#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 0.63 -0.08 0.00 1.03 -1.26 -3.50 119.66 116.47 1poz s GLN 21 Ca 0.00 0.94 -0.03 0.00 0.04 0.00 0.00 55.36 56.31 1poz s GLN 21 Cb 0.00 0.21 0.05 0.00 0.03 0.00 0.00 33.01 33.29 1poz s GLN 21 CO 0.00 -0.11 0.16 0.42 -2.54 0.00 0.00 175.29 173.22 1poz s ILE 22 N 1.04 -0.24 0.08 3.63 1.09 -1.10 -4.93 121.20 120.77 1poz s ILE 22 Ca -0.05 0.35 -0.16 0.00 -1.10 0.00 0.00 60.65 59.68 1poz s ILE 22 Cb -0.05 -0.29 -0.07 0.00 -1.06 0.00 0.00 42.46 41.00 1poz s ILE 22 CO -0.12 0.15 0.52 -1.81 -0.10 0.00 0.00 174.94 173.58 1poz s ASP 23 N 2.21 6.92 0.41 3.58 1.11 -1.26 -2.83 116.67 126.80 1poz s ASP 23 Ca 0.02 1.12 0.08 0.00 0.18 0.00 0.00 52.55 53.96 1poz s ASP 23 Cb -0.12 -2.31 -0.01 0.00 1.07 0.00 0.00 42.92 41.55 1poz s ASP 23 CO -0.06 0.22 0.42 -0.76 1.18 0.00 0.00 175.17 176.18 1poz s LEU 24 N -1.42 3.49 -0.36 1.23 1.02 0.38 -1.70 118.68 121.32 1poz s LEU 24 Ca 0.31 -0.63 0.06 0.00 0.02 0.00 0.00 54.13 53.89 1poz s LEU 24 Cb -0.17 -2.24 0.18 0.00 0.02 0.00 0.00 46.19 43.98 1poz s LEU 24 CO 0.18 -0.65 0.56 0.21 0.02 0.00 0.00 176.35 176.66 1poz s ASN 25 N -4.18 -1.00 0.42 2.29 3.84 -0.37 -2.15 114.94 113.79 1poz s ASN 25 Ca 0.49 -0.55 0.07 0.00 0.21 0.00 0.00 52.86 53.09 1poz s ASN 25 Cb -0.05 1.71 -0.06 0.00 -0.55 0.00 0.00 41.25 42.30 1poz s ASN 25 CO 0.29 -0.24 0.14 0.27 -2.79 0.00 0.00 177.10 174.77 1poz s ILE 26 N 2.17 2.18 -0.24 -5.21 -4.36 0.12 0.88 121.20 116.73 1poz s ILE 26 Ca 0.14 -1.77 0.05 0.00 -0.26 0.00 0.00 60.65 58.80 1poz s ILE 26 Cb -0.08 -2.95 -0.19 0.00 1.25 0.00 0.00 42.46 40.49 1poz s ILE 26 CO -0.15 0.00 -0.15 0.41 0.24 0.00 0.00 174.94 175.29 1poz n THR 27 N -1.19 1.48 0.00 8.37 -1.04 -0.15 -0.03 114.28 121.71 1poz n THR 27 Ca -0.03 -0.63 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1poz n THR 27 Cb 0.65 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 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 -1.92 2.74 -2.69 0.00 3.00 -0.53 -2.80 116.66 114.46 1poz n ARG 29 Ca 0.00 -4.48 -0.42 0.00 -0.01 0.00 0.00 57.85 52.93 1poz n ARG 29 Cb 0.00 -2.42 -0.03 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 -1.43 3.55 0.00 -1.55 0.40 -0.05 -1.86 117.98 117.05 1poz s PHE 30 Ca 0.28 1.62 0.00 0.00 -0.60 0.00 0.00 56.93 58.23 1poz s PHE 30 Cb -0.07 -3.17 0.00 0.00 0.51 0.00 0.00 43.02 40.29 1poz s PHE 30 CO -0.12 -0.18 0.00 0.00 0.70 0.00 0.00 175.22 175.62 1poz n ALA 31 N 4.69 0.00 0.00 5.36 0.00 0.14 -0.97 120.51 129.72 1poz n ALA 31 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1poz n ALA 31 Cb 0.49 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.00 0.62 3.30 0.00 0.00 -0.59 -2.35 105.19 104.17 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 -1.41 3.26 -0.22 1.61 1.01 -0.15 -1.66 120.40 122.85 1poz s VAL 33 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1poz s VAL 33 Cb 0.00 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1poz s VAL 33 CO 0.00 0.43 -0.10 0.12 0.00 0.00 0.00 175.10 175.55 1poz s PHE 34 N 1.44 2.95 -0.22 5.22 5.36 -0.79 -0.87 117.98 131.07 1poz s PHE 34 Ca 0.05 -1.43 -0.24 0.00 -0.96 0.00 0.00 56.93 54.35 1poz s PHE 34 Cb -0.14 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1poz s PHE 34 CO -0.04 -0.71 0.80 -1.58 -1.46 0.00 0.00 175.22 172.23 1poz s HIS 35 N 1.35 3.34 0.16 10.12 5.65 -1.12 -2.55 115.29 132.24 1poz s HIS 35 Ca 0.03 1.13 0.05 0.00 0.25 0.00 0.00 55.06 56.52 1poz s HIS 35 Cb -0.15 -3.01 -0.04 0.00 -1.18 0.00 0.00 32.58 28.21 1poz s HIS 35 CO -0.07 -0.33 0.13 0.54 -0.65 0.00 0.00 174.74 174.36 1poz s VAL 36 N 2.56 4.49 0.01 0.89 0.11 0.12 -0.98 120.40 127.59 1poz s VAL 36 Ca 0.35 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1poz s VAL 36 Cb -0.16 -3.28 -0.01 0.00 -1.53 0.00 0.00 36.38 31.41 1poz s VAL 36 CO 0.09 -0.09 0.06 -1.61 -3.33 0.00 0.00 175.10 170.22 1poz s GLU 37 N -3.04 0.38 -0.67 1.54 2.02 0.25 -2.39 118.70 116.80 1poz s GLU 37 Ca 0.31 -0.47 -0.20 0.00 0.02 0.00 0.00 54.97 54.63 1poz s GLU 37 Cb -0.10 0.15 0.10 0.00 0.10 0.00 0.00 34.13 34.38 1poz s GLU 37 CO 0.23 -0.08 0.85 0.21 0.02 0.00 0.00 175.26 176.49 1poz s LYS 38 N -1.35 3.17 -0.98 1.61 2.47 0.83 -1.23 119.74 124.26 1poz s LYS 38 Ca -0.15 -1.30 -0.11 0.00 -1.56 0.00 0.00 55.97 52.85 1poz s LYS 38 Cb -0.08 -4.36 -0.32 0.00 -1.46 0.00 0.00 37.83 31.61 1poz s LYS 38 CO 0.00 -1.65 2.19 -1.71 0.16 0.00 0.00 175.35 174.35 1poz n ASN 39 N 6.66 -1.14 0.00 1.43 2.85 -0.69 -0.70 115.26 123.66 1poz n ASN 39 Ca -0.02 -0.61 0.00 0.00 -0.11 0.00 0.00 54.58 53.84 1poz n ASN 39 Cb 0.44 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.83 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 5.64 -0.89 3.58 8.20 0.00 -1.26 -4.69 105.19 115.77 1poz n GLY 40 Ca 0.66 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.41 1poz n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1poz s ARG 41 N 0.00 1.92 0.19 1.61 1.81 0.12 -4.96 118.95 119.65 1poz s ARG 41 Ca 0.00 -2.14 0.10 0.00 -1.72 0.00 0.00 55.73 51.96 1poz s ARG 41 Cb 0.00 -1.17 0.52 0.00 -0.45 0.00 0.00 34.95 33.85 1poz s ARG 41 CO 0.00 -0.26 1.20 0.98 -0.68 0.00 0.00 175.30 176.54 1poz n TYR 42 N -0.95 0.33 0.00 -0.53 4.19 -1.26 -4.48 117.16 114.45 1poz n TYR 42 Ca -0.08 0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.30 1poz n TYR 42 Cb 0.66 -0.64 0.00 0.00 0.49 0.00 0.00 39.34 39.86 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 -1.82 0.00 0.00 2.98 7.64 -1.26 -4.63 113.62 116.53 1poz n SER 43 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1poz n SER 43 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1poz n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n ILE 44 N 0.00 0.00 -3.88 0.44 3.06 0.28 -0.12 119.36 119.14 1poz n ILE 44 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1poz n ILE 44 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1poz n ILE 44 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1poz n SER 45 N 0.00 1.67 0.06 9.51 7.64 -1.25 -2.11 113.62 129.14 1poz n SER 45 Ca 0.00 -0.88 -0.03 0.00 1.01 0.00 0.00 58.87 58.97 1poz n SER 45 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.20 0.36 1.43 2.43 -1.96 -2.96 114.38 113.47 1poz h ARG 46 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1poz h ARG 46 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1poz h ARG 46 CO 0.00 -0.13 -0.17 1.79 -1.51 0.00 0.00 179.97 179.94 1poz h THR 47 N -0.61 0.65 -0.28 0.20 1.35 -1.98 -2.56 112.91 109.67 1poz h THR 47 Ca -0.02 -0.06 0.05 0.00 -0.55 0.00 0.00 66.41 65.82 1poz h THR 47 Cb 0.16 0.69 -0.08 0.00 -1.73 0.00 0.00 68.15 67.19 1poz h THR 47 CO 0.04 0.01 -0.49 -0.33 -0.25 0.00 0.00 175.52 174.49 1poz h GLU 48 N -0.51 -0.43 0.00 4.72 3.07 -1.85 -2.03 114.58 117.55 1poz h GLU 48 Ca -0.05 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1poz h GLU 48 Cb 0.39 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1poz h GLU 48 CO 0.08 -0.29 0.00 0.00 -1.40 0.00 0.00 179.01 177.40 1poz n ALA 49 N -3.03 -0.21 -0.25 3.43 0.00 -1.12 -2.12 120.51 117.21 1poz n ALA 49 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1poz n ALA 49 Cb 0.36 0.23 0.25 0.00 0.00 0.00 0.00 19.45 20.29 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 50 N -2.23 0.43 0.09 0.00 0.00 -0.97 0.75 120.51 118.59 1poz n ALA 50 Ca 0.00 0.78 -0.12 0.00 0.00 0.00 0.00 53.44 54.10 1poz n ALA 50 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 1poz n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1poz h ASP 51 N 0.00 -0.82 0.63 0.00 3.32 -0.82 -0.93 116.42 117.80 1poz h ASP 51 Ca 0.47 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.59 1poz h ASP 51 Cb 1.02 0.32 0.01 0.00 0.22 0.00 0.00 39.33 40.90 1poz h ASP 51 CO -0.67 -0.37 -0.30 -0.07 -1.72 0.00 0.00 179.24 176.11 1poz h LEU 52 N -0.47 -0.72 -1.13 1.55 3.38 0.67 0.34 115.31 118.92 1poz h LEU 52 Ca 0.04 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.11 1poz h LEU 52 Cb 0.52 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1poz h LEU 52 CO -0.19 -0.37 0.81 0.00 0.09 0.00 0.00 178.44 178.77 1poz n LYS 54 N -3.04 0.75 -0.33 0.00 5.02 -0.36 -1.42 118.16 118.78 1poz n LYS 54 Ca 0.08 0.27 0.23 0.00 -2.02 0.00 0.00 58.31 56.86 1poz n LYS 54 Cb 0.95 -1.72 0.43 0.00 -0.02 0.00 0.00 35.03 34.67 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1poz h ALA 55 N 0.17 1.65 -2.01 7.82 0.00 0.80 -0.96 119.26 126.72 1poz h ALA 55 Ca -0.41 0.30 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 1poz h ALA 55 Cb 2.04 0.46 -0.37 0.00 0.00 0.00 0.00 17.79 19.92 1poz h ALA 55 CO 0.09 -0.75 -0.06 1.97 0.00 0.00 0.00 179.25 180.51 1poz n PHE 56 N -5.37 3.32 -2.43 0.00 -1.74 -1.07 -0.04 117.46 110.14 1poz n PHE 56 Ca 0.30 -3.53 -0.00 0.00 -0.56 0.00 0.00 57.45 53.66 1poz n PHE 56 Cb 1.01 -0.79 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 0.52 -0.07 -4.22 5.98 3.02 -0.36 -4.66 115.26 115.47 1poz n ASN 57 Ca 0.32 -0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.68 1poz n ASN 57 Cb 0.36 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.89 1.85 0.32 6.41 0.15 -0.51 -3.33 113.70 116.71 1poz s SER 58 Ca 0.00 -0.79 0.05 0.00 0.70 0.00 0.00 55.95 55.91 1poz s SER 58 Cb -0.00 -0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.20 1poz s SER 58 CO 0.01 -0.16 0.03 0.42 1.20 0.00 0.00 173.24 174.74 1poz s THR 59 N -2.11 1.36 -0.21 6.45 -4.23 -1.04 -4.33 115.64 111.54 1poz s THR 59 Ca 0.07 -2.02 -0.33 0.00 -1.18 0.00 0.00 61.69 58.23 1poz s THR 59 Cb -0.05 -2.74 -0.10 0.00 1.34 0.00 0.00 72.50 70.96 1poz s THR 59 CO 0.02 -0.07 2.07 0.00 -0.54 0.00 0.00 174.62 176.10 1poz n LEU 60 N -0.69 2.98 -4.75 4.79 -0.00 -1.26 -1.58 117.00 116.49 1poz n LEU 60 Ca -0.03 0.59 -0.41 0.00 -0.00 0.00 0.00 56.01 56.16 1poz n LEU 60 Cb 0.66 -1.38 -0.03 0.00 -0.00 0.00 0.00 43.42 42.67 1poz n LEU 60 CO 0.42 -0.44 0.96 -2.16 -0.00 0.00 0.00 177.39 176.18 1poz s PRO 61 N 5.37 4.41 0.00 1.47 0.04 -1.26 -4.75 135.00 140.29 1poz s PRO 61 Ca 1.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 64.10 1poz s PRO 61 Cb -0.65 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1poz s PRO 61 CO 0.47 -0.18 0.00 0.25 0.04 0.00 0.00 177.00 177.58 1poz n THR 62 N 2.08 0.00 0.29 1.26 -2.24 -1.26 -0.53 114.28 113.89 1poz n THR 62 Ca 0.04 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.98 1poz n THR 62 Cb 0.43 -0.71 0.88 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.03 -0.78 2.86 -2.00 -2.64 114.93 112.40 1poz h MET 63 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1poz h MET 63 Cb 0.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1poz h MET 63 CO 0.00 0.05 -0.49 0.00 1.06 0.00 0.00 176.91 177.53 1poz h ALA 64 N 1.95 0.02 -0.29 6.32 0.00 -1.99 -1.99 119.26 123.28 1poz h ALA 64 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1poz h ALA 64 Cb 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1poz h ALA 64 CO 0.01 0.25 0.12 1.96 0.00 0.00 0.00 179.25 181.59 1poz h GLN 65 N -0.34 0.25 -0.36 0.00 7.50 -1.84 -2.61 115.11 117.71 1poz h GLN 65 Ca -0.07 -0.02 -0.15 0.00 0.50 0.00 0.00 58.65 58.92 1poz h GLN 65 Cb 1.26 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.72 1poz h GLN 65 CO 0.10 0.17 -0.37 0.00 -1.50 0.00 0.00 178.83 177.23 1poz h MET 66 N 0.26 0.83 0.02 1.46 -0.00 -1.60 -2.52 114.93 113.39 1poz h MET 66 Ca 0.12 -0.42 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 1poz h MET 66 Cb 0.07 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1poz h MET 66 CO -0.11 1.06 -0.05 0.93 -0.00 0.00 0.00 176.91 178.75 1poz h GLU 67 N 0.69 -0.08 -0.46 -0.10 5.08 -1.04 1.79 114.58 120.46 1poz h GLU 67 Ca 0.06 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1poz h GLU 67 Cb 0.93 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1poz h GLU 67 CO 0.09 -0.05 0.08 0.87 -1.00 0.00 0.00 179.01 179.00 1poz h LYS 68 N -0.08 0.20 0.00 2.33 1.57 -1.59 0.55 116.57 119.55 1poz h LYS 68 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1poz h LYS 68 Cb 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1poz h LYS 68 CO -0.02 0.13 -0.02 0.00 -0.57 0.00 0.00 179.45 178.98 1poz h ALA 69 N 1.36 1.13 0.10 3.86 0.00 -1.24 -1.52 119.26 122.95 1poz h ALA 69 Ca 0.23 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 1poz h ALA 69 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1poz h ALA 69 CO -0.31 0.02 -1.12 -0.07 0.00 0.00 0.00 179.25 177.77 1poz h LEU 70 N 0.00 0.35 0.00 0.00 4.07 0.76 -2.88 115.31 117.60 1poz h LEU 70 Ca -0.00 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 57.09 1poz h LEU 70 Cb 0.12 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1poz h LEU 70 CO 0.00 1.50 0.00 -0.24 -1.08 0.00 0.00 178.44 178.62 1poz n SER 71 N -4.08 0.00 -0.89 -0.43 2.88 0.78 -2.18 113.62 109.70 1poz n SER 71 Ca -0.21 -0.33 0.08 0.00 -1.33 0.00 0.00 58.87 57.08 1poz n SER 71 Cb 0.83 -0.15 0.21 0.00 -0.75 0.00 0.00 64.21 64.35 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1poz n ILE 72 N -1.15 0.95 -1.93 2.46 -6.64 -0.62 -5.01 119.36 107.43 1poz n ILE 72 Ca 0.13 -0.97 -0.01 0.00 -1.77 0.00 0.00 62.75 60.12 1poz n ILE 72 Cb 0.12 0.54 0.00 0.00 -1.44 0.00 0.00 39.64 38.86 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 0.93 -0.74 3.26 3.28 0.00 -0.92 -4.98 105.19 106.02 1poz n GLY 73 Ca 0.16 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.16 -0.53 -0.09 1.61 2.19 -1.09 -5.01 117.98 112.89 1poz s PHE 74 Ca 0.04 1.18 -0.31 0.00 0.33 0.00 0.00 56.93 58.17 1poz s PHE 74 Cb -0.01 0.21 0.12 0.00 -1.31 0.00 0.00 43.02 42.03 1poz s PHE 74 CO 0.22 -0.29 1.02 -1.83 1.83 0.00 0.00 175.22 176.17 1poz s GLU 75 N 1.03 0.61 0.00 10.12 -1.05 -1.26 -4.60 118.70 123.55 1poz s GLU 75 Ca -0.07 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 1poz s GLU 75 Cb -0.07 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1poz s GLU 75 CO -0.08 -0.26 0.00 0.25 0.95 0.00 0.00 175.26 176.12 1poz n THR 76 N -0.05 0.00 -1.35 1.83 -2.24 -1.26 -5.01 114.28 106.20 1poz n THR 76 Ca -0.06 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1poz n THR 76 Cb 0.60 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1poz n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz s ARG 78 N -2.93 1.73 -0.79 0.00 3.00 -1.26 -4.90 118.95 113.80 1poz s ARG 78 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 55.73 54.04 1poz s ARG 78 Cb 0.00 -1.97 -0.23 0.00 0.00 0.00 0.00 34.95 32.75 1poz s ARG 78 CO 0.00 0.41 1.92 0.66 0.00 0.00 0.00 175.30 178.29 1poz n TYR 79 N 0.16 1.18 -2.89 -0.53 4.01 -1.26 -4.50 117.16 113.33 1poz n TYR 79 Ca -0.12 -0.73 -0.42 0.00 -0.16 0.00 0.00 57.90 56.47 1poz n TYR 79 Cb 0.56 -2.02 -0.04 0.00 -0.31 0.00 0.00 39.34 37.52 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 7.27 1.83 0.24 2.72 0.00 0.13 0.54 107.32 120.05 1poz s GLY 80 Ca 0.73 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 1poz s GLY 80 CO 0.21 1.78 1.16 0.69 0.00 0.00 0.00 173.10 176.93 1poz n PHE 81 N 5.84 1.49 -2.27 1.90 3.72 0.12 -1.54 117.46 126.71 1poz n PHE 81 Ca 0.05 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 1poz n PHE 81 Cb 0.48 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 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 1.05 0.00 -0.23 4.37 0.13 0.14 -2.50 119.36 122.31 1poz n ILE 82 Ca 0.12 0.00 0.29 0.00 -1.10 0.00 0.00 62.75 62.06 1poz n ILE 82 Cb 0.29 -0.64 0.48 0.00 -0.84 0.00 0.00 39.64 38.93 1poz n ILE 82 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1poz h GLU 83 N 0.00 0.00 0.00 9.51 4.81 -1.10 -3.28 114.58 124.52 1poz h GLU 83 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1poz h GLU 83 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1poz h GLU 83 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1poz n GLY 84 N -1.72 0.00 3.61 1.92 0.00 -1.26 -4.90 105.19 102.84 1poz n GLY 84 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.68 -0.06 1.61 3.76 -1.24 -5.12 115.29 113.56 1poz s HIS 85 Ca 0.00 1.57 -0.30 0.00 -0.15 0.00 0.00 55.06 56.18 1poz s HIS 85 Cb 0.00 0.32 -0.08 0.00 1.11 0.00 0.00 32.58 33.93 1poz s HIS 85 CO 0.00 -0.39 2.05 1.55 -0.85 0.00 0.00 174.74 177.09 1poz n VAL 86 N 2.16 0.61 -4.21 -0.90 3.14 -1.26 0.24 118.33 118.11 1poz n VAL 86 Ca -0.14 -0.24 -0.12 0.00 -2.96 0.00 0.00 64.34 60.88 1poz n VAL 86 Cb 0.56 -2.34 -0.10 0.00 -1.06 0.00 0.00 33.84 30.90 1poz n VAL 86 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1poz s VAL 87 N 5.66 0.18 -0.14 1.55 -7.23 -0.59 -2.41 120.40 117.42 1poz s VAL 87 Ca 0.93 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1poz s VAL 87 Cb -0.44 -2.37 0.04 0.00 0.56 0.00 0.00 36.38 34.17 1poz s VAL 87 CO 0.41 -0.17 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.38 1poz s ILE 88 N -4.02 0.78 0.25 -0.62 1.01 0.29 0.22 121.20 119.11 1poz s ILE 88 Ca 0.33 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1poz s ILE 88 Cb 0.07 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.43 1poz s ILE 88 CO 0.09 0.11 1.01 -2.16 0.00 0.00 0.00 174.94 173.98 1poz s PRO 89 N 1.78 4.76 0.00 2.79 0.04 -1.26 -2.60 135.00 140.50 1poz s PRO 89 Ca 0.02 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1poz s PRO 89 Cb -0.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1poz s PRO 89 CO -0.07 0.37 0.00 -2.13 0.04 0.00 0.00 177.00 175.21 1poz n ARG 90 N 1.43 0.00 0.00 4.56 0.63 -1.26 -4.47 116.66 117.55 1poz n ARG 90 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1poz n ARG 90 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1poz n ARG 90 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1poz n ILE 91 N 0.00 0.00 -2.66 5.15 5.41 -1.26 -3.95 119.36 122.05 1poz n ILE 91 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1poz n ILE 91 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 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 0.00 -0.25 0.15 1.39 1.44 -1.26 -2.10 115.22 114.59 1poz n HIS 92 Ca 0.00 -0.64 -0.07 0.00 -2.01 0.00 0.00 57.72 55.00 1poz n HIS 92 Cb 0.00 1.15 -0.03 0.00 0.12 0.00 0.00 29.99 31.23 1poz n HIS 92 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1poz h PRO 93 N 1.36 -0.44 0.00 -1.40 0.13 -2.01 -3.45 132.00 126.19 1poz h PRO 93 Ca -0.53 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1poz h PRO 93 Cb 1.23 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1poz h PRO 93 CO -0.17 -0.29 0.00 -1.71 -0.23 0.00 0.00 178.00 175.60 1poz n ASN 94 N -4.93 0.00 -2.73 1.44 2.85 -1.26 -5.02 115.26 105.61 1poz n ASN 94 Ca -0.06 -0.02 -0.18 0.00 -0.11 0.00 0.00 54.58 54.21 1poz n ASN 94 Cb 0.18 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.20 1poz n ASN 94 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1poz n SER 95 N 0.00 -4.73 0.00 1.20 7.64 -1.26 -4.81 113.62 111.65 1poz n SER 95 Ca 0.00 -0.06 0.09 0.00 1.01 0.00 0.00 58.87 59.91 1poz n SER 95 Cb 0.01 -3.94 0.54 0.00 -1.01 0.00 0.00 64.21 59.81 1poz n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n ILE 96 N -3.85 0.00 0.00 0.44 3.06 -1.26 -3.68 119.36 114.07 1poz n ILE 96 Ca -0.14 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 1poz n ILE 96 Cb 0.62 -0.32 0.00 0.00 0.54 0.00 0.00 39.64 40.48 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1poz n ALA 98 N -2.17 0.00 -1.00 0.00 0.00 -1.26 -5.04 120.51 111.05 1poz n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1poz n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.35 0.95 0.00 0.00 0.00 -1.24 -5.07 120.51 113.79 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 -1.71 0.00 0.00 0.00 177.50 175.79 1poz n ASN 100 N -0.98 0.00 -4.63 0.00 2.85 -1.26 -4.65 115.26 106.59 1poz n ASN 100 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 1poz n ASN 100 Cb 0.00 0.02 0.02 0.00 1.24 0.00 0.00 39.78 41.05 1poz n ASN 100 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1poz n ASN 101 N -1.98 1.45 -4.37 1.20 5.15 -1.26 -4.76 115.26 110.69 1poz n ASN 101 Ca 0.00 1.03 -0.30 0.00 -0.60 0.00 0.00 54.58 54.70 1poz n ASN 101 Cb 0.00 -1.38 -0.14 0.00 -0.53 0.00 0.00 39.78 37.72 1poz n ASN 101 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1poz s THR 102 N -1.28 2.29 0.13 -0.44 -4.23 -1.26 -4.85 115.64 106.00 1poz s THR 102 Ca 0.64 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1poz s THR 102 Cb -0.53 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1poz s THR 102 CO 0.56 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.61 1poz n GLY 103 N 1.71 -4.85 3.58 3.99 0.00 -0.89 -4.75 105.19 103.97 1poz n GLY 103 Ca -0.17 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 1poz n GLY 103 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1poz n VAL 104 N 1.30 -5.69 -2.90 1.61 0.31 -1.23 -4.89 118.33 106.85 1poz n VAL 104 Ca 0.00 -0.26 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 1poz n VAL 104 Cb 0.00 -4.28 -0.05 0.00 -0.91 0.00 0.00 33.84 28.60 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1poz s TYR 105 N -3.10 2.97 0.52 3.52 5.04 -1.07 -4.71 117.35 120.53 1poz s TYR 105 Ca 0.10 0.30 -0.18 0.00 -2.44 0.00 0.00 57.07 54.85 1poz s TYR 105 Cb -0.04 -3.77 -0.07 0.00 0.35 0.00 0.00 41.96 38.43 1poz s TYR 105 CO 0.85 -1.01 1.04 0.42 -1.34 0.00 0.00 175.55 175.51 1poz s ILE 106 N 3.47 3.87 0.71 3.14 -1.09 -1.25 -0.55 121.20 129.51 1poz s ILE 106 Ca 0.33 1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 59.66 1poz s ILE 106 Cb -0.11 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1poz s ILE 106 CO 0.24 -0.37 1.12 -0.22 -1.23 0.00 0.00 174.94 174.48 1poz s LEU 107 N -3.88 3.26 -0.00 2.97 2.96 -1.01 -4.89 118.68 118.09 1poz s LEU 107 Ca 0.65 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 1poz s LEU 107 Cb -0.15 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.99 1poz s LEU 107 CO 0.27 -1.92 1.32 0.41 -1.32 0.00 0.00 176.35 175.11 1poz n THR 108 N -2.84 1.32 -1.14 3.68 -1.04 -1.26 -4.75 114.28 108.26 1poz n THR 108 Ca 0.11 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.86 1poz n THR 108 Cb 0.52 -1.16 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 1poz n THR 108 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1poz n SER 109 N 0.81 -3.03 0.00 8.00 3.41 -1.26 -4.82 113.62 116.73 1poz n SER 109 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1poz n SER 109 Cb 0.50 -2.68 0.00 0.00 -0.26 0.00 0.00 64.21 61.78 1poz n SER 109 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1poz n ASN 110 N -0.01 0.00 -4.75 4.04 5.15 -1.26 -4.91 115.26 113.51 1poz n ASN 110 Ca -0.09 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.52 1poz n ASN 110 Cb 0.35 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.63 1poz n ASN 110 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1poz s THR 111 N 0.00 2.34 -2.44 -0.44 -4.23 -1.26 -4.93 115.64 104.67 1poz s THR 111 Ca 0.00 0.24 0.24 0.00 -1.18 0.00 0.00 61.69 60.99 1poz s THR 111 Cb 0.00 -3.11 0.17 0.00 1.34 0.00 0.00 72.50 70.90 1poz s THR 111 CO 0.00 -0.02 1.30 -1.20 -0.54 0.00 0.00 174.62 174.16 1poz n SER 112 N -1.20 2.23 -4.53 3.99 7.64 -1.26 -4.94 113.62 115.54 1poz n SER 112 Ca 0.11 -1.63 -0.25 0.00 1.01 0.00 0.00 58.87 58.11 1poz n SER 112 Cb 0.47 0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.75 1poz n SER 112 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1poz s GLN 113 N -2.23 1.79 0.00 1.43 1.11 -1.26 -5.05 119.66 115.45 1poz s GLN 113 Ca 0.25 -1.95 0.00 0.00 0.01 0.00 0.00 55.36 53.67 1poz s GLN 113 Cb 0.19 -1.51 0.00 0.00 -1.01 0.00 0.00 33.01 30.68 1poz s GLN 113 CO 0.43 0.04 0.00 2.48 0.01 0.00 0.00 175.29 178.25 1poz n TYR 114 N -0.79 0.00 -1.27 0.91 0.18 -0.90 -4.85 117.16 110.43 1poz n TYR 114 Ca -0.05 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.71 1poz n TYR 114 Cb 0.65 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.62 1poz n TYR 114 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1poz n ASP 115 N 0.00 0.03 -3.65 9.48 5.75 0.19 0.10 116.55 128.45 1poz n ASP 115 Ca 0.00 -1.05 -0.11 0.00 -0.01 0.00 0.00 54.79 53.62 1poz n ASP 115 Cb 0.00 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 39.94 1poz n ASP 115 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1poz s THR 116 N -1.04 -0.00 0.49 2.12 -1.32 -1.00 0.11 115.64 115.00 1poz s THR 116 Ca 0.06 0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 1poz s THR 116 Cb -0.00 -0.94 0.04 0.00 -1.51 0.00 0.00 72.50 70.08 1poz s THR 116 CO 0.04 0.00 0.62 -0.31 -2.21 0.00 0.00 174.62 172.77 1poz s TYR 117 N 0.89 2.15 -0.30 9.09 1.51 -1.04 0.12 117.35 129.76 1poz s TYR 117 Ca -0.04 -0.58 -0.15 0.00 -1.01 0.00 0.00 57.07 55.29 1poz s TYR 117 Cb -0.05 -2.25 0.15 0.00 -0.11 0.00 0.00 41.96 39.70 1poz s TYR 117 CO -0.08 -0.68 0.96 0.00 -1.11 0.00 0.00 175.55 174.64 1poz s PHE 119 N 2.01 2.49 -0.25 0.00 2.19 -0.61 -1.88 117.98 121.92 1poz s PHE 119 Ca -0.06 -0.09 -0.09 0.00 0.33 0.00 0.00 56.93 57.02 1poz s PHE 119 Cb -0.05 -4.46 -0.04 0.00 -1.31 0.00 0.00 43.02 37.15 1poz s PHE 119 CO -0.17 -1.81 0.14 1.21 1.83 0.00 0.00 175.22 176.42 1poz s ASN 120 N 3.50 5.72 0.42 6.13 2.47 -0.66 -2.48 114.94 130.04 1poz s ASN 120 Ca 0.33 -0.04 0.13 0.00 0.42 0.00 0.00 52.86 53.70 1poz s ASN 120 Cb -0.11 -2.04 0.99 0.00 -1.45 0.00 0.00 41.25 38.65 1poz s ASN 120 CO 0.16 -0.01 1.95 0.00 -3.72 0.00 0.00 177.10 175.48 1poz h ALA 121 N 8.03 2.01 0.00 1.71 0.00 -1.82 0.26 119.26 129.45 1poz h ALA 121 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1poz h ALA 121 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1poz h ALA 121 CO 0.59 -0.17 0.04 0.77 0.00 0.00 0.00 179.25 180.48 1poz h SER 122 N 0.47 0.00 -3.29 0.00 0.02 -1.86 -3.41 113.55 105.48 1poz h SER 122 Ca 0.33 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.70 1poz h SER 122 Cb 0.64 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 1poz h SER 122 CO -0.10 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.53 1poz s ALA 123 N -3.75 3.49 0.11 3.77 0.00 0.93 -5.02 121.76 121.28 1poz s ALA 123 Ca -0.03 -0.05 -0.35 0.00 0.00 0.00 0.00 51.96 51.53 1poz s ALA 123 Cb 0.08 -2.70 -0.15 0.00 0.00 0.00 0.00 23.12 20.36 1poz s ALA 123 CO 0.26 0.12 1.53 -2.30 0.00 0.00 0.00 175.76 175.37 1poz n PRO 124 N 3.01 1.81 -1.39 0.00 -0.02 -1.26 -4.47 135.00 132.68 1poz n PRO 124 Ca -0.07 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1poz n PRO 124 Cb 0.51 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1poz n PRO 124 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1poz n PRO 125 N 3.38 2.26 0.00 0.52 -0.02 -1.24 -1.54 135.00 138.36 1poz n PRO 125 Ca 0.18 -2.18 0.00 0.00 -2.02 0.00 0.00 63.50 59.48 1poz n PRO 125 Cb 0.25 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 1poz n PRO 125 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1poz n GLU 126 N 6.23 0.00 -3.23 -0.52 0.28 -0.99 -4.88 120.64 117.53 1poz n GLU 126 Ca 0.52 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.56 1poz n GLU 126 Cb 0.37 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.22 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1poz s GLU 127 N -0.44 0.29 -0.07 3.44 -1.05 -1.25 0.24 118.70 119.86 1poz s GLU 127 Ca 0.00 0.59 -0.03 0.00 -0.15 0.00 0.00 54.97 55.38 1poz s GLU 127 Cb 0.00 0.34 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 1poz s GLU 127 CO 0.00 -0.25 0.13 0.34 0.95 0.00 0.00 175.26 176.43 1poz s ASP 128 N 2.79 0.62 0.00 0.83 2.15 -0.78 -4.79 116.67 117.48 1poz s ASP 128 Ca 0.03 0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.30 1poz s ASP 128 Cb -0.10 0.17 0.06 0.00 -0.30 0.00 0.00 42.92 42.75 1poz s ASP 128 CO -0.15 -0.22 0.89 0.00 -0.17 0.00 0.00 175.17 175.52 1poz n THR 130 N -0.07 0.00 -1.67 0.00 -1.04 -1.26 -4.78 114.28 105.46 1poz n THR 130 Ca 0.03 -0.25 -0.45 0.00 -2.04 0.00 0.00 64.05 61.33 1poz n THR 130 Cb 0.22 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 68.14 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 -0.94 3.77 -1.88 8.00 3.41 -1.26 -4.85 113.62 119.88 1poz n SER 131 Ca 0.03 0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 59.40 1poz n SER 131 Cb 0.59 -1.44 0.13 0.00 -0.26 0.00 0.00 64.21 63.23 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 5.39 2.58 0.17 -3.33 3.14 -1.26 -4.55 118.33 120.46 1poz n VAL 132 Ca 0.22 -1.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.22 1poz n VAL 132 Cb 0.35 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 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 -0.67 0.00 0.00 1.55 5.66 -1.26 -4.21 114.28 115.35 1poz n THR 133 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1poz n THR 133 Cb 1.34 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 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 0.13 0.00 -1.20 1.09 9.92 -1.26 -4.82 116.55 120.41 1poz n ASP 134 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1poz n ASP 134 Cb 0.02 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.49 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 -1.37 0.00 0.64 4.77 -1.25 -4.86 117.00 114.93 1poz n LEU 135 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1poz n LEU 135 Cb 0.00 -1.81 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 1poz n LEU 135 CO 0.00 -0.21 0.23 -0.81 -1.33 0.00 0.00 177.39 175.27 1poz n PRO 136 N -2.20 0.00 0.12 3.23 -0.04 -1.13 -1.33 135.00 133.66 1poz n PRO 136 Ca -0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1poz n PRO 136 Cb 0.55 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1poz n PRO 136 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1poz h ASN 137 N 0.00 0.00 -1.34 3.54 -0.73 -0.70 -3.47 115.58 112.87 1poz h ASN 137 Ca 0.00 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1poz h ASN 137 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 38.32 38.64 1poz h ASN 137 CO 0.00 0.13 -0.04 0.00 -0.37 0.00 0.00 177.43 177.15 1poz n ALA 138 N -2.20 -1.16 -3.12 1.57 0.00 -0.44 -4.82 120.51 110.35 1poz n ALA 138 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1poz n ALA 138 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1poz n ALA 138 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1poz n PHE 139 N -3.55 -1.32 -3.18 0.00 -1.74 -1.02 -4.89 117.46 101.77 1poz n PHE 139 Ca 0.03 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.53 1poz n PHE 139 Cb 0.13 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.07 1poz n PHE 139 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1poz s ASP 140 N -0.78 7.15 0.00 5.98 1.11 -1.26 -2.92 116.67 125.95 1poz s ASP 140 Ca 0.00 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.11 1poz s ASP 140 Cb 0.00 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.59 1poz s ASP 140 CO 0.00 0.23 0.00 0.61 1.18 0.00 0.00 175.17 177.19 1poz n GLY 141 N 1.58 3.85 0.99 0.21 0.00 -1.23 -4.71 105.19 105.87 1poz n GLY 141 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.10 0.67 -2.29 1.61 -0.02 -1.26 -2.96 135.00 129.65 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 -1.17 -0.02 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.30 4.06 -1.13 4.25 1.01 -0.78 -4.85 121.20 124.06 1poz s ILE 143 Ca 0.00 1.27 -0.23 0.00 0.00 0.00 0.00 60.65 61.70 1poz s ILE 143 Cb 0.00 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 1poz s ILE 143 CO 0.00 -0.12 1.93 -0.89 0.00 0.00 0.00 174.94 175.85 1poz s THR 144 N 3.70 3.55 -0.74 2.92 2.01 -1.23 -1.09 115.64 124.76 1poz s THR 144 Ca 0.61 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 1poz s THR 144 Cb -0.25 -4.48 0.03 0.00 0.01 0.00 0.00 72.50 67.81 1poz s THR 144 CO 0.19 -1.02 1.28 -0.63 -0.69 0.00 0.00 174.62 173.75 1poz s ILE 145 N 10.55 3.72 -0.10 1.82 1.01 0.30 -2.72 121.20 135.79 1poz s ILE 145 Ca 0.68 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 1poz s ILE 145 Cb -0.02 -4.92 -0.03 0.00 0.01 0.00 0.00 42.46 37.50 1poz s ILE 145 CO 0.10 -1.86 0.01 -0.89 0.00 0.00 0.00 174.94 172.30 1poz s THR 146 N 5.73 4.37 -0.15 2.92 2.01 -1.13 -0.81 115.64 128.58 1poz s THR 146 Ca 0.35 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 1poz s THR 146 Cb -0.08 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 1poz s THR 146 CO 0.15 0.58 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.91 1poz s ILE 147 N -0.67 2.96 -0.38 1.82 -1.09 -0.76 0.14 121.20 123.23 1poz s ILE 147 Ca 0.11 -0.68 -0.05 0.00 -2.23 0.00 0.00 60.65 57.80 1poz s ILE 147 Cb -0.12 -2.26 0.08 0.00 -1.58 0.00 0.00 42.46 38.58 1poz s ILE 147 CO 0.02 0.51 0.16 -0.69 -1.23 0.00 0.00 174.94 173.71 1poz s VAL 148 N 0.65 3.57 0.38 2.92 1.01 -0.91 -0.59 120.40 127.43 1poz s VAL 148 Ca -0.07 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 1poz s VAL 148 Cb -0.15 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 1poz s VAL 148 CO 0.02 -0.43 0.95 0.20 0.00 0.00 0.00 175.10 175.85 1poz s ASN 149 N 1.72 7.11 0.64 3.32 0.02 0.24 0.15 114.94 128.14 1poz s ASN 149 Ca 0.02 1.76 0.22 0.00 -1.02 0.00 0.00 52.86 53.84 1poz s ASN 149 Cb -0.22 -2.56 1.14 0.00 0.02 0.00 0.00 41.25 39.63 1poz s ASN 149 CO -0.01 -0.23 1.63 0.03 0.02 0.00 0.00 177.10 178.54 1poz h ARG 150 N 2.47 0.00 -0.99 -0.60 2.47 -0.58 0.24 114.38 117.38 1poz h ARG 150 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1poz h ARG 150 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1poz h ARG 150 CO 0.63 0.00 0.00 -3.47 0.56 0.00 0.00 179.97 177.69 1poz n ASP 151 N -3.00 1.67 -2.87 7.04 2.03 -1.26 -4.79 116.55 115.37 1poz n ASP 151 Ca 0.03 -1.91 -0.22 0.00 0.52 0.00 0.00 54.79 53.21 1poz n ASP 151 Cb 0.71 -0.48 0.02 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.21 -0.52 3.70 0.27 0.00 0.81 -4.99 105.19 104.67 1poz n GLY 152 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.12 4.13 -0.05 2.61 -4.23 -1.02 -4.95 115.64 109.02 1poz s THR 153 Ca 0.23 -0.84 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1poz s THR 153 Cb -0.10 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.83 1poz s THR 153 CO 0.28 0.20 -0.01 0.00 -0.54 0.00 0.00 174.62 174.55 1poz s ARG 154 N -2.09 0.54 0.27 3.99 1.70 -1.25 -0.59 118.95 121.51 1poz s ARG 154 Ca 0.24 0.06 0.10 0.00 -0.47 0.00 0.00 55.73 55.66 1poz s ARG 154 Cb -0.12 -0.77 -0.04 0.00 -0.57 0.00 0.00 34.95 33.45 1poz s ARG 154 CO 0.16 -0.20 -0.02 0.71 -1.08 0.00 0.00 175.30 174.87 1poz s TYR 155 N 1.43 2.65 -0.08 5.89 2.02 0.24 -4.92 117.35 124.57 1poz s TYR 155 Ca -0.04 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1poz s TYR 155 Cb -0.13 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1poz s TYR 155 CO -0.03 0.62 -0.14 0.54 -1.57 0.00 0.00 175.55 174.98 1poz s VAL 156 N -2.35 1.28 -0.05 0.71 0.11 -1.26 -1.83 120.40 117.01 1poz s VAL 156 Ca 0.31 -0.55 -0.17 0.00 -2.93 0.00 0.00 61.98 58.64 1poz s VAL 156 Cb -0.06 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 1poz s VAL 156 CO 0.19 0.39 0.39 -1.58 -3.33 0.00 0.00 175.10 171.16 1poz s GLN 157 N 0.75 0.69 -0.23 1.54 0.74 0.01 -4.99 119.66 118.17 1poz s GLN 157 Ca -0.13 0.04 -0.13 0.00 0.05 0.00 0.00 55.36 55.19 1poz s GLN 157 Cb -0.16 0.32 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 1poz s GLN 157 CO 0.03 -0.18 0.29 0.21 -0.55 0.00 0.00 175.29 175.09 1poz s LYS 158 N -0.99 4.11 0.00 1.67 2.20 -1.26 0.11 119.74 125.58 1poz s LYS 158 Ca -0.10 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1poz s LYS 158 Cb -0.04 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1poz s LYS 158 CO 0.04 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 1poz n GLY 159 N 4.18 3.71 3.63 5.54 0.00 -0.25 -4.92 105.19 117.09 1poz n GLY 159 Ca -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 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 4.38 0.57 0.00 1.61 0.41 -1.15 -1.87 118.70 122.65 1poz s GLU 160 Ca 0.00 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.61 1poz s GLU 160 Cb 0.00 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 1poz s GLU 160 CO 0.00 -0.13 0.15 2.48 -0.49 0.00 0.00 175.26 177.27 1poz n TYR 161 N 4.29 0.00 0.00 1.61 4.11 -1.26 -2.43 117.16 123.49 1poz n TYR 161 Ca -0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.65 1poz n TYR 161 Cb 0.57 0.28 0.00 0.00 -0.00 0.00 0.00 39.34 40.19 1poz n TYR 161 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1poz n ARG 162 N 0.00 0.00 0.00 -3.48 0.63 -1.26 -4.75 116.66 107.80 1poz n ARG 162 Ca -0.04 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1poz n ARG 162 Cb 0.31 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.35 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1poz n THR 163 N -1.59 0.00 -3.52 5.15 -1.04 -1.26 -4.72 114.28 107.30 1poz n THR 163 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1poz n THR 163 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1poz n ASN 164 N 0.00 2.76 0.20 8.00 2.85 -1.26 -4.89 115.26 122.92 1poz n ASN 164 Ca 0.00 -3.20 0.09 0.00 -0.11 0.00 0.00 54.58 51.36 1poz n ASN 164 Cb 0.00 -0.68 0.24 0.00 1.24 0.00 0.00 39.78 40.57 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1poz h PRO 165 N 4.60 0.00 0.00 1.20 0.13 -1.98 -3.12 132.00 132.83 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 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1poz h PRO 165 CO 0.72 0.20 0.00 1.49 -0.23 0.00 0.00 178.00 180.18 1poz h GLU 166 N 0.00 0.00 0.00 0.86 4.81 -1.90 -2.12 114.58 116.23 1poz h GLU 166 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1poz h GLU 166 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1poz h GLU 166 CO 0.03 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.84 1poz n ASP 167 N -2.89 0.00 0.00 1.04 -0.08 -1.18 -3.41 116.55 110.03 1poz n ASP 167 Ca 0.01 0.15 -0.03 0.00 -1.51 0.00 0.00 54.79 53.41 1poz n ASP 167 Cb 0.28 -0.37 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 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 -1.37 1.17 -3.86 5.18 5.41 -0.84 -4.92 119.36 120.13 1poz n ILE 168 Ca 0.09 0.30 -0.30 0.00 1.00 0.00 0.00 62.75 63.85 1poz n ILE 168 Cb 0.23 -1.77 -0.11 0.00 -0.71 0.00 0.00 39.64 37.27 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 -2.16 3.58 0.20 1.39 -0.85 -0.94 -5.09 117.35 113.48 1poz s TYR 169 Ca -0.09 -3.27 -0.30 0.00 -0.52 0.00 0.00 57.07 52.90 1poz s TYR 169 Cb 0.01 -2.81 -0.08 0.00 0.38 0.00 0.00 41.96 39.46 1poz s TYR 169 CO 0.13 -0.60 1.16 -1.25 -1.52 0.00 0.00 175.55 173.47 1poz s PRO 170 N -1.28 4.54 0.54 -3.49 0.04 -1.22 -4.68 135.00 129.46 1poz s PRO 170 Ca 0.24 1.82 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 1poz s PRO 170 Cb -0.08 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1poz s PRO 170 CO -0.14 0.00 1.35 0.45 0.04 0.00 0.00 177.00 178.71 1poz n SER 171 N 2.23 2.68 -4.84 6.66 2.88 -1.26 -5.01 113.62 116.96 1poz n SER 171 Ca 0.03 0.98 -0.33 0.00 -1.33 0.00 0.00 58.87 58.22 1poz n SER 171 Cb 0.45 -1.57 -0.06 0.00 -0.75 0.00 0.00 64.21 62.28 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 -0.89 5.97 0.00 -3.46 4.22 -1.26 -5.06 114.94 114.46 1poz s ASN 172 Ca 0.71 0.22 0.00 0.00 -2.14 0.00 0.00 52.86 51.65 1poz s ASN 172 Cb -0.42 -1.78 0.00 0.00 1.28 0.00 0.00 41.25 40.33 1poz s ASN 172 CO 0.50 0.25 0.92 -2.65 -2.04 0.00 0.00 177.10 174.08 1poz n PRO 173 N 0.96 0.00 0.00 3.55 -0.02 -1.26 -4.84 135.00 133.39 1poz n PRO 173 Ca -0.11 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1poz n PRO 173 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1poz n PRO 173 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1poz n THR 174 N -1.77 0.00 -1.43 3.45 -2.24 -1.26 -5.01 114.28 106.01 1poz n THR 174 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1poz n THR 174 Cb 0.00 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 1poz n THR 174 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1poz n ASP 175 N 0.00 -5.46 -0.28 3.42 9.92 -1.26 -4.74 116.55 118.15 1poz n ASP 175 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1poz n ASP 175 Cb 0.00 -4.28 0.00 0.00 -0.64 0.00 0.00 41.12 36.20 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1poz n ASP 176 N -1.11 -3.18 -4.72 -2.24 8.00 -1.26 -4.60 116.55 107.45 1poz n ASP 176 Ca -0.15 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 1poz n ASP 176 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 1poz n ASP 176 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1poz s ASP 177 N -4.00 6.41 0.00 -2.24 2.15 -1.26 -5.22 116.67 112.51 1poz s ASP 177 Ca 0.00 2.83 0.00 0.00 0.43 0.00 0.00 52.55 55.81 1poz s ASP 177 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1poz s ASP 177 CO 0.00 -0.95 0.00 0.55 -0.17 0.00 0.00 175.17 174.60