#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 0.88 -0.10 0.00 1.03 -1.26 -1.54 119.66 118.67 1poz s GLN 21 Ca 0.00 -0.14 -0.07 0.00 0.04 0.00 0.00 55.36 55.19 1poz s GLN 21 Cb 0.00 0.41 0.03 0.00 0.03 0.00 0.00 33.01 33.48 1poz s GLN 21 CO 0.00 -0.35 0.24 0.42 -2.54 0.00 0.00 175.29 173.07 1poz s ILE 22 N -2.46 -0.02 -0.26 3.63 1.09 -0.97 -4.88 121.20 117.33 1poz s ILE 22 Ca 0.00 0.06 -0.17 0.00 -1.10 0.00 0.00 60.65 59.44 1poz s ILE 22 Cb -0.01 -0.36 -0.03 0.00 -1.06 0.00 0.00 42.46 41.00 1poz s ILE 22 CO -0.04 0.02 0.48 -1.81 -0.10 0.00 0.00 174.94 173.49 1poz s ASP 23 N 0.59 6.39 -0.26 3.58 1.01 -1.26 -1.14 116.67 125.58 1poz s ASP 23 Ca -0.04 0.47 -0.02 0.00 0.71 0.00 0.00 52.55 53.67 1poz s ASP 23 Cb -0.05 -2.26 0.08 0.00 1.01 0.00 0.00 42.92 41.70 1poz s ASP 23 CO -0.03 -0.26 0.07 -0.76 0.21 0.00 0.00 175.17 174.40 1poz s LEU 24 N 2.22 1.56 0.04 1.23 1.43 -0.55 -2.48 118.68 122.14 1poz s LEU 24 Ca 0.20 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 51.83 1poz s LEU 24 Cb -0.16 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 1poz s LEU 24 CO 0.09 -0.37 0.66 0.20 0.23 0.00 0.00 176.35 177.17 1poz s ASN 25 N 1.78 7.10 0.52 2.29 0.01 0.28 -1.92 114.94 125.00 1poz s ASN 25 Ca 0.05 1.31 0.01 0.00 -0.71 0.00 0.00 52.86 53.53 1poz s ASN 25 Cb -0.17 -2.41 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1poz s ASN 25 CO -0.20 0.11 0.05 0.27 -1.51 0.00 0.00 177.10 175.82 1poz s ILE 26 N -0.36 1.19 -0.16 0.60 -4.36 0.31 -0.40 121.20 118.03 1poz s ILE 26 Ca 0.34 -1.94 0.19 0.00 -0.26 0.00 0.00 60.65 58.97 1poz s ILE 26 Cb -0.20 -2.13 -0.27 0.00 1.25 0.00 0.00 42.46 41.11 1poz s ILE 26 CO 0.20 0.00 0.18 0.41 0.24 0.00 0.00 174.94 175.97 1poz n THR 27 N -1.33 1.05 0.00 8.37 -1.04 0.22 -0.41 114.28 121.14 1poz n THR 27 Ca -0.18 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.06 1poz n THR 27 Cb 0.67 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz s ARG 29 N -2.17 3.68 0.06 0.00 3.52 -0.54 -2.25 118.95 121.25 1poz s ARG 29 Ca 0.00 -3.10 -0.29 0.00 -0.13 0.00 0.00 55.73 52.22 1poz s ARG 29 Cb 0.00 -4.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.07 1poz s ARG 29 CO 0.00 -1.25 0.91 -0.06 -0.81 0.00 0.00 175.30 174.09 1poz s PHE 30 N -1.03 3.74 -1.05 5.12 0.40 0.22 0.18 117.98 125.56 1poz s PHE 30 Ca 0.27 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.27 1poz s PHE 30 Cb -0.10 -3.01 0.00 0.00 0.51 0.00 0.00 43.02 40.42 1poz s PHE 30 CO -0.09 0.15 0.00 0.00 0.70 0.00 0.00 175.22 175.98 1poz n ALA 31 N 3.18 -0.15 0.00 5.36 0.00 0.48 0.56 120.51 129.93 1poz n ALA 31 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1poz n ALA 31 Cb 0.50 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1poz n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1poz n GLY 32 N 0.06 1.03 3.14 0.00 0.00 -0.37 -2.72 105.19 106.33 1poz n GLY 32 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1poz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1poz s VAL 33 N -2.00 2.45 -0.22 1.61 1.01 0.19 -0.29 120.40 123.15 1poz s VAL 33 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 1poz s VAL 33 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1poz s VAL 33 CO 0.00 0.23 -0.04 0.12 0.00 0.00 0.00 175.10 175.41 1poz s PHE 34 N 1.25 2.97 -0.26 5.22 5.36 -0.66 0.72 117.98 132.59 1poz s PHE 34 Ca -0.01 -0.96 -0.22 0.00 -0.96 0.00 0.00 56.93 54.78 1poz s PHE 34 Cb -0.17 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.39 1poz s PHE 34 CO -0.07 -0.56 0.73 -1.58 -1.46 0.00 0.00 175.22 172.28 1poz s HIS 35 N 1.47 3.28 -0.01 10.12 5.65 -0.95 -3.00 115.29 131.85 1poz s HIS 35 Ca 0.05 0.94 -0.01 0.00 0.25 0.00 0.00 55.06 56.29 1poz s HIS 35 Cb -0.14 -2.97 -0.04 0.00 -1.18 0.00 0.00 32.58 28.25 1poz s HIS 35 CO -0.03 -0.39 0.11 0.54 -0.65 0.00 0.00 174.74 174.32 1poz s VAL 36 N 2.70 4.94 0.11 0.89 0.11 0.06 0.70 120.40 129.90 1poz s VAL 36 Ca 0.30 -0.31 -0.25 0.00 -2.93 0.00 0.00 61.98 58.79 1poz s VAL 36 Cb -0.15 -3.26 0.07 0.00 -1.53 0.00 0.00 36.38 31.51 1poz s VAL 36 CO 0.08 0.36 0.62 -1.83 -3.33 0.00 0.00 175.10 171.01 1poz s GLU 37 N -1.74 1.22 0.52 1.54 -1.05 0.47 -1.80 118.70 117.86 1poz s GLU 37 Ca 0.23 -0.29 -0.12 0.00 -0.15 0.00 0.00 54.97 54.65 1poz s GLU 37 Cb -0.12 0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 34.08 1poz s GLU 37 CO 0.14 -0.50 0.92 0.15 0.95 0.00 0.00 175.26 176.92 1poz s LYS 38 N -3.11 3.74 -0.57 -4.83 1.02 -1.26 0.10 119.74 114.84 1poz s LYS 38 Ca -0.02 0.67 -0.32 0.00 0.02 0.00 0.00 55.97 56.32 1poz s LYS 38 Cb -0.01 -2.21 -0.13 0.00 -0.52 0.00 0.00 37.83 34.96 1poz s LYS 38 CO -0.07 -0.30 2.38 -1.71 -0.92 0.00 0.00 175.35 174.73 1poz n ASN 39 N -1.99 1.61 -3.52 2.83 2.85 -1.03 -0.23 115.26 115.78 1poz n ASN 39 Ca 0.05 0.12 -0.25 0.00 -0.11 0.00 0.00 54.58 54.38 1poz n ASN 39 Cb 0.54 -1.24 0.04 0.00 1.24 0.00 0.00 39.78 40.37 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1poz n GLY 40 N 6.45 -0.52 0.00 8.20 0.00 -1.26 -4.98 105.19 113.08 1poz n GLY 40 Ca 0.48 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1poz n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1poz n ARG 41 N -4.54 0.05 0.00 1.61 0.00 0.68 -4.98 116.66 109.48 1poz n ARG 41 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1poz n ARG 41 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.02 1poz n ARG 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1poz n TYR 42 N -1.47 0.00 -1.85 2.89 9.36 -1.26 -4.93 117.16 119.90 1poz n TYR 42 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1poz n TYR 42 Cb 0.00 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.92 -4.74 2.98 2.88 -1.26 -1.15 113.62 113.25 1poz n SER 43 Ca 0.00 -2.44 -0.41 0.00 -1.33 0.00 0.00 58.87 54.68 1poz n SER 43 Cb 0.00 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 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 -0.99 3.50 0.00 2.46 1.01 -0.76 -4.37 121.20 122.05 1poz s ILE 44 Ca 0.18 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1poz s ILE 44 Cb 0.18 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1poz s ILE 44 CO -0.04 0.19 0.00 -1.54 0.00 0.00 0.00 174.94 173.55 1poz n SER 45 N 2.65 0.90 0.10 3.58 3.41 -1.26 -3.03 113.62 119.97 1poz n SER 45 Ca 0.05 -0.20 -0.13 0.00 -0.26 0.00 0.00 58.87 58.33 1poz n SER 45 Cb 0.44 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.23 0.00 4.33 3.08 -1.97 -2.85 114.38 116.74 1poz h ARG 46 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1poz h ARG 46 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1poz h ARG 46 CO 0.00 0.04 0.00 0.25 -1.07 0.00 0.00 179.97 179.19 1poz n THR 47 N -5.08 0.00 0.05 2.04 -2.24 -1.26 0.16 114.28 107.95 1poz n THR 47 Ca -0.09 0.87 -0.02 0.00 -2.27 0.00 0.00 64.05 62.54 1poz n THR 47 Cb 0.20 -1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 67.23 1poz n THR 47 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1poz h GLU 48 N 0.00 -0.14 0.00 -0.78 4.81 -1.80 -2.66 114.58 114.01 1poz h GLU 48 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1poz h GLU 48 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1poz h GLU 48 CO 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 179.01 178.19 1poz n ALA 49 N -2.26 -0.07 -0.15 2.92 0.00 -0.99 -1.65 120.51 118.31 1poz n ALA 49 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1poz n ALA 49 Cb 0.06 0.28 0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.85 0.16 0.52 0.00 0.00 0.44 0.17 120.51 119.95 1poz n ALA 50 Ca 0.00 0.48 -0.21 0.00 0.00 0.00 0.00 53.44 53.71 1poz n ALA 50 Cb 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 1poz n ALA 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1poz h ASP 51 N 0.00 -1.11 0.33 0.00 3.58 -0.94 -1.85 116.42 116.43 1poz h ASP 51 Ca 0.24 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 1poz h ASP 51 Cb 0.43 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1poz h ASP 51 CO -0.43 -0.79 -0.16 0.25 -2.88 0.00 0.00 179.24 175.23 1poz h LEU 52 N -1.32 -0.38 -0.73 2.28 5.85 0.19 0.90 115.31 122.11 1poz h LEU 52 Ca -0.13 0.01 0.30 0.00 0.84 0.00 0.00 57.88 58.90 1poz h LEU 52 Cb 1.00 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.00 1poz h LEU 52 CO 0.22 -0.10 0.37 0.00 -0.34 0.00 0.00 178.44 178.60 1poz n LYS 54 N -4.67 0.63 -0.27 0.00 2.85 -0.70 -3.84 118.16 112.16 1poz n LYS 54 Ca 0.27 0.29 0.18 0.00 -1.05 0.00 0.00 58.31 58.01 1poz n LYS 54 Cb 0.92 -1.80 0.35 0.00 -0.65 0.00 0.00 35.03 33.85 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1poz n ALA 55 N -2.53 0.60 -2.52 0.58 0.00 1.45 0.86 120.51 118.95 1poz n ALA 55 Ca -0.16 0.86 -0.40 0.00 0.00 0.00 0.00 53.44 53.74 1poz n ALA 55 Cb 1.02 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.77 1poz n ALA 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1poz n PHE 56 N -5.02 2.85 -2.35 0.00 -1.74 -1.08 0.87 117.46 110.99 1poz n PHE 56 Ca 0.24 -2.57 -0.11 0.00 -0.56 0.00 0.00 57.45 54.46 1poz n PHE 56 Cb 0.82 -1.17 0.01 0.00 1.52 0.00 0.00 39.48 40.66 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 -0.16 -1.74 -4.40 5.98 3.02 0.25 -4.54 115.26 113.68 1poz n ASN 57 Ca 0.48 -0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.64 1poz n ASN 57 Cb 0.26 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1poz s SER 58 N -1.33 2.60 -0.15 6.41 0.01 -1.23 -2.12 113.70 117.89 1poz s SER 58 Ca 0.07 -1.16 -0.05 0.00 1.31 0.00 0.00 55.95 56.11 1poz s SER 58 Cb -0.01 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 1poz s SER 58 CO 0.30 -0.34 0.04 -0.89 0.41 0.00 0.00 173.24 172.77 1poz s THR 59 N -3.06 4.63 0.14 1.44 2.01 -0.57 -4.68 115.64 115.55 1poz s THR 59 Ca 0.28 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.01 1poz s THR 59 Cb 0.03 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.50 1poz s THR 59 CO 0.10 0.52 1.75 -0.07 -0.69 0.00 0.00 174.62 176.24 1poz h LEU 60 N 6.10 0.48 0.00 4.42 3.38 -1.92 -3.07 115.31 124.70 1poz h LEU 60 Ca -0.42 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1poz h LEU 60 Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1poz h LEU 60 CO 0.64 0.42 0.00 -2.65 0.09 0.00 0.00 178.44 176.94 1poz n PRO 61 N -4.75 0.00 -0.77 1.13 -0.02 -1.26 -3.60 135.00 125.73 1poz n PRO 61 Ca -0.00 0.93 -0.02 0.00 -2.02 0.00 0.00 63.50 62.39 1poz n PRO 61 Cb 0.07 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.14 1poz n PRO 61 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1poz n THR 62 N -2.84 0.00 0.46 3.45 -1.04 -1.24 -1.64 114.28 111.43 1poz n THR 62 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1poz n THR 62 Cb 0.00 -0.77 -0.09 0.00 -1.82 0.00 0.00 70.33 67.65 1poz n THR 62 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1poz h MET 63 N 0.00 -1.15 0.00 -2.82 2.86 -1.93 1.22 114.93 113.10 1poz h MET 63 Ca -0.03 0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 1poz h MET 63 Cb 0.72 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1poz h MET 63 CO 0.05 -0.77 -0.71 0.00 1.06 0.00 0.00 176.91 176.54 1poz h ALA 64 N -1.36 0.58 0.00 6.32 0.00 -2.00 -2.88 119.26 119.92 1poz h ALA 64 Ca -0.12 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.04 1poz h ALA 64 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1poz h ALA 64 CO 0.17 0.89 -0.48 1.96 0.00 0.00 0.00 179.25 181.78 1poz h GLN 65 N 0.00 0.00 0.02 0.00 7.50 -1.90 -2.37 115.11 118.36 1poz h GLN 65 Ca -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1poz h GLN 65 Cb 1.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.03 1poz h GLN 65 CO 0.09 0.48 -0.01 0.52 -1.50 0.00 0.00 178.83 178.42 1poz h MET 66 N 0.00 -0.03 -0.93 1.46 2.86 0.15 -2.79 114.93 115.66 1poz h MET 66 Ca -0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 1poz h MET 66 Cb 0.95 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.54 1poz h MET 66 CO 0.06 0.61 0.59 1.05 1.06 0.00 0.00 176.91 180.29 1poz h GLU 67 N -0.97 0.78 0.50 1.72 4.11 -1.56 0.38 114.58 119.54 1poz h GLU 67 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1poz h GLU 67 Cb 0.65 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1poz h GLU 67 CO 0.00 0.52 -0.24 -0.22 0.07 0.00 0.00 179.01 179.14 1poz h LYS 68 N 0.80 -0.64 0.00 1.06 3.11 -1.52 -2.15 116.57 117.24 1poz h LYS 68 Ca 0.46 0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.35 1poz h LYS 68 Cb 0.63 0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 32.00 1poz h LYS 68 CO -0.23 -0.37 -0.00 0.00 -2.81 0.00 0.00 179.45 176.04 1poz h ALA 69 N -0.37 1.57 -0.36 5.00 0.00 -1.05 -1.14 119.26 122.92 1poz h ALA 69 Ca -0.07 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1poz h ALA 69 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1poz h ALA 69 CO 0.11 0.00 -0.27 -0.07 0.00 0.00 0.00 179.25 179.02 1poz h LEU 70 N 0.00 0.76 -0.24 0.00 3.38 0.25 0.37 115.31 119.82 1poz h LEU 70 Ca -0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1poz h LEU 70 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1poz h LEU 70 CO 0.00 1.00 -0.16 0.28 0.09 0.00 0.00 178.44 179.64 1poz h SER 71 N 0.64 0.00 -0.01 -0.43 0.02 -0.61 -2.99 113.55 110.17 1poz h SER 71 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1poz h SER 71 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1poz h SER 71 CO 0.06 0.16 0.00 2.30 -1.14 0.00 0.00 176.83 178.22 1poz n ILE 72 N -3.16 0.01 -0.79 3.27 -6.64 -0.86 -4.89 119.36 106.29 1poz n ILE 72 Ca 0.03 -0.11 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 1poz n ILE 72 Cb 0.56 -0.07 0.00 0.00 -1.44 0.00 0.00 39.64 38.68 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 1.06 0.54 3.02 3.28 0.00 -1.09 -4.98 105.19 107.02 1poz n GLY 73 Ca 0.21 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.84 2.60 -0.06 1.61 5.36 0.09 -5.00 117.98 120.74 1poz s PHE 74 Ca 0.00 -1.73 -0.15 0.00 -0.96 0.00 0.00 56.93 54.09 1poz s PHE 74 Cb 0.00 -1.72 0.03 0.00 -0.34 0.00 0.00 43.02 40.99 1poz s PHE 74 CO 0.00 -0.78 0.35 -2.00 -1.46 0.00 0.00 175.22 171.34 1poz s GLU 75 N 1.33 0.62 0.00 10.12 2.12 -1.26 -4.18 118.70 127.45 1poz s GLU 75 Ca -0.02 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1poz s GLU 75 Cb -0.17 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1poz s GLU 75 CO -0.08 -0.15 0.00 0.25 -0.54 0.00 0.00 175.26 174.74 1poz n THR 76 N 1.75 0.00 -1.14 -1.70 -2.24 -1.26 -4.99 114.28 104.70 1poz n THR 76 Ca -0.19 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 1poz n THR 76 Cb 0.56 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.49 1.26 -0.20 0.00 0.52 -1.26 -4.94 118.95 111.84 1poz s ARG 78 Ca 0.00 -1.11 -0.28 0.00 -0.52 0.00 0.00 55.73 53.82 1poz s ARG 78 Cb 0.00 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 1poz s ARG 78 CO 0.00 0.36 2.10 0.71 0.02 0.00 0.00 175.30 178.49 1poz s TYR 79 N -1.02 1.31 0.03 -0.53 2.02 -1.26 -4.45 117.35 113.46 1poz s TYR 79 Ca 0.08 0.42 0.08 0.00 -0.37 0.00 0.00 57.07 57.28 1poz s TYR 79 Cb -0.10 -4.00 -0.03 0.00 -0.40 0.00 0.00 41.96 37.44 1poz s TYR 79 CO 0.04 -4.07 -0.25 0.20 -1.57 0.00 0.00 175.55 169.90 1poz s GLY 80 N 7.31 1.29 0.29 0.71 0.00 0.43 -1.51 107.32 115.85 1poz s GLY 80 Ca 0.95 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 1poz s GLY 80 CO 0.35 -1.06 1.47 0.33 0.00 0.00 0.00 173.10 174.19 1poz n PHE 81 N 1.91 2.51 -1.91 1.90 -0.00 -0.12 -2.25 117.46 119.51 1poz n PHE 81 Ca -0.17 0.39 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 1poz n PHE 81 Cb 0.52 -2.51 0.00 0.00 -0.00 0.00 0.00 39.48 37.49 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1poz n ILE 82 N 1.61 0.00 0.13 -2.13 0.13 0.04 -2.07 119.36 117.07 1poz n ILE 82 Ca 0.08 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 61.77 1poz n ILE 82 Cb 0.35 -0.42 0.20 0.00 -0.84 0.00 0.00 39.64 38.93 1poz n ILE 82 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 1poz n GLU 83 N 0.00 0.05 0.00 9.51 0.28 -0.65 -4.22 120.64 125.61 1poz n GLU 83 Ca 0.00 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1poz n GLU 83 Cb 0.00 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 30.78 1poz n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1poz n GLY 84 N -1.25 0.02 3.08 -1.84 0.00 -1.26 -4.37 105.19 99.56 1poz n GLY 84 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1poz n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1poz n HIS 85 N 0.00 -1.27 -2.80 1.61 8.25 -1.26 -5.08 115.22 114.67 1poz n HIS 85 Ca 0.00 -1.82 -0.42 0.00 -0.26 0.00 0.00 57.72 55.22 1poz n HIS 85 Cb 0.00 -0.39 -0.04 0.00 1.12 0.00 0.00 29.99 30.69 1poz n HIS 85 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1poz s VAL 86 N -2.10 4.61 0.34 1.59 1.01 -1.26 -0.78 120.40 123.81 1poz s VAL 86 Ca 0.32 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.64 1poz s VAL 86 Cb -0.03 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1poz s VAL 86 CO 0.20 -0.46 0.09 0.54 0.00 0.00 0.00 175.10 175.47 1poz s VAL 87 N 3.40 0.89 -0.10 2.92 0.11 -0.95 -2.54 120.40 124.12 1poz s VAL 87 Ca 0.38 -2.00 -0.10 0.00 -2.93 0.00 0.00 61.98 57.34 1poz s VAL 87 Cb -0.12 -2.62 0.03 0.00 -1.53 0.00 0.00 36.38 32.13 1poz s VAL 87 CO 0.17 0.00 0.27 -0.63 -3.33 0.00 0.00 175.10 171.58 1poz s ILE 88 N -3.35 0.00 0.29 7.04 1.01 0.19 -0.43 121.20 125.96 1poz s ILE 88 Ca 0.33 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1poz s ILE 88 Cb 0.07 -0.39 -0.10 0.00 0.01 0.00 0.00 42.46 42.05 1poz s ILE 88 CO 0.15 -0.01 1.10 -2.16 0.00 0.00 0.00 174.94 174.01 1poz s PRO 89 N 0.08 4.61 0.00 2.79 0.04 -1.26 -2.54 135.00 138.72 1poz s PRO 89 Ca -0.01 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1poz s PRO 89 Cb -0.02 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1poz s PRO 89 CO 0.00 0.19 0.00 -2.13 0.04 0.00 0.00 177.00 175.10 1poz n ARG 90 N 1.10 0.00 -1.36 4.56 0.63 -1.25 -4.58 116.66 115.76 1poz n ARG 90 Ca -0.01 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.55 1poz n ARG 90 Cb 0.45 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.41 1poz n ARG 90 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1poz n ILE 91 N 0.00 1.83 -1.16 5.15 3.06 -1.26 -0.56 119.36 126.42 1poz n ILE 91 Ca 0.00 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.79 1poz n ILE 91 Cb 0.00 -0.63 0.00 0.00 0.54 0.00 0.00 39.64 39.55 1poz n ILE 91 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1poz n HIS 92 N -1.96 -3.18 1.11 9.51 8.25 -1.26 -4.45 115.22 123.24 1poz n HIS 92 Ca 0.10 1.71 0.00 0.00 -0.26 0.00 0.00 57.72 59.28 1poz n HIS 92 Cb 0.49 -2.80 0.00 0.00 1.12 0.00 0.00 29.99 28.80 1poz n HIS 92 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1poz n PRO 93 N -1.87 0.55 -2.68 -0.41 -0.04 -1.26 -4.52 135.00 124.76 1poz n PRO 93 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1poz n PRO 93 Cb 0.24 -1.00 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1poz n PRO 93 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1poz s ASN 94 N -1.45 7.22 -0.05 3.54 2.47 -1.26 -4.90 114.94 120.50 1poz s ASN 94 Ca 0.00 1.50 -0.33 0.00 0.42 0.00 0.00 52.86 54.45 1poz s ASN 94 Cb 0.00 -2.55 -0.11 0.00 -1.45 0.00 0.00 41.25 37.14 1poz s ASN 94 CO 0.00 -0.49 1.91 -0.24 -3.72 0.00 0.00 177.10 174.56 1poz n SER 95 N 5.28 3.67 0.00 -4.21 2.88 -1.26 -4.83 113.62 115.16 1poz n SER 95 Ca 0.09 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1poz n SER 95 Cb 0.48 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 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 5.29 0.00 0.00 2.46 5.41 -1.26 -4.96 119.36 126.30 1poz n ILE 96 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1poz n ILE 96 Cb 0.33 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1poz h ALA 98 N -1.40 0.98 -1.28 0.00 0.00 -1.92 -3.49 119.26 112.15 1poz h ALA 98 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1poz h ALA 98 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1poz h ALA 98 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1poz n ALA 99 N -2.12 0.00 -0.65 0.00 0.00 -1.26 -4.81 120.51 111.67 1poz n ALA 99 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1poz n ALA 99 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.03 0.00 -2.65 0.00 3.02 -1.26 -4.73 115.26 106.61 1poz n ASN 100 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1poz n ASN 100 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 1poz n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1poz n ASN 101 N 4.91 -0.86 -0.55 6.41 3.02 -1.26 -5.00 115.26 121.93 1poz n ASN 101 Ca 0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1poz n ASN 101 Cb 0.00 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1poz n ASN 101 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1poz n THR 102 N -2.85 0.00 1.23 3.41 5.66 -1.26 -4.84 114.28 115.63 1poz n THR 102 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1poz n THR 102 Cb 0.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1poz n THR 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1poz n GLY 103 N 5.00 -0.35 2.65 1.09 0.00 0.28 -3.73 105.19 110.13 1poz n GLY 103 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 1.91 -2.86 1.61 0.31 -1.23 -3.95 118.33 113.75 1poz n VAL 104 Ca 0.00 -5.20 -0.42 0.00 -0.01 0.00 0.00 64.34 58.71 1poz n VAL 104 Cb 0.03 -1.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 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 -3.00 3.38 0.09 3.52 6.14 -1.05 -4.79 117.35 121.64 1poz s TYR 105 Ca 0.45 1.24 0.02 0.00 0.64 0.00 0.00 57.07 59.43 1poz s TYR 105 Cb 0.29 -3.05 -0.04 0.00 0.42 0.00 0.00 41.96 39.57 1poz s TYR 105 CO -0.11 -0.32 0.17 0.42 0.64 0.00 0.00 175.55 176.35 1poz s ILE 106 N 2.47 4.97 0.31 3.14 -1.09 -1.24 0.57 121.20 130.33 1poz s ILE 106 Ca 0.38 -0.65 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1poz s ILE 106 Cb -0.16 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1poz s ILE 106 CO 0.10 0.07 0.55 -0.22 -1.23 0.00 0.00 174.94 174.21 1poz s LEU 107 N -2.66 4.03 0.00 2.97 0.20 -1.05 -4.96 118.68 117.21 1poz s LEU 107 Ca 0.32 0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.76 1poz s LEU 107 Cb -0.12 -3.45 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1poz s LEU 107 CO 0.25 -0.23 0.00 0.41 -0.29 0.00 0.00 176.35 176.49 1poz n THR 108 N -1.25 0.00 -1.36 3.68 -1.04 -1.26 -4.87 114.28 108.18 1poz n THR 108 Ca -0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 1poz n THR 108 Cb 0.55 -0.50 0.20 0.00 -1.82 0.00 0.00 70.33 68.76 1poz n THR 108 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1poz s SER 109 N -3.21 2.07 0.00 8.00 0.01 -1.26 -5.03 113.70 114.28 1poz s SER 109 Ca 0.00 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1poz s SER 109 Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1poz s SER 109 CO 0.00 -3.41 0.27 0.59 0.41 0.00 0.00 173.24 171.10 1poz n ASN 110 N -4.29 0.00 -2.23 2.44 4.13 -1.26 -4.85 115.26 109.20 1poz n ASN 110 Ca 0.11 0.27 -0.16 0.00 1.68 0.00 0.00 54.58 56.48 1poz n ASN 110 Cb 0.59 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.81 1poz n ASN 110 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1poz n THR 111 N -0.32 -0.63 0.00 3.41 -1.04 -1.26 -4.50 114.28 109.93 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 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.32 1poz n THR 111 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1poz n SER 112 N -1.70 0.00 0.00 8.00 7.64 -1.26 -4.54 113.62 121.76 1poz n SER 112 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1poz n SER 112 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -3.67 1.43 1.13 -1.17 -4.99 117.38 110.11 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 -0.25 1.08 4.11 -0.30 -4.46 117.16 117.34 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 -3.58 9.48 8.00 -0.57 -1.83 116.55 128.05 1poz n ASP 115 Ca 0.00 -0.25 -0.16 0.00 0.71 0.00 0.00 54.79 55.09 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 0.01 0.21 -3.53 -1.32 -0.74 -0.95 115.64 109.06 1poz s THR 116 Ca 0.00 -0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.53 1poz s THR 116 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1poz s THR 116 CO 0.00 -0.02 -0.09 -0.31 -2.21 0.00 0.00 174.62 171.99 1poz s TYR 117 N -0.71 2.61 -0.29 9.09 1.51 -0.88 -0.76 117.35 127.91 1poz s TYR 117 Ca -0.08 -0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 1poz s TYR 117 Cb -0.02 -1.24 0.12 0.00 -0.11 0.00 0.00 41.96 40.71 1poz s TYR 117 CO 0.07 0.55 0.78 0.00 -1.11 0.00 0.00 175.55 175.83 1poz s PHE 119 N 2.19 2.83 -0.16 0.00 2.19 -1.16 -1.65 117.98 122.21 1poz s PHE 119 Ca -0.07 0.18 -0.24 0.00 0.33 0.00 0.00 56.93 57.13 1poz s PHE 119 Cb -0.07 -4.07 -0.02 0.00 -1.31 0.00 0.00 43.02 37.54 1poz s PHE 119 CO -0.18 -1.27 0.77 1.21 1.83 0.00 0.00 175.22 177.58 1poz s ASN 120 N 2.62 6.90 0.32 6.13 2.47 0.60 -1.51 114.94 132.48 1poz s ASN 120 Ca 0.34 1.10 0.24 0.00 0.42 0.00 0.00 52.86 54.97 1poz s ASN 120 Cb -0.11 -2.43 1.14 0.00 -1.45 0.00 0.00 41.25 38.40 1poz s ASN 120 CO 0.23 -0.34 1.74 0.00 -3.72 0.00 0.00 177.10 175.01 1poz h ALA 121 N 7.30 1.00 -0.15 1.71 0.00 -1.66 -3.10 119.26 124.36 1poz h ALA 121 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1poz h ALA 121 Cb 1.14 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1poz h ALA 121 CO 0.81 0.00 -0.41 0.66 0.00 0.00 0.00 179.25 180.32 1poz h SER 122 N 0.00 -1.28 -3.29 0.00 4.64 -1.84 -3.41 113.55 108.37 1poz h SER 122 Ca 0.00 0.17 -0.49 0.00 -0.47 0.00 0.00 61.79 61.00 1poz h SER 122 Cb 0.23 0.52 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1poz h SER 122 CO 0.00 -0.41 -0.02 0.00 -0.87 0.00 0.00 176.83 175.53 1poz s ALA 123 N -5.90 3.52 0.79 5.18 0.00 -1.17 -5.10 121.76 119.08 1poz s ALA 123 Ca -0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1poz s ALA 123 Cb 0.10 -2.41 0.07 0.00 0.00 0.00 0.00 23.12 20.88 1poz s ALA 123 CO 0.64 -0.15 1.14 -1.25 0.00 0.00 0.00 175.76 176.15 1poz s PRO 124 N -4.39 2.03 -1.18 0.00 0.04 -1.26 -4.54 135.00 125.70 1poz s PRO 124 Ca 0.45 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.40 1poz s PRO 124 Cb -0.10 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1poz s PRO 124 CO 0.39 -1.51 2.28 -2.30 0.04 0.00 0.00 177.00 175.90 1poz n PRO 125 N -3.23 2.48 0.00 0.56 -0.02 -1.18 -1.24 135.00 132.37 1poz n PRO 125 Ca 0.08 -2.03 0.00 0.00 -2.02 0.00 0.00 63.50 59.53 1poz n PRO 125 Cb 0.61 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1poz n PRO 125 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1poz n GLU 126 N 5.34 0.00 -3.65 -0.52 1.02 -1.10 -4.86 120.64 116.87 1poz n GLU 126 Ca 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.67 1poz n GLU 126 Cb 0.30 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.65 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1poz s GLU 127 N -0.27 0.27 -0.27 3.49 -1.05 -1.26 -0.39 118.70 119.23 1poz s GLU 127 Ca 0.00 0.42 -0.06 0.00 -0.15 0.00 0.00 54.97 55.18 1poz s GLU 127 Cb 0.00 0.08 0.14 0.00 -0.44 0.00 0.00 34.13 33.91 1poz s GLU 127 CO 0.00 -0.05 0.54 0.34 0.95 0.00 0.00 175.26 177.05 1poz s ASP 128 N 0.86 -0.81 -0.02 0.83 -1.08 0.13 -4.69 116.67 111.89 1poz s ASP 128 Ca -0.04 1.05 0.09 0.00 -0.52 0.00 0.00 52.55 53.13 1poz s ASP 128 Cb -0.04 1.88 0.26 0.00 -1.46 0.00 0.00 42.92 43.56 1poz s ASP 128 CO -0.12 -0.25 1.21 0.00 0.52 0.00 0.00 175.17 176.54 1poz n THR 130 N 0.17 0.09 -1.55 0.00 -2.24 -1.26 -4.62 114.28 104.88 1poz n THR 130 Ca 0.10 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1poz n THR 130 Cb 0.43 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 1poz n THR 130 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1poz n SER 131 N 0.48 1.30 -0.05 3.42 3.41 -1.26 -4.70 113.62 116.21 1poz n SER 131 Ca 0.04 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1poz n SER 131 Cb 0.54 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1poz n SER 131 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1poz n VAL 132 N 8.33 0.00 0.00 -3.33 0.24 -1.26 -3.77 118.33 118.54 1poz n VAL 132 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.79 1poz n VAL 132 Cb 0.39 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1poz n THR 133 N -0.41 0.00 -3.00 3.34 5.66 -1.26 -4.31 114.28 114.29 1poz n THR 133 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1poz n THR 133 Cb 0.00 -0.74 -0.05 0.00 -1.55 0.00 0.00 70.33 67.99 1poz n THR 133 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1poz s ASP 134 N -1.34 6.32 -0.35 1.09 -4.77 -1.25 -4.64 116.67 111.73 1poz s ASP 134 Ca 0.00 -0.46 0.11 0.00 -3.30 0.00 0.00 52.55 48.90 1poz s ASP 134 Cb 0.00 -2.36 0.45 0.00 -1.09 0.00 0.00 42.92 39.92 1poz s ASP 134 CO 0.00 -0.99 1.08 0.18 0.70 0.00 0.00 175.17 176.14 1poz n LEU 135 N 6.72 3.42 0.00 2.11 7.99 -1.26 -3.94 117.00 132.04 1poz n LEU 135 Ca -0.01 -4.41 0.04 0.00 -0.01 0.00 0.00 56.01 51.63 1poz n LEU 135 Cb 0.47 -0.06 0.24 0.00 -0.11 0.00 0.00 43.42 43.96 1poz n LEU 135 CO 0.58 1.86 0.52 -2.65 -1.51 0.00 0.00 177.39 176.19 1poz n PRO 136 N -0.43 0.21 0.00 3.23 -0.02 -0.96 -2.36 135.00 134.68 1poz n PRO 136 Ca 0.27 0.09 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1poz n PRO 136 Cb 0.78 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 33.36 1poz n PRO 136 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1poz n ASN 137 N -1.12 1.16 -1.51 2.55 2.85 0.25 -4.87 115.26 114.57 1poz n ASN 137 Ca 0.05 -1.33 0.00 0.00 -0.11 0.00 0.00 54.58 53.19 1poz n ASN 137 Cb 0.05 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1poz n ALA 138 N -0.13 0.00 -2.41 5.20 0.00 -0.99 -4.67 120.51 117.51 1poz n ALA 138 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 1poz n ALA 138 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 1poz n ALA 138 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1poz s PHE 139 N 1.11 2.37 0.08 0.00 -0.71 -1.24 -4.94 117.98 114.64 1poz s PHE 139 Ca 0.00 -0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 54.94 1poz s PHE 139 Cb 0.00 -1.97 -0.06 0.00 -1.21 0.00 0.00 43.02 39.79 1poz s PHE 139 CO 0.00 -0.01 1.14 0.34 -1.34 0.00 0.00 175.22 175.35 1poz s ASP 140 N -4.02 7.18 0.00 1.98 -1.08 -1.26 -2.44 116.67 117.02 1poz s ASP 140 Ca 0.39 1.97 0.00 0.00 -0.52 0.00 0.00 52.55 54.39 1poz s ASP 140 Cb 0.01 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1poz s ASP 140 CO 0.22 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 176.15 1poz n GLY 141 N 2.87 1.81 1.11 2.66 0.00 -1.08 -4.77 105.19 107.79 1poz n GLY 141 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.30 0.57 -2.41 1.61 -0.02 -1.25 -2.68 135.00 130.51 1poz n PRO 142 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1poz n PRO 142 Cb 0.00 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.49 3.75 -1.17 4.25 -1.09 -0.91 -3.87 121.20 122.65 1poz s ILE 143 Ca 0.00 -0.45 -0.23 0.00 -2.23 0.00 0.00 60.65 57.74 1poz s ILE 143 Cb 0.00 -4.74 -0.10 0.00 -1.58 0.00 0.00 42.46 36.04 1poz s ILE 143 CO 0.00 -1.65 1.95 -0.89 -1.23 0.00 0.00 174.94 173.12 1poz s THR 144 N 6.47 3.50 -0.08 2.92 2.01 -0.59 -0.53 115.64 129.34 1poz s THR 144 Ca 0.51 -0.84 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 1poz s THR 144 Cb -0.03 -4.51 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1poz s THR 144 CO -0.02 -0.91 0.87 -0.63 -0.69 0.00 0.00 174.62 173.23 1poz s ILE 145 N 11.56 4.91 0.06 1.82 1.01 0.17 -2.29 121.20 138.44 1poz s ILE 145 Ca 0.70 1.77 0.01 0.00 0.00 0.00 0.00 60.65 63.12 1poz s ILE 145 Cb -0.01 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1poz s ILE 145 CO 0.14 0.12 0.17 -0.89 0.00 0.00 0.00 174.94 174.47 1poz s THR 146 N 1.45 5.12 -0.40 2.92 2.01 -0.29 -1.22 115.64 125.23 1poz s THR 146 Ca 0.44 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.99 1poz s THR 146 Cb -0.18 -3.48 0.11 0.00 0.01 0.00 0.00 72.50 68.96 1poz s THR 146 CO 0.19 0.15 0.13 -0.63 -0.69 0.00 0.00 174.62 173.77 1poz s ILE 147 N -1.45 2.28 -0.65 1.82 -1.09 -0.95 -1.48 121.20 119.68 1poz s ILE 147 Ca 0.32 -2.63 -0.25 0.00 -2.23 0.00 0.00 60.65 55.87 1poz s ILE 147 Cb -0.13 -2.65 0.05 0.00 -1.58 0.00 0.00 42.46 38.15 1poz s ILE 147 CO 0.25 -0.68 1.07 -0.69 -1.23 0.00 0.00 174.94 173.66 1poz s VAL 148 N 0.52 4.14 0.38 2.92 1.01 -0.81 -2.33 120.40 126.24 1poz s VAL 148 Ca 0.13 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1poz s VAL 148 Cb -0.21 -4.72 -0.10 0.00 0.00 0.00 0.00 36.38 31.34 1poz s VAL 148 CO -0.06 -1.49 0.95 0.20 0.00 0.00 0.00 175.10 174.70 1poz s ASN 149 N 3.47 7.12 0.66 3.32 0.01 0.58 0.12 114.94 130.22 1poz s ASN 149 Ca 0.29 1.76 0.22 0.00 -0.71 0.00 0.00 52.86 54.41 1poz s ASN 149 Cb -0.13 -2.56 1.18 0.00 0.41 0.00 0.00 41.25 40.15 1poz s ASN 149 CO 0.14 -0.23 1.66 0.03 -1.51 0.00 0.00 177.10 177.20 1poz h ARG 150 N 2.50 0.00 -0.97 -0.60 2.47 -0.85 0.21 114.38 117.13 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 0.63 0.00 0.03 -0.25 0.56 0.00 0.00 179.97 180.94 1poz n ASP 151 N -2.77 2.17 -2.14 7.04 9.92 -1.26 -4.80 116.55 124.71 1poz n ASP 151 Ca -0.01 -2.13 -0.19 0.00 -0.53 0.00 0.00 54.79 51.92 1poz n ASP 151 Cb 0.55 -0.53 -0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1poz n GLY 152 N 0.17 -0.36 3.81 0.44 0.00 0.70 -4.99 105.19 104.95 1poz n GLY 152 Ca 0.05 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.94 4.37 -0.22 2.61 -4.23 -0.99 -4.93 115.64 109.31 1poz s THR 153 Ca 0.00 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1poz s THR 153 Cb 0.00 -3.34 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1poz s THR 153 CO 0.00 -0.32 0.41 0.00 -0.54 0.00 0.00 174.62 174.17 1poz s ARG 154 N -3.73 0.34 0.49 3.99 3.03 -1.25 -0.31 118.95 121.51 1poz s ARG 154 Ca 0.32 0.87 0.08 0.00 2.03 0.00 0.00 55.73 59.03 1poz s ARG 154 Cb -0.08 0.07 0.03 0.00 -1.03 0.00 0.00 34.95 33.93 1poz s ARG 154 CO 0.24 -0.40 0.52 0.71 -1.13 0.00 0.00 175.30 175.24 1poz s TYR 155 N 2.60 2.13 -0.02 5.89 2.02 -0.98 -4.87 117.35 124.12 1poz s TYR 155 Ca 0.04 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1poz s TYR 155 Cb -0.13 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 1poz s TYR 155 CO -0.14 -0.51 -0.04 0.54 -1.57 0.00 0.00 175.55 173.82 1poz s VAL 156 N -2.58 0.44 0.22 0.71 0.11 -1.26 -2.23 120.40 115.81 1poz s VAL 156 Ca 0.49 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 59.29 1poz s VAL 156 Cb -0.05 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1poz s VAL 156 CO 0.30 0.17 0.39 -1.58 -3.33 0.00 0.00 175.10 171.04 1poz s GLN 157 N 0.44 1.41 -0.20 1.54 -0.44 -0.36 -4.98 119.66 117.07 1poz s GLN 157 Ca -0.05 -1.28 0.00 0.00 -2.50 0.00 0.00 55.36 51.53 1poz s GLN 157 Cb -0.09 0.42 0.05 0.00 -1.64 0.00 0.00 33.01 31.75 1poz s GLN 157 CO -0.00 -0.56 -0.07 0.15 0.50 0.00 0.00 175.29 175.31 1poz s LYS 158 N -4.02 1.74 0.00 1.67 1.02 -1.25 0.45 119.74 119.35 1poz s LYS 158 Ca 0.23 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.46 1poz s LYS 158 Cb 0.01 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1poz s LYS 158 CO 0.07 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1poz n GLY 159 N 4.75 5.30 3.15 -3.33 0.00 0.31 -4.74 105.19 110.62 1poz n GLY 159 Ca -0.13 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 4.48 0.50 -0.31 1.61 0.41 -1.02 -2.15 118.70 122.21 1poz s GLU 160 Ca 0.00 0.57 0.17 0.00 -0.41 0.00 0.00 54.97 55.30 1poz s GLU 160 Cb 0.00 0.28 0.47 0.00 -1.78 0.00 0.00 34.13 33.10 1poz s GLU 160 CO 0.00 -0.86 1.06 0.66 -0.49 0.00 0.00 175.26 175.63 1poz n TYR 161 N 5.39 1.71 1.00 1.61 4.02 -1.26 -3.73 117.16 125.89 1poz n TYR 161 Ca 0.04 -2.52 0.00 0.00 -0.01 0.00 0.00 57.90 55.41 1poz n TYR 161 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1poz n TYR 161 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1poz n ARG 162 N -0.40 1.00 0.00 -0.72 0.63 -1.26 -3.89 116.66 112.02 1poz n ARG 162 Ca 0.17 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.24 1poz n ARG 162 Cb 0.81 -1.07 0.62 0.00 0.45 0.00 0.00 32.46 33.27 1poz n ARG 162 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1poz n THR 163 N 0.43 0.06 -3.21 5.15 -2.24 -1.26 -4.04 114.28 109.17 1poz n THR 163 Ca 0.00 0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 1poz n THR 163 Cb 0.46 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.48 1.78 0.21 3.42 4.05 -1.25 -4.54 115.26 117.45 1poz n ASN 164 Ca 0.08 -3.08 0.11 0.00 0.45 0.00 0.00 54.58 52.13 1poz n ASN 164 Cb 0.32 -0.63 0.20 0.00 1.23 0.00 0.00 39.78 40.90 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 3.70 0.00 0.00 1.20 0.13 -1.90 -3.16 132.00 131.97 1poz h PRO 165 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1poz h PRO 165 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1poz h PRO 165 CO 0.61 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 1poz n GLU 166 N -3.14 0.08 0.00 0.86 1.02 -1.26 -1.92 120.64 116.28 1poz n GLU 166 Ca 0.03 0.29 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1poz n GLU 166 Cb 0.55 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1poz n GLU 166 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1poz n ASP 167 N -1.80 1.03 -0.10 1.62 8.00 -1.19 -4.23 116.55 119.88 1poz n ASP 167 Ca 0.03 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.53 1poz n ASP 167 Cb 0.22 0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 41.84 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 -1.18 1.21 -3.88 0.53 5.41 -0.85 -4.78 119.36 115.83 1poz n ILE 168 Ca 0.06 -0.53 -0.29 0.00 1.00 0.00 0.00 62.75 62.99 1poz n ILE 168 Cb 0.36 -1.08 -0.12 0.00 -0.71 0.00 0.00 39.64 38.09 1poz n ILE 168 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1poz s TYR 169 N -2.42 3.60 0.18 1.39 2.02 -0.81 -5.09 117.35 116.21 1poz s TYR 169 Ca -0.24 -3.31 -0.30 0.00 -0.37 0.00 0.00 57.07 52.85 1poz s TYR 169 Cb 0.07 -2.76 -0.08 0.00 -0.40 0.00 0.00 41.96 38.79 1poz s TYR 169 CO 0.55 -0.57 1.15 -1.25 -1.57 0.00 0.00 175.55 173.86 1poz s PRO 170 N -1.42 4.53 -0.13 -1.71 0.04 -1.26 -4.79 135.00 130.27 1poz s PRO 170 Ca 0.25 1.80 0.10 0.00 0.04 0.00 0.00 61.00 63.19 1poz s PRO 170 Cb -0.05 -3.26 -0.15 0.00 0.04 0.00 0.00 34.50 31.08 1poz s PRO 170 CO -0.16 -0.02 0.02 0.45 0.04 0.00 0.00 177.00 177.33 1poz n SER 171 N 2.50 2.01 -4.24 6.66 2.88 -1.26 -4.90 113.62 117.27 1poz n SER 171 Ca 0.04 -0.01 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 1poz n SER 171 Cb 0.45 0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 64.47 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 -4.67 5.29 0.23 -3.46 0.02 -1.26 -5.08 114.94 106.00 1poz s ASN 172 Ca -0.08 -1.32 -0.30 0.00 -1.02 0.00 0.00 52.86 50.14 1poz s ASN 172 Cb 0.04 -1.86 -0.10 0.00 0.02 0.00 0.00 41.25 39.36 1poz s ASN 172 CO 0.50 -0.37 1.44 -2.16 0.02 0.00 0.00 177.10 176.52 1poz s PRO 173 N 1.35 4.28 0.00 -0.60 0.04 -1.26 -4.99 135.00 133.82 1poz s PRO 173 Ca -0.00 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1poz s PRO 173 Cb -0.20 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1poz s PRO 173 CO 0.01 -0.42 0.00 0.25 0.04 0.00 0.00 177.00 176.88 1poz n THR 174 N 2.60 0.00 -1.31 1.26 -2.24 -1.26 -4.91 114.28 108.42 1poz n THR 174 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1poz n THR 174 Cb 0.40 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.63 -5.53 -0.53 3.42 8.00 -1.26 -4.91 116.55 115.10 1poz n ASP 175 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1poz n ASP 175 Cb 0.00 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 1poz n ASP 175 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1poz n ASP 176 N -1.10 1.83 -1.26 -2.24 5.68 -1.26 -4.76 116.55 113.43 1poz n ASP 176 Ca -0.11 -0.27 -0.16 0.00 -0.50 0.00 0.00 54.79 53.75 1poz n ASP 176 Cb 0.58 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.50 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1poz n ASP 177 N -0.31 -5.31 0.00 -1.12 2.03 -1.26 -5.22 116.55 105.36 1poz n ASP 177 Ca 0.00 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1poz n ASP 177 Cb 0.00 -4.38 0.00 0.00 -0.72 0.00 0.00 41.12 36.02 1poz n ASP 177 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61