 0.02 -1.79 -3.43 113.55 105.12 1poz h SER 122 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1poz h SER 122 Cb 0.02 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1poz h SER 122 CO 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.63 1poz s ALA 123 N -3.61 3.57 0.58 3.77 0.00 0.52 -5.05 121.76 121.54 1poz s ALA 123 Ca 0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 1poz s ALA 123 Cb 0.09 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1poz s ALA 123 CO 0.48 0.32 1.20 -2.30 0.00 0.00 0.00 175.76 175.45 1poz n PRO 124 N 2.17 1.28 -0.92 0.00 -0.02 -1.26 -4.46 135.00 131.78 1poz n PRO 124 Ca -0.10 0.48 -0.14 0.00 -2.02 0.00 0.00 63.50 61.72 1poz n PRO 124 Cb 0.51 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 1poz n PRO 124 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1poz n PRO 125 N -1.15 2.00 0.00 0.52 -0.04 -1.19 -0.61 135.00 134.52 1poz n PRO 125 Ca 0.13 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1poz n PRO 125 Cb 0.46 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 2.76 0.00 0.00 0.54 0.28 -0.82 -4.79 120.64 118.61 1poz n GLU 126 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1poz n GLU 126 Cb 0.70 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.57 1poz n GLU 126 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1poz n GLU 127 N -0.04 0.00 -3.60 3.44 0.28 -1.26 -2.30 120.64 117.16 1poz n GLU 127 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1poz n GLU 127 Cb 0.00 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.70 1poz n GLU 127 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1poz s ASP 128 N 0.00 2.62 -0.17 -1.84 1.11 -0.36 -4.54 116.67 113.49 1poz s ASP 128 Ca 0.00 -0.76 0.16 0.00 0.18 0.00 0.00 52.55 52.13 1poz s ASP 128 Cb 0.00 -0.29 0.72 0.00 1.07 0.00 0.00 42.92 44.42 1poz s ASP 128 CO 0.00 -0.37 1.64 0.00 1.18 0.00 0.00 175.17 177.62 1poz n THR 130 N 0.65 0.00 -2.14 0.00 -2.24 -1.26 -4.78 114.28 104.51 1poz n THR 130 Ca 0.25 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 1poz n THR 130 Cb 1.00 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1poz n THR 130 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1poz s SER 131 N -1.64 5.75 0.00 3.42 1.04 -1.26 -4.84 113.70 116.17 1poz s SER 131 Ca 0.51 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1poz s SER 131 Cb -0.09 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1poz s SER 131 CO 0.67 -1.94 0.43 0.52 0.98 0.00 0.00 173.24 173.90 1poz n VAL 132 N 7.18 0.00 -0.74 5.02 0.31 -1.26 -4.68 118.33 124.16 1poz n VAL 132 Ca 0.19 0.93 -0.03 0.00 -0.01 0.00 0.00 64.34 65.42 1poz n VAL 132 Cb 0.49 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1poz n THR 133 N -0.59 0.00 0.00 2.52 5.66 -1.26 -4.79 114.28 115.82 1poz n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1poz n THR 133 Cb 0.00 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 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 1.12 0.00 -3.78 1.09 8.00 -1.26 -4.88 116.55 116.85 1poz n ASP 134 Ca -0.03 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.18 1poz n ASP 134 Cb 0.16 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1poz n LEU 135 N 0.00 -1.92 0.00 0.64 4.77 -1.25 -4.80 117.00 114.44 1poz n LEU 135 Ca 0.00 -0.69 0.05 0.00 -0.03 0.00 0.00 56.01 55.34 1poz n LEU 135 Cb 0.00 -2.26 0.28 0.00 -2.33 0.00 0.00 43.42 39.10 1poz n LEU 135 CO 0.00 0.29 0.54 -0.81 -1.33 0.00 0.00 177.39 176.08 1poz n PRO 136 N -4.22 0.26 0.04 3.23 -0.04 -0.71 -2.02 135.00 131.54 1poz n PRO 136 Ca 0.03 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1poz n PRO 136 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.08 0.64 -3.90 3.54 3.02 0.29 -4.90 115.26 112.86 1poz n ASN 137 Ca 0.07 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1poz n ASN 137 Cb 0.05 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.77 0.00 -2.20 5.41 0.00 -0.86 -4.86 120.51 116.23 1poz n ALA 138 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1poz n ALA 138 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 0.94 0.55 0.00 -0.71 -1.07 -4.96 117.98 112.72 1poz s PHE 139 Ca 0.00 -0.88 -0.20 0.00 -1.04 0.00 0.00 56.93 54.81 1poz s PHE 139 Cb 0.00 -0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 41.21 1poz s PHE 139 CO 0.00 -0.11 0.99 -0.40 -1.34 0.00 0.00 175.22 174.36 1poz n ASP 140 N -0.01 1.01 0.00 1.98 5.75 -1.26 -0.79 116.55 123.22 1poz n ASP 140 Ca -0.12 0.88 0.00 0.00 -0.01 0.00 0.00 54.79 55.54 1poz n ASP 140 Cb 0.61 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 1poz n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1poz n GLY 141 N 1.23 3.89 0.02 6.12 0.00 -1.11 -4.48 105.19 110.86 1poz n GLY 141 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.14 0.34 -1.79 1.61 -0.02 -1.24 -1.08 135.00 131.68 1poz n PRO 142 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1poz n PRO 142 Cb 0.00 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.96 3.22 -1.03 4.25 1.01 -0.75 -4.60 121.20 121.34 1poz s ILE 143 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.60 1poz s ILE 143 Cb 0.00 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 39.00 1poz s ILE 143 CO 0.00 -0.27 2.05 -0.89 0.00 0.00 0.00 174.94 175.83 1poz s THR 144 N 8.68 3.33 -1.02 2.92 2.01 -0.73 -0.64 115.64 130.18 1poz s THR 144 Ca 0.88 -0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 1poz s THR 144 Cb -0.23 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.26 1poz s THR 144 CO 0.31 -0.63 1.45 -0.63 -0.69 0.00 0.00 174.62 174.44 1poz s ILE 145 N 12.70 3.92 -0.41 1.82 1.01 0.39 -1.99 121.20 138.63 1poz s ILE 145 Ca 0.75 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1poz s ILE 145 Cb -0.05 -5.05 0.03 0.00 0.01 0.00 0.00 42.46 37.40 1poz s ILE 145 CO 0.10 -1.93 0.28 -0.89 0.00 0.00 0.00 174.94 172.49 1poz s THR 146 N 5.01 4.93 -0.26 2.92 2.01 -1.17 -1.24 115.64 127.85 1poz s THR 146 Ca 0.46 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.44 1poz s THR 146 Cb -0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1poz s THR 146 CO -0.10 -0.34 0.50 -0.63 -0.69 0.00 0.00 174.62 173.37 1poz s ILE 147 N 1.61 5.08 -0.42 1.82 1.09 -0.34 -0.16 121.20 129.88 1poz s ILE 147 Ca 0.04 0.85 -0.16 0.00 -1.10 0.00 0.00 60.65 60.28 1poz s ILE 147 Cb -0.20 -3.82 0.02 0.00 -1.06 0.00 0.00 42.46 37.41 1poz s ILE 147 CO 0.08 0.10 0.38 -0.69 -0.10 0.00 0.00 174.94 174.70 1poz s VAL 148 N 2.26 5.16 0.32 2.92 1.01 -0.86 -2.14 120.40 129.08 1poz s VAL 148 Ca 0.21 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 1poz s VAL 148 Cb -0.16 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1poz s VAL 148 CO 0.09 -0.39 0.85 0.20 0.00 0.00 0.00 175.10 175.86 1poz s ASN 149 N 1.79 7.06 0.56 3.32 0.02 -0.36 0.62 114.94 127.96 1poz s ASN 149 Ca 0.09 1.59 0.25 0.00 -1.02 0.00 0.00 52.86 53.77 1poz s ASN 149 Cb -0.18 -2.49 1.37 0.00 0.02 0.00 0.00 41.25 39.97 1poz s ASN 149 CO 0.12 -0.14 1.75 0.03 0.02 0.00 0.00 177.10 178.87 1poz h ARG 150 N 2.74 0.00 -1.00 -0.60 2.47 -0.45 -0.92 114.38 116.63 1poz h ARG 150 Ca -0.48 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 1poz h ARG 150 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1poz h ARG 150 CO 0.64 0.00 0.03 -3.47 0.56 0.00 0.00 179.97 177.73 1poz n ASP 151 N -2.64 2.83 -3.56 7.04 -0.08 -1.26 -4.78 116.55 114.10 1poz n ASP 151 Ca -0.02 -2.07 -0.26 0.00 -1.51 0.00 0.00 54.79 50.93 1poz n ASP 151 Cb 0.35 -0.51 0.03 0.00 2.34 0.00 0.00 41.12 43.32 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1poz n GLY 152 N 0.38 -0.51 3.55 0.27 0.00 -0.37 -4.98 105.19 103.53 1poz n GLY 152 Ca 0.03 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.21 3.10 -0.12 2.61 -4.23 -1.05 -4.98 115.64 107.77 1poz s THR 153 Ca 0.52 -1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1poz s THR 153 Cb -0.25 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.11 1poz s THR 153 CO 0.65 -0.11 0.19 0.00 -0.54 0.00 0.00 174.62 174.80 1poz s ARG 154 N -2.82 0.08 -0.13 3.99 1.70 -1.26 -1.22 118.95 119.29 1poz s ARG 154 Ca 0.24 0.50 -0.00 0.00 -0.47 0.00 0.00 55.73 56.01 1poz s ARG 154 Cb -0.09 -0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 33.81 1poz s ARG 154 CO 0.15 -0.38 -0.13 0.71 -1.08 0.00 0.00 175.30 174.56 1poz s TYR 155 N 2.32 2.81 -0.19 5.89 2.02 -0.91 -4.97 117.35 124.31 1poz s TYR 155 Ca 0.03 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 1poz s TYR 155 Cb -0.13 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1poz s TYR 155 CO -0.08 -0.23 0.20 0.54 -1.57 0.00 0.00 175.55 174.42 1poz s VAL 156 N 0.37 5.36 0.14 0.71 0.11 -1.26 -1.20 120.40 124.63 1poz s VAL 156 Ca -0.11 0.35 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 1poz s VAL 156 Cb -0.16 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1poz s VAL 156 CO 0.06 0.41 0.04 -1.58 -3.33 0.00 0.00 175.10 170.69 1poz s GLN 157 N 0.47 0.95 -0.23 1.54 0.74 -0.37 -4.95 119.66 117.82 1poz s GLN 157 Ca 0.12 -1.45 0.00 0.00 0.05 0.00 0.00 55.36 54.08 1poz s GLN 157 Cb -0.12 0.12 0.06 0.00 1.10 0.00 0.00 33.01 34.17 1poz s GLN 157 CO 0.01 -0.22 -0.05 0.15 -0.55 0.00 0.00 175.29 174.63 1poz s LYS 158 N -4.01 1.58 0.00 1.67 1.02 -1.26 0.15 119.74 118.89 1poz s LYS 158 Ca 0.23 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1poz s LYS 158 Cb 0.07 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1poz s LYS 158 CO 0.02 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 1poz n GLY 159 N 4.70 2.86 3.64 -3.33 0.00 0.18 -4.56 105.19 108.68 1poz n GLY 159 Ca -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1poz n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1poz s GLU 160 N 3.38 0.09 0.00 1.61 2.12 0.03 -1.82 118.70 124.11 1poz s GLU 160 Ca 0.00 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1poz s GLU 160 Cb 0.00 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1poz s GLU 160 CO 0.00 -0.02 0.00 2.48 -0.54 0.00 0.00 175.26 177.18 1poz n TYR 161 N 0.99 0.00 0.08 5.30 4.11 -1.26 -2.59 117.16 123.78 1poz n TYR 161 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.82 1poz n TYR 161 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.85 1poz n TYR 161 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1poz h ARG 162 N 0.00 0.00 -6.02 -3.48 2.43 -1.96 -3.46 114.38 101.89 1poz h ARG 162 Ca 0.00 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 1poz h ARG 162 Cb 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.38 1poz h ARG 162 CO 0.00 0.70 -0.59 0.25 -1.51 0.00 0.00 179.97 178.81 1poz n THR 163 N -3.23 -0.56 -3.47 0.20 -2.24 -1.26 -4.87 114.28 98.86 1poz n THR 163 Ca -0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 1poz n THR 163 Cb 0.87 -1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 67.88 1poz n THR 163 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1poz n ASN 164 N -2.25 2.59 0.22 3.42 3.02 -1.26 -4.90 115.26 116.11 1poz n ASN 164 Ca 0.04 -3.17 0.15 0.00 -0.03 0.00 0.00 54.58 51.57 1poz n ASN 164 Cb 0.50 -0.67 0.53 0.00 -0.61 0.00 0.00 39.78 39.53 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1poz h PRO 165 N 4.50 0.00 0.00 3.52 0.13 -2.00 -2.91 132.00 135.23 1poz h PRO 165 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1poz h PRO 165 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1poz h PRO 165 CO 0.70 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.96 1poz h GLU 166 N 0.00 0.00 0.00 0.86 4.22 -1.90 -1.77 114.58 115.99 1poz h GLU 166 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1poz h GLU 166 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1poz h GLU 166 CO 0.00 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.58 1poz n ASP 167 N -2.72 0.00 -0.07 1.04 8.00 -1.10 -2.95 116.55 118.75 1poz n ASP 167 Ca 0.00 0.40 -0.08 0.00 0.71 0.00 0.00 54.79 55.82 1poz n ASP 167 Cb 0.22 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.77 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1poz n ILE 168 N -1.46 0.86 -3.50 0.53 5.41 -0.69 -4.82 119.36 115.69 1poz n ILE 168 Ca 0.07 -0.44 -0.27 0.00 1.00 0.00 0.00 62.75 63.12 1poz n ILE 168 Cb 0.28 -0.84 -0.10 0.00 -0.71 0.00 0.00 39.64 38.27 1poz n ILE 168 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1poz n TYR 169 N -2.68 1.29 -1.62 1.39 4.01 -1.05 -5.06 117.16 113.45 1poz n TYR 169 Ca -0.23 -3.82 -0.54 0.00 -0.16 0.00 0.00 57.90 53.15 1poz n TYR 169 Cb 0.85 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 1poz n TYR 169 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1poz n PRO 170 N 1.90 1.31 -2.67 -0.72 -0.02 -1.15 -3.75 135.00 129.90 1poz n PRO 170 Ca 0.25 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 62.15 1poz n PRO 170 Cb 0.44 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 6.99 -3.54 -4.67 2.55 2.88 -1.26 -4.99 113.62 111.58 1poz n SER 171 Ca 0.31 1.37 -0.35 0.00 -1.33 0.00 0.00 58.87 58.86 1poz n SER 171 Cb 0.19 -5.18 -0.09 0.00 -0.75 0.00 0.00 64.21 58.37 1poz n SER 171 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1poz s ASN 172 N -1.04 5.92 0.19 -3.46 0.01 -1.25 -5.06 114.94 110.25 1poz s ASN 172 Ca -0.17 0.13 -0.33 0.00 -0.71 0.00 0.00 52.86 51.78 1poz s ASN 172 Cb 0.01 -2.04 -0.14 0.00 0.41 0.00 0.00 41.25 39.50 1poz s ASN 172 CO 0.77 0.15 1.50 -2.65 -1.51 0.00 0.00 177.10 175.35 1poz n PRO 173 N 3.73 2.05 -3.37 -0.60 -0.02 -1.26 -4.95 135.00 130.58 1poz n PRO 173 Ca -0.16 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.61 1poz n PRO 173 Cb 0.52 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 1poz n PRO 173 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1poz s THR 174 N 0.51 5.20 -1.81 3.45 2.01 -1.26 -4.40 115.64 119.34 1poz s THR 174 Ca 0.75 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1poz s THR 174 Cb -0.68 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 67.70 1poz s THR 174 CO 0.43 -0.58 0.00 -0.67 -0.69 0.00 0.00 174.62 173.10 1poz n ASP 175 N 5.29 -4.76 -4.77 3.53 2.03 -1.26 -4.92 116.55 111.69 1poz n ASP 175 Ca -0.12 0.37 -0.36 0.00 0.52 0.00 0.00 54.79 55.20 1poz n ASP 175 Cb 0.44 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.62 1poz n ASP 175 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1poz s ASP 176 N -2.41 5.84 0.92 1.67 2.15 -1.26 -4.81 116.67 118.76 1poz s ASP 176 Ca 0.00 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.29 1poz s ASP 176 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1poz s ASP 176 CO 0.00 -1.15 0.00 0.47 -0.17 0.00 0.00 175.17 174.32 1poz n ASP 177 N -0.93 -4.44 -0.34 -0.34 8.00 -1.26 -5.10 116.55 112.14 1poz n ASP 177 Ca 0.10 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.64 1poz n ASP 177 Cb 0.49 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33