#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 0.78 -0.14 0.00 -2.07 -1.26 -1.94 119.66 115.03 1poz s GLN 21 Ca 0.00 -0.26 -0.06 0.00 -1.82 0.00 0.00 55.36 53.21 1poz s GLN 21 Cb 0.00 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.34 1poz s GLN 21 CO 0.00 -0.34 0.32 0.42 -1.32 0.00 0.00 175.29 174.37 1poz s ILE 22 N -2.96 -0.19 -0.33 3.63 1.09 -1.14 -4.94 121.20 116.37 1poz s ILE 22 Ca 0.05 0.16 -0.25 0.00 -1.10 0.00 0.00 60.65 59.51 1poz s ILE 22 Cb -0.01 -0.50 0.01 0.00 -1.06 0.00 0.00 42.46 40.90 1poz s ILE 22 CO -0.08 0.07 0.86 -1.81 -0.10 0.00 0.00 174.94 173.88 1poz s ASP 23 N 1.71 6.70 -0.39 3.58 1.01 -1.26 -2.03 116.67 125.99 1poz s ASP 23 Ca -0.06 0.68 0.01 0.00 0.71 0.00 0.00 52.55 53.89 1poz s ASP 23 Cb -0.10 -2.44 0.12 0.00 1.01 0.00 0.00 42.92 41.51 1poz s ASP 23 CO -0.10 -0.72 0.19 -0.76 0.21 0.00 0.00 175.17 173.99 1poz s LEU 24 N 3.18 2.44 0.08 1.23 1.43 0.03 -2.47 118.68 124.61 1poz s LEU 24 Ca 0.36 -2.26 -0.28 0.00 -1.03 0.00 0.00 54.13 50.92 1poz s LEU 24 Cb -0.13 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 1poz s LEU 24 CO 0.14 -0.32 0.90 0.21 0.23 0.00 0.00 176.35 177.52 1poz s ASN 25 N 0.84 7.40 0.41 2.29 3.84 0.52 -2.50 114.94 127.74 1poz s ASN 25 Ca 0.15 1.68 0.01 0.00 0.21 0.00 0.00 52.86 54.90 1poz s ASN 25 Cb -0.22 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 37.94 1poz s ASN 25 CO -0.08 -0.05 0.05 2.30 -2.79 0.00 0.00 177.10 176.53 1poz n ILE 26 N 2.87 0.00 -0.08 -5.21 -5.35 0.36 0.92 119.36 112.87 1poz n ILE 26 Ca 0.01 -1.86 -0.09 0.00 -0.27 0.00 0.00 62.75 60.55 1poz n ILE 26 Cb 0.50 0.29 -0.11 0.00 -1.74 0.00 0.00 39.64 38.58 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 -1.08 1.01 0.00 7.28 -1.04 0.74 -0.59 114.28 120.59 1poz n THR 27 Ca -0.14 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1poz n THR 27 Cb 0.50 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 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 -1.45 2.73 -2.68 0.00 3.00 -0.87 -2.19 116.66 115.21 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 -2.41 -0.02 0.00 0.00 0.00 0.00 32.46 30.02 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 3.47 0.00 -1.55 0.40 -0.34 -2.10 117.98 116.36 1poz s PHE 30 Ca 0.29 1.56 0.00 0.00 -0.60 0.00 0.00 56.93 58.17 1poz s PHE 30 Cb -0.06 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.27 1poz s PHE 30 CO -0.11 -0.29 0.00 0.00 0.70 0.00 0.00 175.22 175.51 1poz n ALA 31 N 5.36 0.00 0.00 5.36 0.00 0.20 -1.53 120.51 129.90 1poz n ALA 31 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1poz n ALA 31 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.82 0.20 3.30 0.00 0.00 -0.44 -2.42 105.19 104.00 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 -1.02 3.43 -0.31 1.61 1.01 -0.58 -1.31 120.40 123.23 1poz s VAL 33 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1poz s VAL 33 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1poz s VAL 33 CO 0.00 0.27 0.11 0.12 0.00 0.00 0.00 175.10 175.60 1poz s PHE 34 N 1.45 3.18 -0.35 5.22 2.19 -0.75 -1.20 117.98 127.71 1poz s PHE 34 Ca 0.04 -0.97 -0.29 0.00 0.33 0.00 0.00 56.93 56.04 1poz s PHE 34 Cb -0.16 -2.29 0.02 0.00 -1.31 0.00 0.00 43.02 39.28 1poz s PHE 34 CO -0.02 -0.58 1.09 -1.58 1.83 0.00 0.00 175.22 175.96 1poz s HIS 35 N 1.51 3.07 0.18 10.12 5.65 -0.93 -3.07 115.29 131.82 1poz s HIS 35 Ca 0.02 1.09 -0.16 0.00 0.25 0.00 0.00 55.06 56.26 1poz s HIS 35 Cb -0.18 -3.86 -0.07 0.00 -1.18 0.00 0.00 32.58 27.29 1poz s HIS 35 CO 0.03 -0.89 0.61 0.08 -0.65 0.00 0.00 174.74 173.93 1poz s VAL 36 N 3.84 4.76 0.24 0.89 1.01 0.18 -0.19 120.40 131.13 1poz s VAL 36 Ca 0.46 0.98 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 1poz s VAL 36 Cb -0.11 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1poz s VAL 36 CO 0.19 0.22 0.65 -0.70 0.00 0.00 0.00 175.10 175.46 1poz s GLU 37 N -2.00 1.61 0.28 2.72 2.12 0.26 -2.30 118.70 121.40 1poz s GLU 37 Ca 0.40 -0.89 0.11 0.00 0.36 0.00 0.00 54.97 54.95 1poz s GLU 37 Cb -0.15 0.58 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 1poz s GLU 37 CO 0.20 -0.72 -0.10 0.21 -0.54 0.00 0.00 175.26 174.31 1poz s LYS 38 N -3.89 1.97 -0.86 4.30 2.20 -1.24 0.20 119.74 122.42 1poz s LYS 38 Ca 0.10 -1.63 -0.22 0.00 -0.36 0.00 0.00 55.97 53.85 1poz s LYS 38 Cb -0.04 -1.94 -0.19 0.00 -1.51 0.00 0.00 37.83 34.15 1poz s LYS 38 CO 0.02 0.32 2.14 0.09 -0.36 0.00 0.00 175.35 177.55 1poz n ASN 39 N -0.77 0.96 0.00 1.43 4.13 -1.03 0.27 115.26 120.25 1poz n ASN 39 Ca -0.05 -1.82 0.00 0.00 1.68 0.00 0.00 54.58 54.38 1poz n ASN 39 Cb 0.60 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.34 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1poz n GLY 40 N 6.20 1.40 3.52 7.41 0.00 -1.26 -5.07 105.19 117.40 1poz n GLY 40 Ca 0.42 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.33 -0.48 0.00 1.61 0.63 0.14 -4.81 116.66 112.42 1poz n ARG 41 Ca 0.00 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1poz n ARG 41 Cb 0.09 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 30.91 1poz n ARG 41 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1poz n TYR 42 N -3.96 0.00 -2.70 -0.14 4.02 -1.26 -4.87 117.16 108.25 1poz n TYR 42 Ca 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.95 1poz n TYR 42 Cb 0.53 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.97 1poz n TYR 42 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1poz n SER 43 N 0.00 -0.98 -4.91 7.72 3.41 -1.24 -3.19 113.62 114.42 1poz n SER 43 Ca 0.00 -2.23 -0.31 0.00 -0.26 0.00 0.00 58.87 56.07 1poz n SER 43 Cb 0.00 0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1poz s ILE 44 N -0.54 5.33 0.31 -1.33 1.01 -1.03 -4.52 121.20 120.44 1poz s ILE 44 Ca 0.14 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1poz s ILE 44 Cb 0.42 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 39.33 1poz s ILE 44 CO -0.11 0.14 0.43 -1.54 0.00 0.00 0.00 174.94 173.86 1poz n SER 45 N 0.32 0.78 0.20 3.58 3.41 -1.26 -3.12 113.62 117.53 1poz n SER 45 Ca -0.05 -1.61 0.08 0.00 -0.26 0.00 0.00 58.87 57.03 1poz n SER 45 Cb 0.51 -0.26 0.34 0.00 -0.26 0.00 0.00 64.21 64.54 1poz n SER 45 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1poz h ARG 46 N 0.00 0.00 0.08 4.33 3.08 -1.97 -2.97 114.38 116.93 1poz h ARG 46 Ca -0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1poz h ARG 46 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1poz h ARG 46 CO 0.17 0.27 -0.05 1.79 -1.07 0.00 0.00 179.97 181.08 1poz h THR 47 N 0.00 0.00 0.31 2.04 1.35 -1.94 0.21 112.91 114.88 1poz h THR 47 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1poz h THR 47 Cb 0.91 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1poz h THR 47 CO 0.04 0.00 -0.15 -0.33 -0.25 0.00 0.00 175.52 174.83 1poz h GLU 48 N -0.12 -0.40 0.00 4.72 4.39 -1.88 -0.39 114.58 120.91 1poz h GLU 48 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1poz h GLU 48 Cb 0.10 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1poz h GLU 48 CO 0.01 -0.25 0.00 0.00 -1.16 0.00 0.00 179.01 177.61 1poz n ALA 49 N -2.28 -0.27 0.24 3.43 0.00 -1.12 -1.21 120.51 119.30 1poz n ALA 49 Ca -0.10 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.51 1poz n ALA 49 Cb 0.19 0.23 0.77 0.00 0.00 0.00 0.00 19.45 20.64 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 -1.55 1.64 -1.10 0.00 0.00 -0.63 -0.93 119.26 116.70 1poz h ALA 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1poz h ALA 50 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1poz h ALA 50 CO 0.00 -0.47 0.00 -0.25 0.00 0.00 0.00 179.25 178.53 1poz n ASP 51 N -3.18 0.00 0.04 0.00 9.92 -0.16 -2.02 116.55 121.15 1poz n ASP 51 Ca 0.02 0.81 -0.13 0.00 -0.53 0.00 0.00 54.79 54.96 1poz n ASP 51 Cb 0.49 -0.32 -0.09 0.00 -0.64 0.00 0.00 41.12 40.56 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 -0.08 -0.91 0.64 -0.00 -1.29 -0.06 115.31 113.61 1poz h LEU 52 Ca 0.00 -0.32 0.17 0.00 -0.00 0.00 0.00 57.88 57.74 1poz h LEU 52 Cb 0.00 0.02 -0.17 0.00 -0.00 0.00 0.00 40.66 40.51 1poz h LEU 52 CO 0.00 0.28 -0.25 0.00 -0.00 0.00 0.00 178.44 178.47 1poz h LYS 54 N 0.00 0.00 -0.96 0.00 2.10 -1.37 -3.27 116.57 113.06 1poz h LYS 54 Ca 0.41 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 59.27 1poz h LYS 54 Cb 0.64 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.89 1poz h LYS 54 CO -0.93 0.27 0.61 0.00 -2.00 0.00 0.00 179.45 177.41 1poz h ALA 55 N 1.73 2.02 -0.63 0.07 0.00 0.64 0.23 119.26 123.31 1poz h ALA 55 Ca -0.00 0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.47 1poz h ALA 55 Cb 1.19 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 1poz h ALA 55 CO 0.04 -0.35 0.55 1.97 0.00 0.00 0.00 179.25 181.46 1poz n PHE 56 N -4.61 1.98 -3.42 0.00 -1.74 -0.94 0.17 117.46 108.91 1poz n PHE 56 Ca 0.21 -2.18 -0.14 0.00 -0.56 0.00 0.00 57.45 54.78 1poz n PHE 56 Cb 0.67 -1.20 0.01 0.00 1.52 0.00 0.00 39.48 40.48 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 0.21 -6.35 -4.25 5.98 3.02 0.05 -4.53 115.26 109.39 1poz n ASN 57 Ca 0.44 -0.56 -0.20 0.00 -0.03 0.00 0.00 54.58 54.23 1poz n ASN 57 Cb 0.56 -3.75 -0.10 0.00 -0.61 0.00 0.00 39.78 35.88 1poz n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1poz s SER 58 N -3.09 1.96 0.15 6.41 1.04 -1.11 -2.38 113.70 116.68 1poz s SER 58 Ca 0.10 -1.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.04 1poz s SER 58 Cb -0.03 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1poz s SER 58 CO 0.82 -0.77 0.05 0.42 0.98 0.00 0.00 173.24 174.74 1poz s THR 59 N -3.47 0.26 0.19 2.02 -4.23 -0.63 -4.62 115.64 105.15 1poz s THR 59 Ca 0.34 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 1poz s THR 59 Cb 0.06 -2.11 -0.16 0.00 1.34 0.00 0.00 72.50 71.63 1poz s THR 59 CO 0.15 -0.43 0.82 0.18 -0.54 0.00 0.00 174.62 174.80 1poz n LEU 60 N -0.15 0.10 -4.61 4.79 4.77 -1.26 -2.57 117.00 118.06 1poz n LEU 60 Ca -0.05 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.65 1poz n LEU 60 Cb 0.64 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1poz n LEU 60 CO 0.32 -2.19 1.38 -2.16 -1.33 0.00 0.00 177.39 173.41 1poz s PRO 61 N -0.88 3.60 0.64 3.23 0.04 -1.24 -4.60 135.00 135.80 1poz s PRO 61 Ca 0.68 1.40 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1poz s PRO 61 Cb -0.91 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 29.65 1poz s PRO 61 CO 0.56 -1.53 0.89 0.95 0.04 0.00 0.00 177.00 177.91 1poz s THR 62 N 5.77 2.28 -0.03 1.26 -4.23 -1.26 -0.99 115.64 118.44 1poz s THR 62 Ca 0.71 -0.71 0.28 0.00 -1.18 0.00 0.00 61.69 60.79 1poz s THR 62 Cb -0.21 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.37 1poz s THR 62 CO 0.31 0.00 1.82 -0.03 -0.54 0.00 0.00 174.62 176.19 1poz h MET 63 N -0.22 0.00 0.11 3.99 4.05 -1.99 -2.52 114.93 118.35 1poz h MET 63 Ca -0.36 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 58.85 1poz h MET 63 Cb 1.28 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.08 1poz h MET 63 CO 0.43 0.09 -1.02 0.00 0.23 0.00 0.00 176.91 176.64 1poz h ALA 64 N 1.91 0.04 -0.49 0.39 0.00 -1.98 -2.53 119.26 116.60 1poz h ALA 64 Ca -0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 1poz h ALA 64 Cb 0.74 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1poz h ALA 64 CO 0.01 0.55 -0.04 1.96 0.00 0.00 0.00 179.25 181.73 1poz h GLN 65 N -0.43 0.85 0.17 0.00 4.20 -1.95 -0.32 115.11 117.64 1poz h GLN 65 Ca -0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 1poz h GLN 65 Cb 1.62 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.32 1poz h GLN 65 CO 0.08 0.88 -0.08 0.52 -0.67 0.00 0.00 178.83 179.56 1poz h MET 66 N 0.78 -0.22 -0.63 1.46 2.86 -1.59 -2.70 114.93 114.90 1poz h MET 66 Ca 0.14 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 1poz h MET 66 Cb 0.52 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1poz h MET 66 CO 0.03 0.20 0.37 0.93 1.06 0.00 0.00 176.91 179.49 1poz h GLU 67 N -0.87 0.68 -0.01 1.72 5.08 -1.48 0.34 114.58 120.04 1poz h GLU 67 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1poz h GLU 67 Cb 0.52 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1poz h GLU 67 CO 0.04 0.45 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.10 1poz h LYS 68 N 0.70 -0.28 0.00 2.33 3.11 -1.14 0.23 116.57 121.52 1poz h LYS 68 Ca 0.27 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.13 1poz h LYS 68 Cb 0.11 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1poz h LYS 68 CO -0.15 -0.19 -0.00 0.00 -2.81 0.00 0.00 179.45 176.30 1poz h ALA 69 N 0.63 1.01 -0.01 5.00 0.00 -1.08 -1.69 119.26 123.12 1poz h ALA 69 Ca 0.06 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1poz h ALA 69 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1poz h ALA 69 CO -0.17 0.01 -0.83 -0.07 0.00 0.00 0.00 179.25 178.18 1poz h LEU 70 N 0.00 0.27 0.00 0.00 4.07 0.28 -1.39 115.31 118.54 1poz h LEU 70 Ca -0.00 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1poz h LEU 70 Cb 0.26 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1poz h LEU 70 CO 0.00 0.98 -0.44 -1.54 -1.08 0.00 0.00 178.44 176.36 1poz n SER 71 N -3.70 0.50 -0.28 -0.43 3.41 -0.08 -3.54 113.62 109.49 1poz n SER 71 Ca -0.03 0.01 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 1poz n SER 71 Cb 0.78 0.07 0.56 0.00 -0.26 0.00 0.00 64.21 65.36 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 -1.72 0.00 -0.79 -1.33 -6.64 -0.86 -4.90 119.36 103.12 1poz n ILE 72 Ca 0.05 -0.15 0.00 0.00 -1.77 0.00 0.00 62.75 60.88 1poz n ILE 72 Cb 0.37 0.22 0.00 0.00 -1.44 0.00 0.00 39.64 38.79 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 1.21 1.25 3.45 3.28 0.00 -1.23 -4.99 105.19 108.16 1poz n GLY 73 Ca 0.17 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.14 2.83 -0.14 1.61 2.19 -0.53 -5.05 117.98 116.74 1poz s PHE 74 Ca 0.00 -0.36 -0.30 0.00 0.33 0.00 0.00 56.93 56.60 1poz s PHE 74 Cb 0.00 -1.78 0.12 0.00 -1.31 0.00 0.00 43.02 40.05 1poz s PHE 74 CO 0.00 0.01 0.95 -1.83 1.83 0.00 0.00 175.22 176.18 1poz s GLU 75 N -0.14 0.67 -0.03 10.12 4.04 -1.26 -4.35 118.70 127.75 1poz s GLU 75 Ca -0.00 0.16 0.06 0.00 0.04 0.00 0.00 54.97 55.24 1poz s GLU 75 Cb -0.13 0.31 -0.01 0.00 0.02 0.00 0.00 34.13 34.32 1poz s GLU 75 CO 0.03 -0.21 -0.21 0.95 -1.84 0.00 0.00 175.26 173.98 1poz s THR 76 N -1.11 1.71 0.00 1.83 -4.23 -1.26 -5.02 115.64 107.56 1poz s THR 76 Ca -0.03 -0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1poz s THR 76 Cb -0.00 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 1poz s THR 76 CO 0.03 0.48 2.00 0.00 -0.54 0.00 0.00 174.62 176.59 1poz s ARG 78 N 0.21 0.94 1.10 0.00 0.52 -1.26 -4.97 118.95 115.48 1poz s ARG 78 Ca 0.05 0.26 -0.16 0.00 -0.52 0.00 0.00 55.73 55.36 1poz s ARG 78 Cb 0.02 0.44 0.15 0.00 0.52 0.00 0.00 34.95 36.08 1poz s ARG 78 CO 0.00 -0.29 0.40 0.66 0.02 0.00 0.00 175.30 176.09 1poz n TYR 79 N 0.93 -1.26 -3.64 -0.53 4.01 -1.26 -4.78 117.16 110.64 1poz n TYR 79 Ca -0.17 0.09 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 1poz n TYR 79 Cb 0.57 -1.66 -0.07 0.00 -0.31 0.00 0.00 39.34 37.87 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 -2.06 -0.25 0.34 2.72 0.00 0.02 -4.35 107.32 103.74 1poz s GLY 80 Ca 0.60 2.57 -0.29 0.00 0.00 0.00 0.00 44.72 47.60 1poz s GLY 80 CO 0.66 1.93 1.55 -0.12 0.00 0.00 0.00 173.10 177.11 1poz s PHE 81 N 0.46 2.63 0.00 1.90 2.19 -0.88 -2.30 117.98 121.98 1poz s PHE 81 Ca 0.00 0.98 0.00 0.00 0.33 0.00 0.00 56.93 58.24 1poz s PHE 81 Cb -0.05 -4.07 0.00 0.00 -1.31 0.00 0.00 43.02 37.59 1poz s PHE 81 CO -0.06 -3.34 0.00 1.51 1.83 0.00 0.00 175.22 175.15 1poz n ILE 82 N 1.21 0.00 0.00 3.12 0.13 0.06 -2.45 119.36 121.43 1poz n ILE 82 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.69 1poz n ILE 82 Cb 0.38 -0.06 0.00 0.00 -0.84 0.00 0.00 39.64 39.12 1poz n ILE 82 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1poz n GLU 83 N 0.00 0.00 0.00 9.51 1.02 -0.16 -4.10 120.64 126.91 1poz n GLU 83 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1poz n GLU 83 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1poz n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1poz n GLY 84 N -1.01 0.00 3.52 0.62 0.00 -1.26 -4.98 105.19 102.09 1poz n GLY 84 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 -0.80 1.61 3.76 -1.26 -5.11 115.29 113.21 1poz s HIS 85 Ca 0.00 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.62 1poz s HIS 85 Cb 0.00 0.49 0.03 0.00 1.11 0.00 0.00 32.58 34.21 1poz s HIS 85 CO 0.00 -0.93 1.32 0.08 -0.85 0.00 0.00 174.74 174.36 1poz s VAL 86 N -3.83 3.77 0.38 -0.90 1.01 -1.26 -0.76 120.40 118.80 1poz s VAL 86 Ca 0.06 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1poz s VAL 86 Cb -0.02 -4.95 -0.06 0.00 0.00 0.00 0.00 36.38 31.35 1poz s VAL 86 CO -0.06 -1.88 0.04 0.68 0.00 0.00 0.00 175.10 173.89 1poz s VAL 87 N 5.57 1.49 -0.00 2.92 -7.23 -0.97 -2.17 120.40 120.00 1poz s VAL 87 Ca 0.37 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1poz s VAL 87 Cb -0.06 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 1poz s VAL 87 CO 0.09 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.15 1poz s ILE 88 N -3.02 0.79 0.00 -0.62 1.01 0.19 -0.80 121.20 118.75 1poz s ILE 88 Ca 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1poz s ILE 88 Cb 0.08 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1poz s ILE 88 CO 0.16 0.18 0.00 -0.81 0.00 0.00 0.00 174.94 174.46 1poz n PRO 89 N 2.70 1.25 -1.58 2.79 -0.04 -1.26 -1.78 135.00 137.08 1poz n PRO 89 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1poz n PRO 89 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1poz n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1poz n ARG 90 N 0.00 -2.78 0.00 0.54 1.74 -1.26 -3.88 116.66 111.03 1poz n ARG 90 Ca 0.00 2.24 0.00 0.00 -0.77 0.00 0.00 57.85 59.32 1poz n ARG 90 Cb 0.00 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 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 0.97 0.00 -2.69 0.55 5.41 -1.26 0.77 119.36 123.10 1poz n ILE 91 Ca 0.00 1.37 -0.06 0.00 1.00 0.00 0.00 62.75 65.05 1poz n ILE 91 Cb 0.00 -2.32 0.08 0.00 -0.71 0.00 0.00 39.64 36.69 1poz n ILE 91 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1poz n HIS 92 N -1.68 -1.83 0.00 1.39 -0.00 -1.26 -0.71 115.22 111.14 1poz n HIS 92 Ca 0.00 -1.54 0.00 0.00 0.46 0.00 0.00 57.72 56.64 1poz n HIS 92 Cb 0.00 1.46 0.00 0.00 -0.12 0.00 0.00 29.99 31.33 1poz n HIS 92 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1poz n PRO 93 N -0.16 0.00 0.00 1.57 -0.04 -1.26 -4.93 135.00 130.17 1poz n PRO 93 Ca -0.06 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1poz n PRO 93 Cb 0.75 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 1poz n PRO 93 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1poz n ASN 94 N -0.52 0.00 -2.55 3.54 5.15 -1.26 -5.12 115.26 114.50 1poz n ASN 94 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1poz n ASN 94 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1poz n ASN 94 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1poz n SER 95 N 0.00 -0.41 0.00 1.20 2.88 -1.26 -4.92 113.62 111.11 1poz n SER 95 Ca 0.00 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1poz n SER 95 Cb 0.00 -5.13 0.00 0.00 -0.75 0.00 0.00 64.21 58.33 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1poz n ILE 96 N 1.63 0.00 -0.10 2.46 -0.00 -1.26 -4.72 119.36 117.37 1poz n ILE 96 Ca -0.41 -0.07 -0.20 0.00 -0.00 0.00 0.00 62.75 62.06 1poz n ILE 96 Cb 0.64 0.50 -0.08 0.00 -0.00 0.00 0.00 39.64 40.70 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1poz n ALA 98 N -3.69 0.00 -1.98 0.00 0.00 -1.26 -5.00 120.51 108.58 1poz n ALA 98 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1poz n ALA 98 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.97 0.00 0.00 0.00 0.00 -1.26 -5.08 120.51 112.20 1poz n ALA 99 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1poz n ALA 99 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 1.01 -2.34 0.00 4.13 -1.26 -4.59 115.26 112.20 1poz n ASN 100 Ca 0.00 0.15 -0.03 0.00 1.68 0.00 0.00 54.58 56.38 1poz n ASN 100 Cb 0.00 -0.35 0.02 0.00 -1.54 0.00 0.00 39.78 37.92 1poz n ASN 100 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1poz n ASN 101 N -3.57 -0.41 -2.42 6.41 3.02 -1.26 -4.55 115.26 112.49 1poz n ASN 101 Ca -0.06 -0.87 -0.09 0.00 -0.03 0.00 0.00 54.58 53.53 1poz n ASN 101 Cb 0.27 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1poz n ASN 101 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1poz n THR 102 N -2.39 0.00 -1.66 3.41 -2.24 -1.26 -4.66 114.28 105.48 1poz n THR 102 Ca 0.02 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1poz n THR 102 Cb 0.06 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.42 -4.63 4.12 3.38 0.00 0.23 -4.46 105.19 103.41 1poz n GLY 103 Ca -0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 1.10 -0.72 -2.21 1.61 3.14 -0.73 -4.79 118.33 115.72 1poz n VAL 104 Ca 0.00 -0.36 -0.43 0.00 -2.96 0.00 0.00 64.34 60.60 1poz n VAL 104 Cb 0.00 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 31.96 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 -4.00 2.42 0.39 1.45 6.14 -0.97 -4.48 117.35 118.30 1poz s TYR 105 Ca 0.14 0.59 -0.10 0.00 0.64 0.00 0.00 57.07 58.34 1poz s TYR 105 Cb -0.08 -3.72 -0.06 0.00 0.42 0.00 0.00 41.96 38.52 1poz s TYR 105 CO 0.89 -2.81 0.74 0.42 0.64 0.00 0.00 175.55 175.43 1poz s ILE 106 N 3.70 4.82 1.04 3.14 -1.09 -1.23 0.57 121.20 132.16 1poz s ILE 106 Ca 0.64 0.53 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 1poz s ILE 106 Cb -0.28 -3.73 0.21 0.00 -1.58 0.00 0.00 42.46 37.08 1poz s ILE 106 CO 0.23 -0.50 1.10 -0.22 -1.23 0.00 0.00 174.94 174.31 1poz s LEU 107 N -3.82 1.39 0.00 2.97 2.96 -0.92 -4.95 118.68 116.31 1poz s LEU 107 Ca 0.50 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.49 1poz s LEU 107 Cb -0.10 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.42 1poz s LEU 107 CO 0.31 -3.34 0.00 0.35 -1.32 0.00 0.00 176.35 172.35 1poz n THR 108 N -4.30 0.00 -2.29 3.68 -2.24 -1.26 -4.92 114.28 102.95 1poz n THR 108 Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 1poz n THR 108 Cb 0.58 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1poz n THR 108 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1poz s SER 109 N -1.00 6.87 -0.60 3.42 0.01 -1.26 -4.98 113.70 116.16 1poz s SER 109 Ca 0.00 2.45 -0.21 0.00 1.31 0.00 0.00 55.95 59.50 1poz s SER 109 Cb 0.00 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.68 1poz s SER 109 CO 0.00 -0.44 0.82 0.21 0.41 0.00 0.00 173.24 174.24 1poz s ASN 110 N -0.81 6.20 0.00 2.44 2.47 -1.26 -4.69 114.94 119.29 1poz s ASN 110 Ca 0.50 -1.08 0.00 0.00 0.42 0.00 0.00 52.86 52.70 1poz s ASN 110 Cb -0.34 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1poz s ASN 110 CO 0.45 -1.23 0.00 0.41 -3.72 0.00 0.00 177.10 173.01 1poz n THR 111 N 5.77 0.00 -2.37 -5.21 -1.04 -1.26 -5.12 114.28 105.05 1poz n THR 111 Ca -0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.56 1poz n THR 111 Cb 0.45 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.92 1poz n THR 111 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1poz s SER 112 N 1.02 7.00 0.00 8.00 1.04 -1.26 -5.05 113.70 124.45 1poz s SER 112 Ca 0.00 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1poz s SER 112 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1poz s SER 112 CO 0.00 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.88 1poz n GLN 113 N 0.82 3.76 -3.07 4.02 6.02 -1.19 -4.86 117.38 122.87 1poz n GLN 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1poz n GLN 113 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1poz n TYR 114 N 0.00 0.00 -0.24 1.08 4.11 -1.18 -3.71 117.16 117.22 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 -3.61 9.48 8.00 -1.26 -2.46 116.55 126.70 1poz n ASP 115 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 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 0.28 -0.39 0.00 0.00 177.20 177.09 1poz s THR 116 N 0.25 0.00 0.15 -3.53 -1.32 -0.97 -2.08 115.64 108.13 1poz s THR 116 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1poz s THR 116 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1poz s THR 116 CO 0.00 0.00 0.27 -0.31 -2.21 0.00 0.00 174.62 172.37 1poz s TYR 117 N 0.14 3.46 -0.28 9.09 1.51 -1.03 -0.65 117.35 129.59 1poz s TYR 117 Ca -0.02 0.11 -0.15 0.00 -1.01 0.00 0.00 57.07 56.00 1poz s TYR 117 Cb -0.04 -1.66 0.09 0.00 -0.11 0.00 0.00 41.96 40.24 1poz s TYR 117 CO 0.02 0.52 0.68 0.00 -1.11 0.00 0.00 175.55 175.66 1poz s PHE 119 N 1.80 2.96 -0.18 0.00 2.19 -1.06 -1.81 117.98 121.89 1poz s PHE 119 Ca -0.09 0.44 -0.05 0.00 0.33 0.00 0.00 56.93 57.55 1poz s PHE 119 Cb -0.06 -3.86 -0.03 0.00 -1.31 0.00 0.00 43.02 37.76 1poz s PHE 119 CO -0.20 -1.03 -0.00 1.21 1.83 0.00 0.00 175.22 177.04 1poz s ASN 120 N 2.17 4.98 0.29 6.13 2.47 -0.43 -1.61 114.94 128.94 1poz s ASN 120 Ca 0.36 -0.11 -0.03 0.00 0.42 0.00 0.00 52.86 53.50 1poz s ASN 120 Cb -0.11 -1.84 0.41 0.00 -1.45 0.00 0.00 41.25 38.26 1poz s ASN 120 CO 0.24 0.13 1.96 0.00 -3.72 0.00 0.00 177.10 175.71 1poz h ALA 121 N 6.99 1.39 0.00 1.71 0.00 -1.73 -0.00 119.26 127.62 1poz h ALA 121 Ca -0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1poz h ALA 121 Cb 1.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1poz h ALA 121 CO 0.64 0.56 0.22 1.03 0.00 0.00 0.00 179.25 181.70 1poz h SER 122 N 1.17 0.00 -3.37 0.00 0.87 -1.80 -3.40 113.55 107.02 1poz h SER 122 Ca 0.33 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.33 1poz h SER 122 Cb -0.11 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 1poz h SER 122 CO -0.08 0.00 0.09 0.00 -0.53 0.00 0.00 176.83 176.31 1poz s ALA 123 N -3.85 3.39 0.26 6.23 0.00 -0.02 -5.02 121.76 122.75 1poz s ALA 123 Ca -0.03 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1poz s ALA 123 Cb 0.08 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.15 1poz s ALA 123 CO 0.25 0.03 1.31 -2.30 0.00 0.00 0.00 175.76 175.05 1poz n PRO 124 N 3.14 1.88 -1.58 0.00 -0.02 -1.26 -4.46 135.00 132.69 1poz n PRO 124 Ca -0.03 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1poz n PRO 124 Cb 0.51 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.52 2.68 0.00 0.52 -0.04 -1.24 -1.33 135.00 137.11 1poz n PRO 125 Ca 0.10 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1poz n PRO 125 Cb 0.32 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1poz n GLU 126 N 6.01 0.00 0.00 0.54 2.13 -1.02 -4.85 120.64 123.45 1poz n GLU 126 Ca 0.54 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1poz n GLU 126 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.08 1poz n GLU 126 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1poz n GLU 127 N -1.96 0.00 -3.61 5.31 -0.00 -1.25 0.61 120.64 119.74 1poz n GLU 127 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.00 1poz n GLU 127 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.37 1poz n GLU 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1poz s ASP 128 N 0.00 -0.51 -0.06 -1.84 1.01 -0.89 -4.79 116.67 109.59 1poz s ASP 128 Ca 0.00 0.57 0.09 0.00 0.71 0.00 0.00 52.55 53.92 1poz s ASP 128 Cb 0.00 0.53 0.14 0.00 1.01 0.00 0.00 42.92 44.59 1poz s ASP 128 CO 0.00 -0.52 1.04 0.00 0.21 0.00 0.00 175.17 175.90 1poz n THR 130 N -0.88 0.49 -1.53 0.00 -1.04 -1.26 -4.53 114.28 105.53 1poz n THR 130 Ca 0.07 -0.46 -0.27 0.00 -2.04 0.00 0.00 64.05 61.35 1poz n THR 130 Cb 0.47 -0.22 -0.13 0.00 -1.82 0.00 0.00 70.33 68.64 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 1.94 0.50 -0.65 8.00 3.41 -1.26 -4.72 113.62 120.85 1poz n SER 131 Ca 0.06 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1poz n SER 131 Cb 0.51 -1.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 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 7.30 0.30 0.20 -3.33 3.14 -1.26 -4.28 118.33 120.40 1poz n VAL 132 Ca 0.56 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.89 1poz n VAL 132 Cb 0.27 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 0.11 0.00 0.00 1.55 5.66 -1.26 -4.35 114.28 115.99 1poz n THR 133 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1poz n THR 133 Cb 0.34 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 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 0.37 0.00 -0.69 1.09 9.92 -1.26 -4.52 116.55 121.46 1poz n ASP 134 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1poz n ASP 134 Cb 0.05 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.00 -0.96 -0.39 0.64 4.32 -1.25 -4.86 117.00 114.50 1poz n LEU 135 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1poz n LEU 135 Cb 0.00 -1.32 0.00 0.00 -1.62 0.00 0.00 43.42 40.48 1poz n LEU 135 CO 0.00 -0.21 0.03 -2.65 -1.22 0.00 0.00 177.39 173.35 1poz n PRO 136 N -2.18 0.11 -0.00 3.23 -0.02 -0.42 -1.82 135.00 133.90 1poz n PRO 136 Ca -0.08 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.45 1poz n PRO 136 Cb 0.42 -1.04 -0.07 0.00 -0.02 0.00 0.00 33.50 32.78 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1poz n ASN 137 N 0.24 2.84 -3.27 2.55 3.02 0.45 -4.98 115.26 116.12 1poz n ASN 137 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1poz n ASN 137 Cb 0.02 1.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 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 -1.79 0.00 -1.95 5.41 0.00 -0.75 -4.81 120.51 116.61 1poz n ALA 138 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 1poz n ALA 138 Cb 0.23 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.79 1poz n ALA 138 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1poz s PHE 139 N -0.69 2.11 -0.19 0.00 0.40 -1.26 -4.94 117.98 113.40 1poz s PHE 139 Ca 0.00 0.14 -0.23 0.00 -0.60 0.00 0.00 56.93 56.25 1poz s PHE 139 Cb 0.00 -3.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 1poz s PHE 139 CO 0.00 -1.82 0.71 0.34 0.70 0.00 0.00 175.22 175.15 1poz s ASP 140 N -4.69 6.78 0.00 1.36 -1.08 -1.26 -3.42 116.67 114.36 1poz s ASP 140 Ca 0.66 0.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.65 1poz s ASP 140 Cb -0.07 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1poz s ASP 140 CO 0.47 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 176.43 1poz n GLY 141 N 3.69 1.39 0.80 2.66 0.00 -1.11 -4.81 105.19 107.81 1poz n GLY 141 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.09 0.52 -2.15 1.61 -0.02 -1.25 -1.74 135.00 131.88 1poz n PRO 142 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1poz n PRO 142 Cb 0.00 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.12 3.68 -0.92 4.25 1.01 -0.88 -4.80 121.20 123.43 1poz s ILE 143 Ca 0.00 0.71 -0.24 0.00 0.00 0.00 0.00 60.65 61.12 1poz s ILE 143 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1poz s ILE 143 CO 0.00 -0.51 1.58 -0.89 0.00 0.00 0.00 174.94 175.12 1poz s THR 144 N 5.98 3.73 -0.14 2.92 2.01 -0.82 -0.52 115.64 128.80 1poz s THR 144 Ca 0.71 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 1poz s THR 144 Cb -0.20 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 67.58 1poz s THR 144 CO 0.32 -1.60 0.44 -0.63 -0.69 0.00 0.00 174.62 172.46 1poz s ILE 145 N 6.69 5.20 -0.14 1.82 1.01 0.24 -2.87 121.20 133.15 1poz s ILE 145 Ca 0.52 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.97 1poz s ILE 145 Cb -0.04 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1poz s ILE 145 CO -0.02 0.32 0.05 -0.89 0.00 0.00 0.00 174.94 174.40 1poz s THR 146 N 0.76 4.68 -0.49 2.92 2.01 -0.86 0.64 115.64 125.30 1poz s THR 146 Ca 0.23 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 1poz s THR 146 Cb -0.15 -3.06 0.13 0.00 0.01 0.00 0.00 72.50 69.43 1poz s THR 146 CO 0.09 0.53 0.33 0.27 -0.69 0.00 0.00 174.62 175.15 1poz s ILE 147 N -0.19 3.87 -0.52 1.82 -0.00 -0.84 -0.79 121.20 124.55 1poz s ILE 147 Ca 0.07 -2.10 -0.29 0.00 -0.00 0.00 0.00 60.65 58.33 1poz s ILE 147 Cb -0.12 -3.57 0.03 0.00 -0.00 0.00 0.00 42.46 38.80 1poz s ILE 147 CO 0.01 -0.78 1.17 -0.69 -0.00 0.00 0.00 174.94 174.65 1poz s VAL 148 N 1.00 4.13 0.15 8.37 1.01 -1.04 -2.24 120.40 131.78 1poz s VAL 148 Ca 0.09 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1poz s VAL 148 Cb -0.23 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.43 1poz s VAL 148 CO -0.03 -1.13 0.96 0.20 0.00 0.00 0.00 175.10 175.10 1poz s ASN 149 N 2.68 7.55 0.00 3.32 0.02 0.75 0.14 114.94 129.39 1poz s ASN 149 Ca 0.46 1.85 0.00 0.00 -1.02 0.00 0.00 52.86 54.15 1poz s ASN 149 Cb -0.07 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.60 1poz s ASN 149 CO 0.30 0.01 0.78 0.54 0.02 0.00 0.00 177.10 178.74 1poz n ARG 150 N 2.37 0.00 -0.10 -0.60 5.12 0.24 0.57 116.66 124.26 1poz n ARG 150 Ca 0.01 0.30 0.09 0.00 -1.93 0.00 0.00 57.85 56.32 1poz n ARG 150 Cb 0.48 -1.60 0.32 0.00 -1.16 0.00 0.00 32.46 30.50 1poz n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1poz n ASP 151 N -1.28 1.69 -0.65 0.55 -0.08 -1.26 -4.90 116.55 110.62 1poz n ASP 151 Ca 0.00 -1.78 0.00 0.00 -1.51 0.00 0.00 54.79 51.50 1poz n ASP 151 Cb 0.10 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.43 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 1.10 0.80 2.86 0.27 0.00 0.19 -5.07 105.19 105.34 1poz n GLY 152 Ca 0.15 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1poz n GLY 152 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1poz s THR 153 N -2.98 -0.45 -0.06 2.61 -1.32 -1.07 -4.97 115.64 107.41 1poz s THR 153 Ca 0.00 -0.04 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1poz s THR 153 Cb 0.00 -0.70 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 1poz s THR 153 CO 0.00 -0.12 0.01 0.00 -2.21 0.00 0.00 174.62 172.29 1poz s ARG 154 N 2.43 2.94 0.40 7.08 1.70 -1.26 -0.18 118.95 132.06 1poz s ARG 154 Ca 0.08 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1poz s ARG 154 Cb -0.15 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.46 1poz s ARG 154 CO -0.13 0.68 0.01 0.66 -1.08 0.00 0.00 175.30 175.44 1poz n TYR 155 N 1.88 0.88 -4.57 5.89 4.01 -0.95 -4.89 117.16 119.41 1poz n TYR 155 Ca -0.17 -1.96 -0.21 0.00 -0.16 0.00 0.00 57.90 55.40 1poz n TYR 155 Cb 0.53 -0.27 -0.15 0.00 -0.31 0.00 0.00 39.34 39.15 1poz n TYR 155 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1poz s VAL 156 N -2.43 1.04 0.15 -0.72 1.01 -1.26 -1.99 120.40 116.20 1poz s VAL 156 Ca 0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1poz s VAL 156 Cb -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1poz s VAL 156 CO 0.00 0.26 0.13 -1.58 0.00 0.00 0.00 175.10 173.91 1poz s GLN 157 N -0.41 1.03 -0.26 2.72 2.00 0.21 -4.92 119.66 120.02 1poz s GLN 157 Ca 0.05 -1.39 0.02 0.00 -2.00 0.00 0.00 55.36 52.04 1poz s GLN 157 Cb -0.05 0.28 0.07 0.00 0.80 0.00 0.00 33.01 34.10 1poz s GLN 157 CO -0.00 -0.32 -0.08 0.15 -0.50 0.00 0.00 175.29 174.54 1poz s LYS 158 N -4.04 1.98 0.00 1.67 1.02 -1.24 0.80 119.74 119.93 1poz s LYS 158 Ca 0.24 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1poz s LYS 158 Cb 0.06 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1poz s LYS 158 CO 0.03 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1poz n GLY 159 N 4.48 4.44 2.03 -3.33 0.00 0.32 -4.69 105.19 108.43 1poz n GLY 159 Ca -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1poz n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1poz n GLU 160 N 0.00 0.00 -1.65 1.61 -0.58 -1.22 -2.06 120.64 116.73 1poz n GLU 160 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1poz n GLU 160 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1poz n GLU 160 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1poz n TYR 161 N -2.93 -0.92 -2.57 -0.32 4.02 -1.26 -4.81 117.16 108.37 1poz n TYR 161 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1poz n TYR 161 Cb 0.00 -2.10 -0.01 0.00 -0.02 0.00 0.00 39.34 37.21 1poz n TYR 161 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1poz s ARG 162 N -3.49 3.83 0.00 -0.72 3.52 -1.26 -4.41 118.95 116.41 1poz s ARG 162 Ca 0.00 -1.64 0.00 0.00 -0.13 0.00 0.00 55.73 53.96 1poz s ARG 162 Cb 0.00 -5.47 0.00 0.00 -1.56 0.00 0.00 34.95 27.92 1poz s ARG 162 CO 0.00 -2.24 0.00 0.25 -0.81 0.00 0.00 175.30 172.50 1poz n THR 163 N 6.60 0.00 -3.19 4.11 -2.24 -1.26 -4.91 114.28 113.39 1poz n THR 163 Ca 0.43 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.99 1poz n THR 163 Cb 0.48 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1poz n ASN 164 N -1.54 1.21 0.19 3.42 4.05 -1.26 -4.81 115.26 116.52 1poz n ASN 164 Ca 0.00 -3.00 0.08 0.00 0.45 0.00 0.00 54.58 52.11 1poz n ASN 164 Cb 0.31 -0.63 0.15 0.00 1.23 0.00 0.00 39.78 40.85 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1poz h PRO 165 N 3.48 0.00 0.00 1.20 0.13 -1.91 -3.19 132.00 131.71 1poz h PRO 165 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1poz h PRO 165 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1poz h PRO 165 CO 0.55 0.24 0.00 -1.91 -0.23 0.00 0.00 178.00 176.65 1poz n GLU 166 N -3.18 0.15 0.02 0.86 2.13 -1.26 -1.19 120.64 118.18 1poz n GLU 166 Ca 0.03 0.51 0.13 0.00 0.66 0.00 0.00 57.16 58.49 1poz n GLU 166 Cb 0.60 -1.87 0.35 0.00 0.27 0.00 0.00 31.44 30.79 1poz n GLU 166 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1poz n ASP 167 N -2.17 0.43 -0.03 4.31 9.92 -1.21 -3.69 116.55 124.11 1poz n ASP 167 Ca 0.00 0.11 -0.04 0.00 -0.53 0.00 0.00 54.79 54.33 1poz n ASP 167 Cb 0.13 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1poz n ILE 168 N -1.70 0.88 -3.70 0.53 5.41 -0.33 -4.87 119.36 115.58 1poz n ILE 168 Ca 0.05 0.27 -0.30 0.00 1.00 0.00 0.00 62.75 63.78 1poz n ILE 168 Cb 0.37 -1.85 -0.09 0.00 -0.71 0.00 0.00 39.64 37.35 1poz n ILE 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz n TYR 169 N -3.55 3.53 0.00 1.39 0.18 -0.91 -4.99 117.16 112.81 1poz n TYR 169 Ca -0.06 -4.18 0.00 0.00 1.88 0.00 0.00 57.90 55.54 1poz n TYR 169 Cb 0.24 -0.74 0.00 0.00 -0.38 0.00 0.00 39.34 38.45 1poz n TYR 169 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1poz n PRO 170 N 1.74 0.00 -1.52 -3.48 -0.02 -1.24 -4.75 135.00 125.73 1poz n PRO 170 Ca 0.23 0.23 -0.16 0.00 -2.02 0.00 0.00 63.50 61.78 1poz n PRO 170 Cb 0.37 -0.99 -0.07 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.72 -4.37 -4.51 2.55 2.88 -1.26 -4.94 113.62 103.25 1poz n SER 171 Ca 0.00 0.40 -0.34 0.00 -1.33 0.00 0.00 58.87 57.60 1poz n SER 171 Cb 0.00 -3.95 -0.12 0.00 -0.75 0.00 0.00 64.21 59.39 1poz n SER 171 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1poz s ASN 172 N -2.38 4.55 0.23 -3.46 3.04 -1.26 -5.09 114.94 110.56 1poz s ASN 172 Ca 0.00 -0.12 -0.30 0.00 0.04 0.00 0.00 52.86 52.48 1poz s ASN 172 Cb 0.00 -1.41 -0.10 0.00 -1.54 0.00 0.00 41.25 38.20 1poz s ASN 172 CO 0.00 0.27 1.42 -2.16 -3.04 0.00 0.00 177.10 173.59 1poz s PRO 173 N -0.25 4.29 -0.00 0.43 0.04 -1.26 -4.92 135.00 133.33 1poz s PRO 173 Ca 0.03 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.36 1poz s PRO 173 Cb -0.13 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1poz s PRO 173 CO 0.03 -0.40 0.14 0.25 0.04 0.00 0.00 177.00 177.06 1poz n THR 174 N 2.51 0.00 -1.92 1.26 -2.24 -1.26 -4.81 114.28 107.82 1poz n THR 174 Ca 0.07 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1poz n THR 174 Cb 0.41 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1poz n THR 174 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1poz s ASP 175 N -1.34 6.61 -1.91 3.42 2.15 -1.26 -1.92 116.67 122.41 1poz s ASP 175 Ca 0.01 2.40 0.00 0.00 0.43 0.00 0.00 52.55 55.39 1poz s ASP 175 Cb 0.03 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1poz s ASP 175 CO 0.14 -0.94 0.00 -0.67 -0.17 0.00 0.00 175.17 173.53 1poz n ASP 176 N 6.74 -5.08 -4.67 -0.34 2.03 -1.26 -4.89 116.55 109.09 1poz n ASP 176 Ca 0.17 0.37 -0.42 0.00 0.52 0.00 0.00 54.79 55.43 1poz n ASP 176 Cb 0.42 -4.46 -0.03 0.00 -0.72 0.00 0.00 41.12 36.33 1poz n ASP 176 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1poz s ASP 177 N -2.47 6.62 0.00 1.67 2.15 -0.81 -5.25 116.67 118.58 1poz s ASP 177 Ca 0.00 2.36 0.27 0.00 0.43 0.00 0.00 52.55 55.61 1poz s ASP 177 Cb 0.00 -2.54 1.62 0.00 -0.30 0.00 0.00 42.92 41.69 1poz s ASP 177 CO 0.00 -0.93 1.96 1.33 -0.17 0.00 0.00 175.17 177.37