#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 0.49 0.03 0.00 1.03 -1.26 -2.24 119.66 117.71 1poz s GLN 21 Ca 0.00 0.75 0.04 0.00 0.04 0.00 0.00 55.36 56.20 1poz s GLN 21 Cb 0.00 0.13 -0.02 0.00 0.03 0.00 0.00 33.01 33.16 1poz s GLN 21 CO 0.00 -0.11 -0.13 0.96 -2.54 0.00 0.00 175.29 173.47 1poz s ILE 22 N 0.84 1.03 -0.13 3.63 -4.36 -0.48 -4.88 121.20 116.85 1poz s ILE 22 Ca -0.05 -0.87 -0.04 0.00 -0.26 0.00 0.00 60.65 59.43 1poz s ILE 22 Cb -0.06 -0.92 -0.03 0.00 1.25 0.00 0.00 42.46 42.70 1poz s ILE 22 CO -0.07 0.05 0.02 -1.81 0.24 0.00 0.00 174.94 173.37 1poz s ASP 23 N -0.93 5.30 0.30 4.36 1.11 -1.26 -2.20 116.67 123.35 1poz s ASP 23 Ca 0.02 0.08 0.11 0.00 0.18 0.00 0.00 52.55 52.94 1poz s ASP 23 Cb -0.07 -1.71 -0.05 0.00 1.07 0.00 0.00 42.92 42.15 1poz s ASP 23 CO 0.01 0.27 -0.16 -0.76 1.18 0.00 0.00 175.17 175.72 1poz s LEU 24 N -0.25 2.67 -0.29 1.23 1.43 0.49 -1.97 118.68 121.99 1poz s LEU 24 Ca 0.06 -1.06 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 1poz s LEU 24 Cb -0.12 -1.10 0.17 0.00 0.03 0.00 0.00 46.19 45.16 1poz s LEU 24 CO 0.02 -0.04 0.44 0.21 0.23 0.00 0.00 176.35 177.21 1poz s ASN 25 N -3.55 -0.00 0.51 2.29 3.04 -0.84 0.02 114.94 116.41 1poz s ASN 25 Ca 0.31 -0.23 0.07 0.00 0.04 0.00 0.00 52.86 53.06 1poz s ASN 25 Cb -0.03 1.29 0.03 0.00 -1.54 0.00 0.00 41.25 41.00 1poz s ASN 25 CO 0.16 -0.34 0.50 0.27 -3.04 0.00 0.00 177.10 174.64 1poz s ILE 26 N 2.60 2.13 -0.21 -5.21 -4.36 0.43 0.37 121.20 116.94 1poz s ILE 26 Ca 0.10 -1.31 0.12 0.00 -0.26 0.00 0.00 60.65 59.30 1poz s ILE 26 Cb -0.12 -2.44 -0.21 0.00 1.25 0.00 0.00 42.46 40.94 1poz s ILE 26 CO -0.28 0.00 -0.04 0.41 0.24 0.00 0.00 174.94 175.27 1poz n THR 27 N -1.82 1.37 0.00 8.37 -1.04 0.13 0.13 114.28 121.42 1poz n THR 27 Ca 0.04 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1poz n THR 27 Cb 0.63 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 -1.59 2.86 -2.71 0.00 3.00 -0.59 -2.32 116.66 115.30 1poz n ARG 29 Ca 0.00 -4.51 -0.42 0.00 -0.01 0.00 0.00 57.85 52.91 1poz n ARG 29 Cb 0.00 -2.41 -0.03 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 -1.66 3.63 0.00 -1.55 0.40 -0.30 -1.80 117.98 116.70 1poz s PHE 30 Ca 0.30 1.67 0.00 0.00 -0.60 0.00 0.00 56.93 58.30 1poz s PHE 30 Cb -0.03 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1poz s PHE 30 CO -0.09 -0.05 0.00 0.00 0.70 0.00 0.00 175.22 175.78 1poz n ALA 31 N 4.13 0.00 0.00 5.36 0.00 0.12 -1.00 120.51 129.12 1poz n ALA 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1poz n ALA 31 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.91 0.32 3.39 0.00 0.00 -0.68 -2.38 105.19 103.92 1poz n GLY 32 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.20 3.98 -0.30 1.61 1.01 -0.17 -1.75 120.40 123.57 1poz s VAL 33 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1poz s VAL 33 Cb 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1poz s VAL 33 CO 0.00 0.34 0.05 0.12 0.00 0.00 0.00 175.10 175.62 1poz s PHE 34 N 1.56 3.17 -0.47 5.22 2.19 0.09 -1.15 117.98 128.58 1poz s PHE 34 Ca 0.06 -1.27 -0.28 0.00 0.33 0.00 0.00 56.93 55.77 1poz s PHE 34 Cb -0.15 -2.21 0.03 0.00 -1.31 0.00 0.00 43.02 39.38 1poz s PHE 34 CO 0.01 -0.66 1.06 -1.58 1.83 0.00 0.00 175.22 175.88 1poz s HIS 35 N 1.42 2.86 0.16 10.12 5.65 -0.98 -2.49 115.29 132.03 1poz s HIS 35 Ca 0.00 0.60 -0.17 0.00 0.25 0.00 0.00 55.06 55.74 1poz s HIS 35 Cb -0.18 -4.26 -0.07 0.00 -1.18 0.00 0.00 32.58 26.89 1poz s HIS 35 CO 0.01 -1.20 0.62 0.54 -0.65 0.00 0.00 174.74 174.06 1poz s VAL 36 N 4.20 4.72 0.00 0.89 0.11 0.41 0.20 120.40 130.92 1poz s VAL 36 Ca 0.44 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.57 1poz s VAL 36 Cb -0.08 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1poz s VAL 36 CO 0.30 0.29 0.00 -0.62 -3.33 0.00 0.00 175.10 171.73 1poz n GLU 37 N 0.94 0.00 0.00 1.54 1.02 0.16 -2.47 120.64 121.83 1poz n GLU 37 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1poz n GLU 37 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1poz n GLU 37 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1poz n LYS 38 N 0.00 0.00 0.00 3.49 0.00 -1.24 -1.99 118.16 118.43 1poz n LYS 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1poz n LYS 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1poz n LYS 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1poz n ASN 39 N 9.84 0.00 -1.11 3.14 2.85 -0.83 -0.10 115.26 129.06 1poz n ASN 39 Ca 0.00 0.25 0.05 0.00 -0.11 0.00 0.00 54.58 54.77 1poz n ASN 39 Cb 0.00 -0.25 0.10 0.00 1.24 0.00 0.00 39.78 40.87 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 -1.23 2.82 3.07 8.20 0.00 -1.14 -4.74 105.19 112.16 1poz n GLY 40 Ca 0.00 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 1poz n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1poz s ARG 41 N -1.42 1.13 0.00 1.61 1.70 0.86 -4.06 118.95 118.77 1poz s ARG 41 Ca 0.36 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 1poz s ARG 41 Cb 0.38 -1.06 0.00 0.00 -0.57 0.00 0.00 34.95 33.70 1poz s ARG 41 CO -0.13 0.23 0.00 0.66 -1.08 0.00 0.00 175.30 174.98 1poz n TYR 42 N 2.96 0.00 -2.16 5.89 4.02 -0.98 -4.39 117.16 122.49 1poz n TYR 42 Ca -0.16 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.74 1poz n TYR 42 Cb 0.55 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1poz n TYR 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1poz n SER 43 N 0.00 0.30 -4.89 7.72 7.64 -1.21 -4.11 113.62 119.07 1poz n SER 43 Ca 0.00 -1.94 -0.33 0.00 1.01 0.00 0.00 58.87 57.61 1poz n SER 43 Cb 0.00 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 1poz n SER 43 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1poz s ILE 44 N 0.00 5.31 0.00 0.44 2.07 -1.03 -4.84 121.20 123.14 1poz s ILE 44 Ca 0.11 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1poz s ILE 44 Cb 0.13 -3.49 0.00 0.00 0.13 0.00 0.00 42.46 39.23 1poz s ILE 44 CO -0.06 0.30 0.00 -1.20 -1.91 0.00 0.00 174.94 172.08 1poz n SER 45 N 0.89 0.28 -0.09 4.50 7.64 -1.26 -2.76 113.62 122.82 1poz n SER 45 Ca -0.10 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 1poz n SER 45 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.56 0.82 1.43 2.43 -1.99 -2.66 114.38 114.97 1poz h ARG 46 Ca 0.00 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1poz h ARG 46 Cb 0.00 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1poz h ARG 46 CO 0.00 0.83 -0.39 1.79 -1.51 0.00 0.00 179.97 180.69 1poz h THR 47 N 0.28 0.05 0.00 0.20 1.35 -1.99 -2.49 112.91 110.32 1poz h THR 47 Ca 0.05 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1poz h THR 47 Cb 0.68 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1poz h THR 47 CO 0.04 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.70 1poz n GLU 48 N -5.51 0.00 -0.25 4.72 1.02 -1.25 -1.22 120.64 118.15 1poz n GLU 48 Ca -0.14 0.36 -0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1poz n GLU 48 Cb 0.44 -1.19 0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1poz n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1poz n ALA 49 N -1.30 -0.11 -0.07 0.62 0.00 -1.00 0.12 120.51 118.77 1poz n ALA 49 Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 53.44 54.00 1poz n ALA 49 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz h ALA 50 N 0.84 -0.06 -0.31 0.00 0.00 -1.28 0.40 119.26 118.85 1poz h ALA 50 Ca 0.21 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1poz h ALA 50 Cb 0.38 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1poz h ALA 50 CO -0.64 -0.64 -0.47 -0.44 0.00 0.00 0.00 179.25 177.06 1poz h ASP 51 N -0.21 -1.55 0.72 0.00 3.32 0.24 0.92 116.42 119.86 1poz h ASP 51 Ca 0.15 0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 1poz h ASP 51 Cb 0.45 0.63 0.01 0.00 0.22 0.00 0.00 39.33 40.64 1poz h ASP 51 CO -0.42 -0.35 -0.35 0.25 -1.72 0.00 0.00 179.24 176.66 1poz h LEU 52 N -0.36 -0.82 -1.58 1.55 6.46 -1.16 0.65 115.31 120.05 1poz h LEU 52 Ca 0.06 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.92 1poz h LEU 52 Cb 0.51 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1poz h LEU 52 CO -0.48 -0.51 0.62 0.00 -0.62 0.00 0.00 178.44 177.44 1poz n LYS 54 N -3.23 0.64 -0.27 0.00 2.85 0.32 -0.72 118.16 117.74 1poz n LYS 54 Ca 0.06 0.30 0.09 0.00 -1.05 0.00 0.00 58.31 57.71 1poz n LYS 54 Cb 0.75 -1.80 0.23 0.00 -0.65 0.00 0.00 35.03 33.56 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1poz h ALA 55 N 0.96 1.11 -0.76 0.58 0.00 0.95 0.16 119.26 122.26 1poz h ALA 55 Ca -0.29 0.18 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 1poz h ALA 55 Cb 2.01 0.23 -0.27 0.00 0.00 0.00 0.00 17.79 19.76 1poz h ALA 55 CO 0.08 -0.36 0.19 1.97 0.00 0.00 0.00 179.25 181.14 1poz n PHE 56 N -5.15 2.49 -3.12 0.00 -1.74 -1.07 -0.28 117.46 108.58 1poz n PHE 56 Ca 0.17 -2.25 -0.04 0.00 -0.56 0.00 0.00 57.45 54.77 1poz n PHE 56 Cb 0.54 -0.85 0.00 0.00 1.52 0.00 0.00 39.48 40.69 1poz n PHE 56 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1poz n ASN 57 N -0.98 -6.18 -3.81 5.98 0.23 0.55 -4.65 115.26 106.40 1poz n ASN 57 Ca 0.50 0.32 -0.16 0.00 -0.53 0.00 0.00 54.58 54.71 1poz n ASN 57 Cb 1.02 -1.51 -0.16 0.00 -2.08 0.00 0.00 39.78 37.05 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1poz s SER 58 N -1.01 0.26 0.00 0.53 0.01 0.10 -3.62 113.70 109.98 1poz s SER 58 Ca 0.04 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1poz s SER 58 Cb -0.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1poz s SER 58 CO 0.09 -0.10 0.00 0.35 0.41 0.00 0.00 173.24 173.99 1poz n THR 59 N 4.04 0.00 -2.85 1.44 -2.24 -0.38 -4.60 114.28 109.68 1poz n THR 59 Ca -0.26 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1poz n THR 59 Cb 0.51 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1poz n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz n LEU 60 N 0.00 -1.95 0.13 3.22 -0.00 -1.26 -3.05 117.00 114.08 1poz n LEU 60 Ca 0.00 -3.78 -0.02 0.00 -0.00 0.00 0.00 56.01 52.21 1poz n LEU 60 Cb 0.00 0.82 0.15 0.00 -0.00 0.00 0.00 43.42 44.39 1poz n LEU 60 CO 0.00 2.06 0.47 1.55 -0.00 0.00 0.00 177.39 181.47 1poz h PRO 61 N 3.66 0.02 0.00 1.47 0.13 -1.98 -3.44 132.00 131.86 1poz h PRO 61 Ca -0.08 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1poz h PRO 61 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1poz h PRO 61 CO 0.31 0.65 0.00 2.41 -0.23 0.00 0.00 178.00 181.15 1poz n THR 62 N -3.78 0.00 -0.20 1.56 -1.04 -1.26 -3.29 114.28 106.26 1poz n THR 62 Ca -0.01 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.19 1poz n THR 62 Cb 0.64 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 69.49 1poz n THR 62 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1poz n MET 63 N 0.00 -0.03 0.04 -2.82 0.00 -1.26 0.22 117.12 113.27 1poz n MET 63 Ca 0.00 0.75 -0.19 0.00 -0.00 0.00 0.00 57.70 58.26 1poz n MET 63 Cb 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 33.22 31.69 1poz n MET 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1poz h ALA 64 N 1.06 -0.06 0.00 -5.12 0.00 -1.97 -2.86 119.26 110.31 1poz h ALA 64 Ca 0.48 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1poz h ALA 64 Cb 1.35 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1poz h ALA 64 CO -0.38 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1poz n GLN 65 N -4.15 0.01 -0.07 0.00 10.64 0.61 -2.39 117.38 122.03 1poz n GLN 65 Ca -0.13 0.06 -0.10 0.00 -1.83 0.00 0.00 57.00 55.00 1poz n GLN 65 Cb 0.79 -1.52 -0.07 0.00 -0.86 0.00 0.00 30.24 28.58 1poz n GLN 65 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.06 175.75 1poz h MET 66 N 0.00 0.00 -0.71 2.61 2.86 0.17 -2.50 114.93 117.36 1poz h MET 66 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1poz h MET 66 Cb 0.46 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1poz h MET 66 CO 0.00 0.54 0.23 1.05 1.06 0.00 0.00 176.91 179.79 1poz h GLU 67 N -1.00 1.08 0.56 1.72 -0.00 -1.57 0.15 114.58 115.53 1poz h GLU 67 Ca -0.08 -0.22 -0.03 0.00 -0.00 0.00 0.00 59.36 59.03 1poz h GLU 67 Cb 0.71 -0.16 0.01 0.00 -0.00 0.00 0.00 28.75 29.30 1poz h GLU 67 CO -0.05 0.91 -0.27 0.87 -0.00 0.00 0.00 179.01 180.48 1poz h LYS 68 N 1.05 -0.73 0.00 1.06 1.57 -1.64 0.65 116.57 118.53 1poz h LYS 68 Ca 0.23 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1poz h LYS 68 Cb 0.27 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1poz h LYS 68 CO -0.01 -0.42 0.00 0.00 -0.57 0.00 0.00 179.45 178.45 1poz h ALA 69 N -0.86 1.00 0.04 3.86 0.00 -1.39 -1.16 119.26 120.74 1poz h ALA 69 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1poz h ALA 69 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1poz h ALA 69 CO 0.13 0.00 -1.92 1.28 0.00 0.00 0.00 179.25 178.74 1poz n LEU 70 N -2.92 1.42 -0.64 0.00 4.32 0.52 -2.00 117.00 117.70 1poz n LEU 70 Ca -0.03 0.27 0.05 0.00 -0.02 0.00 0.00 56.01 56.29 1poz n LEU 70 Cb 0.06 -0.23 0.15 0.00 -1.62 0.00 0.00 43.42 41.78 1poz n LEU 70 CO 0.18 0.57 0.62 -1.20 -1.22 0.00 0.00 177.39 176.34 1poz n SER 71 N -3.15 1.86 -0.00 -1.43 7.64 0.22 -3.54 113.62 115.21 1poz n SER 71 Ca -0.25 -2.01 0.05 0.00 1.01 0.00 0.00 58.87 57.66 1poz n SER 71 Cb 1.06 -0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.96 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1poz n ILE 72 N 0.48 0.00 0.00 0.44 -6.64 -0.55 -5.00 119.36 108.09 1poz n ILE 72 Ca 0.11 -0.26 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 1poz n ILE 72 Cb 0.30 0.79 0.00 0.00 -1.44 0.00 0.00 39.64 39.28 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 1.44 1.46 3.34 3.28 0.00 -1.23 -4.93 105.19 108.55 1poz n GLY 73 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1poz n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1poz s PHE 74 N -2.00 2.58 -0.09 1.61 2.19 -0.85 -5.06 117.98 116.36 1poz s PHE 74 Ca 0.00 -0.55 -0.07 0.00 0.33 0.00 0.00 56.93 56.63 1poz s PHE 74 Cb 0.00 -1.65 0.03 0.00 -1.31 0.00 0.00 43.02 40.09 1poz s PHE 74 CO 0.00 -0.11 0.23 -1.83 1.83 0.00 0.00 175.22 175.34 1poz s GLU 75 N -0.22 0.25 0.00 10.12 -1.05 -1.26 -4.42 118.70 122.11 1poz s GLU 75 Ca -0.01 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 1poz s GLU 75 Cb -0.13 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 1poz s GLU 75 CO 0.03 -0.06 0.00 0.25 0.95 0.00 0.00 175.26 176.43 1poz n THR 76 N 3.24 0.00 -3.78 1.83 -2.24 -1.26 -5.06 114.28 107.00 1poz n THR 76 Ca -0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1poz n THR 76 Cb 0.57 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 68.10 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 -5.46 0.61 -0.83 0.00 3.52 -1.26 -5.07 118.95 110.46 1poz s ARG 78 Ca 0.16 0.84 -0.21 0.00 -0.13 0.00 0.00 55.73 56.39 1poz s ARG 78 Cb -0.08 0.24 -0.19 0.00 -1.56 0.00 0.00 34.95 33.37 1poz s ARG 78 CO 0.90 -0.09 2.15 0.66 -0.81 0.00 0.00 175.30 178.11 1poz n TYR 79 N 2.99 0.80 -3.76 5.12 4.01 -1.26 -4.47 117.16 120.59 1poz n TYR 79 Ca -0.15 -0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.17 1poz n TYR 79 Cb 0.56 -2.10 -0.13 0.00 -0.31 0.00 0.00 39.34 37.37 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 7.52 1.76 0.64 2.72 0.00 0.25 -2.92 107.32 117.30 1poz s GLY 80 Ca 0.86 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1poz s GLY 80 CO 0.18 0.52 0.19 0.33 0.00 0.00 0.00 173.10 174.32 1poz n PHE 81 N 4.90 -1.88 -2.45 1.90 7.35 0.13 -0.61 117.46 126.80 1poz n PHE 81 Ca -0.16 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1poz n PHE 81 Cb 0.51 -1.81 0.00 0.00 0.35 0.00 0.00 39.48 38.54 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1poz n ILE 82 N -1.93 0.00 0.14 -2.13 0.13 0.07 -2.28 119.36 113.35 1poz n ILE 82 Ca 0.09 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.60 1poz n ILE 82 Cb 0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.23 1poz n ILE 82 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1poz h GLU 83 N 0.00 -0.57 -0.33 9.51 4.39 -1.94 -0.07 114.58 125.57 1poz h GLU 83 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1poz h GLU 83 Cb 0.00 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1poz h GLU 83 CO 0.00 -0.38 0.00 0.41 -1.16 0.00 0.00 179.01 177.88 1poz n GLY 84 N -1.43 -0.12 2.46 -3.84 0.00 -1.26 -4.99 105.19 96.01 1poz n GLY 84 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.30 -0.01 -1.32 1.61 8.25 -0.04 -4.91 115.22 118.51 1poz n HIS 85 Ca 0.01 0.00 -0.57 0.00 -0.26 0.00 0.00 57.72 56.90 1poz n HIS 85 Cb 0.10 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 1poz n HIS 85 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1poz n VAL 86 N 0.00 0.06 -4.24 1.59 3.14 -1.26 -0.75 118.33 116.87 1poz n VAL 86 Ca 0.00 -0.09 -0.13 0.00 -2.96 0.00 0.00 64.34 61.16 1poz n VAL 86 Cb 0.00 -0.89 -0.10 0.00 -1.06 0.00 0.00 33.84 31.79 1poz n VAL 86 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1poz s VAL 87 N 6.41 0.41 -0.04 1.55 1.01 0.22 -2.63 120.40 127.33 1poz s VAL 87 Ca 1.16 -1.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1poz s VAL 87 Cb -1.28 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1poz s VAL 87 CO 0.60 -0.25 0.23 0.27 0.00 0.00 0.00 175.10 175.95 1poz s ILE 88 N -3.85 0.04 0.93 2.22 -4.36 -0.29 0.86 121.20 116.75 1poz s ILE 88 Ca 0.31 -0.33 -0.12 0.00 -0.26 0.00 0.00 60.65 60.25 1poz s ILE 88 Cb 0.07 -0.44 0.15 0.00 1.25 0.00 0.00 42.46 43.48 1poz s ILE 88 CO 0.08 -0.18 1.10 -2.16 0.24 0.00 0.00 174.94 174.02 1poz s PRO 89 N -0.69 1.00 0.00 0.37 0.04 -1.26 -2.57 135.00 131.89 1poz s PRO 89 Ca -0.08 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1poz s PRO 89 Cb -0.04 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1poz s PRO 89 CO 0.02 -2.34 0.00 -2.13 0.04 0.00 0.00 177.00 172.58 1poz n ARG 90 N -3.91 0.00 0.00 4.56 0.63 -1.26 -4.69 116.66 111.99 1poz n ARG 90 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1poz n ARG 90 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 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 0.00 -2.75 5.15 3.06 -1.26 -2.59 119.36 120.96 1poz n ILE 91 Ca 0.00 1.29 -0.09 0.00 -2.50 0.00 0.00 62.75 61.45 1poz n ILE 91 Cb 0.00 -2.27 0.08 0.00 0.54 0.00 0.00 39.64 37.99 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 -1.41 -1.80 0.00 9.51 8.25 -1.26 -4.84 115.22 123.67 1poz n HIS 92 Ca 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 57.72 55.16 1poz n HIS 92 Cb 0.00 1.12 0.00 0.00 1.12 0.00 0.00 29.99 32.23 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 -0.14 0.00 -0.64 -0.41 -0.04 -1.26 -4.95 135.00 127.55 1poz n PRO 93 Ca 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1poz n PRO 93 Cb 0.78 -0.18 -0.02 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.00 -0.29 -1.74 3.54 4.05 -1.26 -4.98 115.26 114.58 1poz n ASN 94 Ca 0.00 -1.29 -0.18 0.00 0.45 0.00 0.00 54.58 53.57 1poz n ASN 94 Cb 0.00 0.09 -0.06 0.00 1.23 0.00 0.00 39.78 41.04 1poz n ASN 94 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1poz n SER 95 N 0.00 -4.77 0.02 1.20 2.88 -1.26 -4.80 113.62 106.90 1poz n SER 95 Ca -0.08 0.34 0.11 0.00 -1.33 0.00 0.00 58.87 57.91 1poz n SER 95 Cb 0.56 -4.21 0.01 0.00 -0.75 0.00 0.00 64.21 59.82 1poz n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1poz n ILE 96 N -2.58 0.13 -3.01 2.46 3.06 -1.26 -4.12 119.36 114.04 1poz n ILE 96 Ca -0.18 -0.22 -0.44 0.00 -2.50 0.00 0.00 62.75 59.40 1poz n ILE 96 Cb 0.60 0.29 -0.03 0.00 0.54 0.00 0.00 39.64 41.04 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 6.19 0.00 -1.02 0.00 0.00 -1.26 -4.91 120.51 119.51 1poz n ALA 98 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1poz n ALA 98 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 -0.55 -0.63 0.00 0.00 -1.26 -4.81 120.51 113.27 1poz n ALA 99 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1poz n ALA 99 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.02 -0.02 -3.65 0.00 3.02 -1.26 -4.82 115.26 105.51 1poz n ASN 100 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1poz n ASN 100 Cb 0.10 -1.87 -0.05 0.00 -0.61 0.00 0.00 39.78 37.34 1poz n ASN 100 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1poz s ASN 101 N -2.25 -0.03 0.20 6.41 3.84 -1.26 -5.18 114.94 116.67 1poz s ASN 101 Ca 0.00 0.04 0.10 0.00 0.21 0.00 0.00 52.86 53.21 1poz s ASN 101 Cb 0.00 0.03 -0.04 0.00 -0.55 0.00 0.00 41.25 40.69 1poz s ASN 101 CO 0.00 -0.02 -0.15 0.28 -2.79 0.00 0.00 177.10 174.42 1poz s THR 102 N -0.74 2.87 0.00 -5.21 -1.32 -1.26 -4.93 115.64 105.05 1poz s THR 102 Ca 0.09 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.71 1poz s THR 102 Cb -0.02 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 1poz s THR 102 CO -0.10 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1poz n GLY 103 N 0.01 0.83 3.56 6.08 0.00 -1.07 -4.64 105.19 109.96 1poz n GLY 103 Ca -0.11 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 1poz n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1poz s VAL 104 N 0.00 3.07 -0.27 1.61 0.11 -1.26 -4.09 120.40 119.58 1poz s VAL 104 Ca 0.00 -0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 1poz s VAL 104 Cb 0.00 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 1poz s VAL 104 CO 0.00 -0.16 0.15 -0.47 -3.33 0.00 0.00 175.10 171.29 1poz s TYR 105 N 13.56 3.17 0.14 1.54 6.14 -1.06 -4.89 117.35 135.95 1poz s TYR 105 Ca 0.90 -0.08 0.00 0.00 0.64 0.00 0.00 57.07 58.53 1poz s TYR 105 Cb -0.13 -2.33 -0.04 0.00 0.42 0.00 0.00 41.96 39.88 1poz s TYR 105 CO 0.11 -0.23 0.30 0.42 0.64 0.00 0.00 175.55 176.79 1poz s ILE 106 N 1.71 5.29 1.08 3.14 -1.09 -1.25 -1.14 121.20 128.94 1poz s ILE 106 Ca 0.07 -0.45 -0.12 0.00 -2.23 0.00 0.00 60.65 57.91 1poz s ILE 106 Cb -0.16 -3.70 0.24 0.00 -1.58 0.00 0.00 42.46 37.26 1poz s ILE 106 CO 0.08 -0.04 1.06 -0.22 -1.23 0.00 0.00 174.94 174.59 1poz s LEU 107 N -3.01 1.27 -0.03 2.97 0.20 -1.08 -4.98 118.68 114.02 1poz s LEU 107 Ca 0.36 1.45 -0.15 0.00 0.69 0.00 0.00 54.13 56.48 1poz s LEU 107 Cb -0.12 -3.50 -0.32 0.00 -0.43 0.00 0.00 46.19 41.82 1poz s LEU 107 CO 0.28 -3.71 0.80 0.71 -0.29 0.00 0.00 176.35 174.13 1poz h THR 108 N -2.29 1.16 -3.64 3.68 1.35 -1.99 -3.47 112.91 107.72 1poz h THR 108 Ca -0.58 -2.56 -0.46 0.00 -0.55 0.00 0.00 66.41 62.27 1poz h THR 108 Cb 1.33 2.93 0.07 0.00 -1.73 0.00 0.00 68.15 70.74 1poz h THR 108 CO 0.52 0.79 0.20 -0.55 -0.25 0.00 0.00 175.52 176.24 1poz s SER 109 N -7.30 4.99 1.26 5.36 0.15 -1.26 -5.08 113.70 111.82 1poz s SER 109 Ca -0.14 0.46 -0.20 0.00 0.70 0.00 0.00 55.95 56.77 1poz s SER 109 Cb 0.04 -1.20 0.31 0.00 -1.71 0.00 0.00 66.02 63.46 1poz s SER 109 CO 0.87 -1.46 1.07 0.20 1.20 0.00 0.00 173.24 175.11 1poz s ASN 110 N -4.47 0.36 0.37 5.45 0.02 -1.26 -4.94 114.94 110.48 1poz s ASN 110 Ca 0.59 0.66 -0.28 0.00 -1.02 0.00 0.00 52.86 52.81 1poz s ASN 110 Cb -0.11 -0.91 -0.11 0.00 0.02 0.00 0.00 41.25 40.14 1poz s ASN 110 CO 0.44 -4.47 1.45 0.41 0.02 0.00 0.00 177.10 174.96 1poz n THR 111 N -5.00 2.01 0.00 1.60 -1.04 -1.26 -4.93 114.28 105.66 1poz n THR 111 Ca 0.13 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1poz n THR 111 Cb 0.60 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1poz n THR 111 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1poz n SER 112 N 0.50 0.00 -3.15 8.00 2.88 -1.26 -5.14 113.62 115.44 1poz n SER 112 Ca 0.02 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.61 1poz n SER 112 Cb 0.38 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 1poz n SER 112 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1poz s GLN 113 N 0.03 0.23 0.00 -1.46 -0.21 -1.26 -4.80 119.66 112.19 1poz s GLN 113 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1poz s GLN 113 Cb 0.00 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.24 1poz s GLN 113 CO 0.00 -0.25 0.00 0.66 -2.12 0.00 0.00 175.29 173.58 1poz n TYR 114 N 5.47 0.00 -1.77 0.91 4.01 -1.11 -3.34 117.16 121.33 1poz n TYR 114 Ca -0.06 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.48 1poz n TYR 114 Cb 0.53 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.70 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1poz n ASP 115 N 0.00 0.20 -3.50 7.72 8.00 -1.15 -2.32 116.55 125.51 1poz n ASP 115 Ca 0.00 -1.40 -0.17 0.00 0.71 0.00 0.00 54.79 53.93 1poz n ASP 115 Cb 0.00 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.85 0.00 0.44 -3.53 -1.32 -1.03 0.22 115.64 107.57 1poz s THR 116 Ca 0.51 -0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.05 1poz s THR 116 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1poz s THR 116 CO 0.35 -0.00 0.18 -0.31 -2.21 0.00 0.00 174.62 172.64 1poz s TYR 117 N -1.74 2.41 -0.27 9.09 1.51 -0.97 -0.45 117.35 126.93 1poz s TYR 117 Ca -0.08 -0.66 -0.23 0.00 -1.01 0.00 0.00 57.07 55.09 1poz s TYR 117 Cb -0.00 -1.91 0.07 0.00 -0.11 0.00 0.00 41.96 40.01 1poz s TYR 117 CO 0.05 0.12 0.72 0.00 -1.11 0.00 0.00 175.55 175.33 1poz s PHE 119 N 0.71 3.98 -0.40 0.00 5.36 -1.17 -0.73 117.98 125.72 1poz s PHE 119 Ca -0.03 -2.29 -0.24 0.00 -0.96 0.00 0.00 56.93 53.41 1poz s PHE 119 Cb -0.05 -3.83 0.02 0.00 -0.34 0.00 0.00 43.02 38.82 1poz s PHE 119 CO -0.05 -0.97 0.83 0.54 -1.46 0.00 0.00 175.22 174.11 1poz s ASN 120 N 1.80 6.53 0.52 6.13 4.22 -0.72 -1.25 114.94 132.17 1poz s ASN 120 Ca 0.23 0.24 0.29 0.00 -2.14 0.00 0.00 52.86 51.49 1poz s ASN 120 Cb -0.10 -2.41 1.60 0.00 1.28 0.00 0.00 41.25 41.62 1poz s ASN 120 CO -0.09 -0.85 1.88 0.00 -2.04 0.00 0.00 177.10 176.01 1poz h ALA 121 N 8.70 1.12 0.00 3.54 0.00 -1.82 0.33 119.26 131.14 1poz h ALA 121 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1poz h ALA 121 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1poz h ALA 121 CO 0.95 -0.12 -0.22 0.77 0.00 0.00 0.00 179.25 180.64 1poz h SER 122 N 0.00 0.00 -3.58 0.00 0.02 -1.83 -3.43 113.55 104.73 1poz h SER 122 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1poz h SER 122 Cb 0.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1poz h SER 122 CO 0.00 0.22 0.17 0.00 -1.14 0.00 0.00 176.83 176.08 1poz s ALA 123 N -4.26 3.41 0.18 3.77 0.00 0.12 -5.00 121.76 119.97 1poz s ALA 123 Ca -0.03 0.29 -0.33 0.00 0.00 0.00 0.00 51.96 51.90 1poz s ALA 123 Cb 0.14 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 20.19 1poz s ALA 123 CO 0.66 0.29 1.41 -2.30 0.00 0.00 0.00 175.76 175.82 1poz n PRO 124 N 1.09 1.80 -1.32 0.00 -0.02 -1.26 -4.50 135.00 130.79 1poz n PRO 124 Ca -0.03 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1poz n PRO 124 Cb 0.50 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.47 2.53 0.02 0.52 -0.02 -1.24 -1.69 135.00 137.59 1poz n PRO 125 Ca 0.15 -2.13 0.00 0.00 -2.02 0.00 0.00 63.50 59.50 1poz n PRO 125 Cb 0.28 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1poz n GLU 126 N 5.52 0.00 -3.19 -0.52 2.13 -1.00 -4.86 120.64 118.71 1poz n GLU 126 Ca 0.55 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.41 1poz n GLU 126 Cb 0.32 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.99 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1poz s GLU 127 N -1.44 0.00 -0.17 5.31 -1.05 -1.25 0.15 118.70 120.26 1poz s GLU 127 Ca 0.00 0.01 -0.08 0.00 -0.15 0.00 0.00 54.97 54.75 1poz s GLU 127 Cb 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 34.13 33.76 1poz s GLU 127 CO 0.00 -0.00 0.38 0.34 0.95 0.00 0.00 175.26 176.93 1poz s ASP 128 N 1.92 -0.32 0.00 0.83 2.15 -0.74 -4.74 116.67 115.77 1poz s ASP 128 Ca 0.00 0.85 0.09 0.00 0.43 0.00 0.00 52.55 53.92 1poz s ASP 128 Cb -0.00 0.88 0.17 0.00 -0.30 0.00 0.00 42.92 43.67 1poz s ASP 128 CO -0.15 -0.21 1.02 0.00 -0.17 0.00 0.00 175.17 175.66 1poz n THR 130 N 0.42 0.71 -1.54 0.00 -1.04 -1.26 -4.68 114.28 106.89 1poz n THR 130 Ca 0.08 -0.41 -0.54 0.00 -2.04 0.00 0.00 64.05 61.14 1poz n THR 130 Cb 0.32 -0.39 -0.07 0.00 -1.82 0.00 0.00 70.33 68.36 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 1.04 2.21 -1.15 8.00 3.41 -1.26 -4.80 113.62 121.06 1poz n SER 131 Ca 0.06 0.71 -0.01 0.00 -0.26 0.00 0.00 58.87 59.37 1poz n SER 131 Cb 0.51 -1.20 0.12 0.00 -0.26 0.00 0.00 64.21 63.39 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 6.07 1.27 0.05 -3.33 3.14 -1.26 -4.37 118.33 119.89 1poz n VAL 132 Ca 0.36 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1poz n VAL 132 Cb 0.17 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 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 0.13 0.00 0.00 1.55 5.66 -1.26 -4.23 114.28 116.12 1poz n THR 133 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1poz n THR 133 Cb 0.70 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 -0.25 0.00 -1.69 1.09 8.00 -1.26 -4.86 116.55 117.58 1poz n ASP 134 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1poz n ASP 134 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1poz n LEU 135 N 0.00 -1.66 -0.03 0.64 4.77 -1.25 -4.86 117.00 114.62 1poz n LEU 135 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1poz n LEU 135 Cb 0.00 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 1poz n LEU 135 CO 0.00 -0.18 0.19 -2.65 -1.33 0.00 0.00 177.39 173.42 1poz n PRO 136 N -2.44 0.40 0.00 3.23 -0.02 -1.10 -2.12 135.00 132.96 1poz n PRO 136 Ca -0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.41 1poz n PRO 136 Cb 0.63 -1.01 -0.13 0.00 -0.02 0.00 0.00 33.50 32.97 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 -0.45 0.34 -3.10 2.55 3.02 0.61 -4.97 115.26 113.27 1poz n ASN 137 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1poz n ASN 137 Cb 0.01 1.54 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 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 -2.05 0.00 -3.42 5.41 0.00 -0.90 -4.86 120.51 114.70 1poz n ALA 138 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1poz n ALA 138 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.45 -0.80 -3.09 0.00 -1.74 -1.09 -4.92 117.46 103.36 1poz n PHE 139 Ca 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.50 1poz n PHE 139 Cb 0.00 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 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 -0.70 7.07 0.00 5.98 1.01 -1.26 -2.96 116.67 125.82 1poz s ASP 140 Ca 0.00 1.28 0.00 0.00 0.71 0.00 0.00 52.55 54.54 1poz s ASP 140 Cb 0.00 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1poz s ASP 140 CO 0.00 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1poz n GLY 141 N 2.50 2.58 1.17 0.21 0.00 -1.21 -4.72 105.19 105.73 1poz n GLY 141 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1poz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poz n PRO 142 N -0.59 0.72 -2.57 1.61 -0.02 -1.25 -2.78 135.00 130.11 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 -1.14 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.36 4.31 -1.20 4.25 1.01 -0.63 -4.64 121.20 124.66 1poz s ILE 143 Ca 0.00 1.45 -0.21 0.00 0.00 0.00 0.00 60.65 61.88 1poz s ILE 143 Cb 0.00 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1poz s ILE 143 CO 0.00 -0.67 1.89 0.41 0.00 0.00 0.00 174.94 176.57 1poz n THR 144 N 6.32 2.42 -2.58 2.92 -1.04 -0.95 -1.21 114.28 120.16 1poz n THR 144 Ca 0.13 -2.50 -0.42 0.00 -2.04 0.00 0.00 64.05 59.22 1poz n THR 144 Cb 0.48 -2.22 -0.02 0.00 -1.82 0.00 0.00 70.33 66.74 1poz n THR 144 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1poz s ILE 145 N 9.09 3.99 -0.18 12.58 1.01 0.39 -1.38 121.20 146.69 1poz s ILE 145 Ca 0.64 0.84 -0.05 0.00 0.00 0.00 0.00 60.65 62.09 1poz s ILE 145 Cb 0.01 -4.75 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 1poz s ILE 145 CO 0.12 -1.40 -0.01 -0.89 0.00 0.00 0.00 174.94 172.76 1poz s THR 146 N 5.03 3.97 -0.23 2.92 2.01 -0.93 0.48 115.64 128.90 1poz s THR 146 Ca 0.42 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1poz s THR 146 Cb -0.08 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1poz s THR 146 CO 0.24 0.46 0.02 0.27 -0.69 0.00 0.00 174.62 174.93 1poz s ILE 147 N 0.66 3.98 -0.36 1.82 -0.00 0.10 0.18 121.20 127.58 1poz s ILE 147 Ca -0.01 -0.29 -0.12 0.00 -0.00 0.00 0.00 60.65 60.23 1poz s ILE 147 Cb -0.14 -2.84 0.01 0.00 -0.00 0.00 0.00 42.46 39.49 1poz s ILE 147 CO 0.02 0.38 0.22 -0.69 -0.00 0.00 0.00 174.94 174.88 1poz s VAL 148 N 1.44 4.85 0.40 8.37 1.01 0.10 -0.55 120.40 136.02 1poz s VAL 148 Ca 0.05 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1poz s VAL 148 Cb -0.15 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1poz s VAL 148 CO 0.01 -0.16 0.95 0.20 0.00 0.00 0.00 175.10 176.11 1poz s ASN 149 N 1.62 7.06 0.52 3.32 0.02 0.12 0.16 114.94 127.77 1poz s ASN 149 Ca 0.04 1.73 0.19 0.00 -1.02 0.00 0.00 52.86 53.80 1poz s ASN 149 Cb -0.18 -2.55 1.04 0.00 0.02 0.00 0.00 41.25 39.57 1poz s ASN 149 CO 0.08 -0.27 1.54 0.03 0.02 0.00 0.00 177.10 178.49 1poz h ARG 150 N 2.28 0.00 -0.98 -0.60 2.47 -0.42 0.10 114.38 117.23 1poz h ARG 150 Ca -0.48 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.21 1poz h ARG 150 Cb 1.18 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 1poz h ARG 150 CO 0.62 0.00 0.03 -3.47 0.56 0.00 0.00 179.97 177.72 1poz n ASP 151 N -2.48 2.27 -2.17 7.04 -0.08 -1.26 -4.80 116.55 115.07 1poz n ASP 151 Ca -0.01 -2.14 -0.19 0.00 -1.51 0.00 0.00 54.79 50.94 1poz n ASP 151 Cb 0.44 -0.53 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1poz n GLY 152 N 0.19 -0.33 3.72 0.27 0.00 0.32 -4.99 105.19 104.37 1poz n GLY 152 Ca 0.05 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.95 4.11 -0.05 2.61 -4.23 -1.00 -4.94 115.64 109.18 1poz s THR 153 Ca 0.00 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1poz s THR 153 Cb 0.00 -3.04 0.04 0.00 1.34 0.00 0.00 72.50 70.84 1poz s THR 153 CO 0.00 -0.02 0.09 0.00 -0.54 0.00 0.00 174.62 174.15 1poz s ARG 154 N -2.75 -0.01 0.07 3.99 1.70 -1.26 0.16 118.95 120.85 1poz s ARG 154 Ca 0.28 0.37 0.09 0.00 -0.47 0.00 0.00 55.73 56.00 1poz s ARG 154 Cb -0.10 -0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 1poz s ARG 154 CO 0.20 -0.25 -0.23 0.71 -1.08 0.00 0.00 175.30 174.66 1poz s TYR 155 N 1.71 2.42 -0.05 5.89 2.02 0.29 -4.93 117.35 124.71 1poz s TYR 155 Ca -0.02 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1poz s TYR 155 Cb -0.12 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1poz s TYR 155 CO -0.04 0.25 0.06 0.54 -1.57 0.00 0.00 175.55 174.78 1poz s VAL 156 N -0.94 4.66 0.02 0.71 0.11 -1.26 0.03 120.40 123.73 1poz s VAL 156 Ca 0.14 -0.28 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 1poz s VAL 156 Cb -0.10 -3.06 0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1poz s VAL 156 CO 0.05 0.47 0.30 -1.58 -3.33 0.00 0.00 175.10 171.01 1poz s GLN 157 N -1.35 0.75 -0.33 1.54 2.00 0.18 -4.94 119.66 117.51 1poz s GLN 157 Ca 0.18 -0.39 -0.00 0.00 -2.00 0.00 0.00 55.36 53.16 1poz s GLN 157 Cb -0.12 0.33 0.07 0.00 0.80 0.00 0.00 33.01 34.10 1poz s GLN 157 CO 0.09 -0.23 0.04 0.15 -0.50 0.00 0.00 175.29 174.83 1poz s LYS 158 N -2.07 2.12 0.00 1.67 1.02 -1.26 0.15 119.74 121.37 1poz s LYS 158 Ca -0.08 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.39 1poz s LYS 158 Cb -0.03 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1poz s LYS 158 CO -0.00 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 1poz n GLY 159 N 4.51 4.49 3.64 -3.33 0.00 -0.35 -4.78 105.19 109.37 1poz n GLY 159 Ca -0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1poz n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1poz s GLU 160 N 4.64 0.49 0.00 1.61 2.12 -1.15 -1.60 118.70 124.80 1poz s GLU 160 Ca 0.00 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1poz s GLU 160 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1poz s GLU 160 CO 0.00 -0.08 0.15 2.48 -0.54 0.00 0.00 175.26 177.27 1poz n TYR 161 N 3.08 0.00 -0.03 5.30 4.11 -1.26 -2.69 117.16 125.67 1poz n TYR 161 Ca -0.16 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.90 57.64 1poz n TYR 161 Cb 0.57 0.24 -0.02 0.00 -0.00 0.00 0.00 39.34 40.12 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 0.14 -0.99 -3.48 3.00 -1.26 -4.72 116.66 109.35 1poz n ARG 162 Ca -0.03 0.04 -0.04 0.00 -0.00 0.00 0.00 57.85 57.83 1poz n ARG 162 Cb 0.22 -0.96 -0.02 0.00 0.00 0.00 0.00 32.46 31.71 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1poz n THR 163 N -2.90 0.00 -3.94 5.15 -1.04 -1.26 -4.88 114.28 105.41 1poz n THR 163 Ca -0.11 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.60 1poz n THR 163 Cb 0.60 -1.03 -0.14 0.00 -1.82 0.00 0.00 70.33 67.95 1poz n THR 163 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1poz s ASN 164 N -1.88 4.41 0.28 8.00 0.01 -1.26 -4.94 114.94 119.56 1poz s ASN 164 Ca 0.00 -3.11 0.17 0.00 -0.71 0.00 0.00 52.86 49.21 1poz s ASN 164 Cb 0.00 -1.65 0.93 0.00 0.41 0.00 0.00 41.25 40.94 1poz s ASN 164 CO 0.00 -0.22 1.50 -2.65 -1.51 0.00 0.00 177.10 174.22 1poz n PRO 165 N 2.99 0.11 0.23 -0.60 -0.02 -1.26 -1.47 135.00 134.99 1poz n PRO 165 Ca 0.07 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.31 1poz n PRO 165 Cb 0.33 -1.93 0.78 0.00 -0.02 0.00 0.00 33.50 32.65 1poz n PRO 165 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1poz h GLU 166 N 0.00 0.00 0.00 -0.52 4.81 -1.92 -0.76 114.58 116.19 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 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1poz h GLU 166 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.81 1poz n ASP 167 N -2.67 0.00 -0.01 1.04 2.03 -0.54 -3.35 116.55 113.05 1poz n ASP 167 Ca -0.01 0.28 -0.01 0.00 0.52 0.00 0.00 54.79 55.57 1poz n ASP 167 Cb 0.14 -0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1poz n ILE 168 N -1.42 0.33 -3.67 5.18 5.41 -0.31 -4.79 119.36 120.09 1poz n ILE 168 Ca 0.09 0.29 -0.30 0.00 1.00 0.00 0.00 62.75 63.82 1poz n ILE 168 Cb 0.28 -1.48 -0.09 0.00 -0.71 0.00 0.00 39.64 37.64 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 -2.88 3.55 -1.55 1.39 0.18 -1.07 -4.98 117.16 111.80 1poz n TYR 169 Ca -0.02 -4.15 -0.41 0.00 1.88 0.00 0.00 57.90 55.20 1poz n TYR 169 Cb 0.07 -0.76 0.01 0.00 -0.38 0.00 0.00 39.34 38.29 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 1.70 1.01 -1.82 -3.48 -0.02 -1.21 -4.77 135.00 126.41 1poz n PRO 170 Ca 0.23 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1poz n PRO 170 Cb 0.37 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1poz n PRO 170 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1poz s SER 171 N -0.87 6.47 -0.38 2.55 0.15 -1.26 -4.98 113.70 115.37 1poz s SER 171 Ca 0.65 2.77 -0.05 0.00 0.70 0.00 0.00 55.95 60.01 1poz s SER 171 Cb -0.56 -2.60 0.08 0.00 -1.71 0.00 0.00 66.02 61.23 1poz s SER 171 CO 0.56 -0.91 0.17 0.21 1.20 0.00 0.00 173.24 174.47 1poz s ASN 172 N 1.12 5.31 0.30 5.45 3.84 -1.26 -5.08 114.94 124.62 1poz s ASN 172 Ca 0.72 -1.61 -0.29 0.00 0.21 0.00 0.00 52.86 51.89 1poz s ASN 172 Cb -0.47 -1.86 -0.13 0.00 -0.55 0.00 0.00 41.25 38.24 1poz s ASN 172 CO 0.32 -0.46 1.32 -2.65 -2.79 0.00 0.00 177.10 172.85 1poz n PRO 173 N 4.73 2.06 0.00 0.43 -0.02 -1.26 -4.86 135.00 136.09 1poz n PRO 173 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1poz n PRO 173 Cb 0.43 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.96 0.00 -1.79 3.45 -2.24 -1.26 -4.99 114.28 108.40 1poz n THR 174 Ca 0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1poz n THR 174 Cb 0.34 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1poz n THR 174 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1poz s ASP 175 N -1.00 6.37 -0.77 3.42 1.01 -1.26 -1.28 116.67 123.16 1poz s ASP 175 Ca 0.00 2.97 0.00 0.00 0.71 0.00 0.00 52.55 56.23 1poz s ASP 175 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1poz s ASP 175 CO 0.00 -0.90 0.00 0.47 0.21 0.00 0.00 175.17 174.95 1poz n ASP 176 N 1.70 -5.80 -0.04 0.27 8.00 -1.26 -4.74 116.55 114.69 1poz n ASP 176 Ca 0.06 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1poz n ASP 176 Cb 0.38 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 1poz n ASP 176 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1poz n ASP 177 N -1.11 -2.16 0.00 -2.24 8.00 -0.40 -5.28 116.55 113.35 1poz n ASP 177 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1poz n ASP 177 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1poz n ASP 177 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14