#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 1.02 0.03 0.00 -2.07 -1.26 -1.57 119.66 115.82 1poz s GLN 21 Ca 0.00 -0.55 -0.23 0.00 -1.82 0.00 0.00 55.36 52.76 1poz s GLN 21 Cb 0.00 0.36 0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1poz s GLN 21 CO 0.00 -0.47 0.54 0.96 -1.32 0.00 0.00 175.29 175.00 1poz s ILE 22 N -3.12 0.02 -0.23 3.63 -4.36 -0.70 -4.84 121.20 111.61 1poz s ILE 22 Ca 0.12 -0.20 -0.07 0.00 -0.26 0.00 0.00 60.65 60.23 1poz s ILE 22 Cb -0.00 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.71 1poz s ILE 22 CO 0.00 -0.11 0.07 -0.62 0.24 0.00 0.00 174.94 174.52 1poz s ASP 23 N -1.85 5.28 0.47 4.36 -1.08 -1.26 -2.22 116.67 120.37 1poz s ASP 23 Ca -0.06 -0.13 0.06 0.00 -0.52 0.00 0.00 52.55 51.90 1poz s ASP 23 Cb -0.01 -1.94 -0.01 0.00 -1.46 0.00 0.00 42.92 39.50 1poz s ASP 23 CO -0.00 0.02 0.30 -0.76 0.52 0.00 0.00 175.17 175.25 1poz s LEU 24 N 1.30 3.00 -0.30 -1.34 2.01 0.96 -1.35 118.68 122.96 1poz s LEU 24 Ca 0.05 -1.08 -0.09 0.00 0.01 0.00 0.00 54.13 53.02 1poz s LEU 24 Cb -0.15 -1.47 0.13 0.00 0.01 0.00 0.00 46.19 44.72 1poz s LEU 24 CO 0.04 -0.79 0.64 0.21 1.01 0.00 0.00 176.35 177.46 1poz s ASN 25 N -4.10 -1.16 0.43 2.29 3.84 -0.17 -2.17 114.94 113.91 1poz s ASN 25 Ca 0.39 1.52 0.03 0.00 0.21 0.00 0.00 52.86 55.01 1poz s ASN 25 Cb -0.00 2.29 -0.03 0.00 -0.55 0.00 0.00 41.25 42.96 1poz s ASN 25 CO 0.23 -0.22 0.07 0.27 -2.79 0.00 0.00 177.10 174.65 1poz s ILE 26 N 2.89 1.00 -0.17 -5.21 -4.36 0.18 0.10 121.20 115.64 1poz s ILE 26 Ca -0.04 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 1poz s ILE 26 Cb -0.12 -2.41 -0.12 0.00 1.25 0.00 0.00 42.46 41.06 1poz s ILE 26 CO -0.19 0.00 -0.11 0.41 0.24 0.00 0.00 174.94 175.28 1poz n THR 27 N -1.00 0.99 0.00 8.37 -1.04 -0.05 0.30 114.28 121.84 1poz n THR 27 Ca -0.10 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1poz n THR 27 Cb 0.66 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.87 2.80 -2.72 0.00 3.00 -0.68 -2.31 116.66 114.88 1poz n ARG 29 Ca 0.00 -4.49 -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 -1.50 3.65 0.00 -1.55 0.40 0.22 -1.62 117.98 117.58 1poz s PHE 30 Ca 0.29 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.30 1poz s PHE 30 Cb -0.06 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1poz s PHE 30 CO -0.11 -0.02 0.00 0.00 0.70 0.00 0.00 175.22 175.79 1poz n ALA 31 N 3.96 0.00 0.00 5.36 0.00 0.77 -0.61 120.51 129.99 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 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 1.35 3.29 0.00 0.00 -0.60 -2.54 105.19 104.68 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 -2.00 3.28 -0.27 1.61 1.01 0.23 -1.55 120.40 122.70 1poz s VAL 33 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1poz s VAL 33 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1poz s VAL 33 CO 0.00 0.40 -0.00 0.12 0.00 0.00 0.00 175.10 175.61 1poz s PHE 34 N 1.46 3.10 -0.29 5.22 5.36 -0.09 -0.61 117.98 132.13 1poz s PHE 34 Ca 0.05 -1.29 -0.29 0.00 -0.96 0.00 0.00 56.93 54.44 1poz s PHE 34 Cb -0.14 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.41 1poz s PHE 34 CO -0.04 -0.66 1.07 -1.58 -1.46 0.00 0.00 175.22 172.55 1poz s HIS 35 N 1.40 3.20 0.14 10.12 5.65 -0.98 -2.91 115.29 131.92 1poz s HIS 35 Ca 0.01 1.28 0.06 0.00 0.25 0.00 0.00 55.06 56.67 1poz s HIS 35 Cb -0.17 -3.56 -0.04 0.00 -1.18 0.00 0.00 32.58 27.64 1poz s HIS 35 CO -0.01 -0.70 0.01 0.54 -0.65 0.00 0.00 174.74 173.93 1poz s VAL 36 N 3.52 3.87 0.39 0.89 0.11 0.27 -0.87 120.40 128.57 1poz s VAL 36 Ca 0.45 -1.25 -0.15 0.00 -2.93 0.00 0.00 61.98 58.11 1poz s VAL 36 Cb -0.13 -2.91 0.06 0.00 -1.53 0.00 0.00 36.38 31.87 1poz s VAL 36 CO 0.12 -0.03 0.78 -1.84 -3.33 0.00 0.00 175.10 170.81 1poz n GLU 37 N 0.11 1.12 -3.61 1.54 0.28 0.11 -1.31 120.64 118.88 1poz n GLU 37 Ca -0.10 -2.19 -0.16 0.00 -0.16 0.00 0.00 57.16 54.54 1poz n GLU 37 Cb 0.54 2.74 -0.05 0.00 1.43 0.00 0.00 31.44 36.10 1poz n GLU 37 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1poz n LYS 38 N -0.53 0.61 0.00 3.44 4.81 -1.26 -1.00 118.16 124.23 1poz n LYS 38 Ca -0.09 -2.34 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 1poz n LYS 38 Cb 0.59 1.40 0.00 0.00 0.02 0.00 0.00 35.03 37.03 1poz n LYS 38 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1poz n ASN 39 N -1.78 0.00 -0.11 3.14 4.05 -0.46 -1.26 115.26 118.84 1poz n ASN 39 Ca -0.02 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.91 1poz n ASN 39 Cb 0.42 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.46 1poz n ASN 39 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1poz h GLY 40 N 0.00 0.94 -4.23 8.20 0.00 -1.87 -3.47 103.07 102.64 1poz h GLY 40 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 1poz h GLY 40 CO 0.00 0.78 -0.61 -0.96 0.00 0.00 0.00 176.54 175.75 1poz n ARG 41 N -4.09 -0.69 -0.20 4.80 1.85 -0.39 0.21 116.66 118.15 1poz n ARG 41 Ca -0.01 0.62 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 1poz n ARG 41 Cb 0.48 -0.85 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 1poz n ARG 41 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1poz n TYR 42 N 0.30 0.00 -2.21 2.89 4.01 -1.26 -4.81 117.16 116.09 1poz n TYR 42 Ca -0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.76 1poz n TYR 42 Cb 0.33 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.44 1poz n TYR 42 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1poz n SER 43 N 0.00 1.25 -4.80 7.72 7.64 0.13 -1.84 113.62 123.72 1poz n SER 43 Ca 0.00 -2.63 -0.37 0.00 1.01 0.00 0.00 58.87 56.88 1poz n SER 43 Cb 0.00 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 1poz n SER 43 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1poz s ILE 44 N -1.10 5.25 0.56 0.44 1.01 -0.94 -4.54 121.20 121.89 1poz s ILE 44 Ca 0.35 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.63 1poz s ILE 44 Cb 0.38 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 39.30 1poz s ILE 44 CO -0.14 0.51 0.78 -0.94 0.00 0.00 0.00 174.94 175.16 1poz s SER 45 N -0.43 5.11 0.53 3.58 1.04 -1.26 -3.05 113.70 119.22 1poz s SER 45 Ca 0.19 -0.34 0.31 0.00 0.48 0.00 0.00 55.95 56.59 1poz s SER 45 Cb -0.14 -0.40 1.34 0.00 0.10 0.00 0.00 66.02 66.91 1poz s SER 45 CO 0.07 -1.26 1.98 -0.09 0.98 0.00 0.00 173.24 174.92 1poz h ARG 46 N 0.08 0.00 0.09 4.02 2.43 -1.95 -2.77 114.38 116.27 1poz h ARG 46 Ca -0.38 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1poz h ARG 46 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1poz h ARG 46 CO 0.46 0.07 -0.04 1.79 -1.51 0.00 0.00 179.97 180.73 1poz h THR 47 N 0.00 0.00 0.02 0.20 1.35 -1.98 0.28 112.91 112.78 1poz h THR 47 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1poz h THR 47 Cb 0.52 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1poz h THR 47 CO 0.01 0.00 -0.02 -0.33 -0.25 0.00 0.00 175.52 174.92 1poz h GLU 48 N -0.12 -0.05 0.00 4.72 4.39 -1.88 -1.33 114.58 120.30 1poz h GLU 48 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1poz h GLU 48 Cb 0.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1poz h GLU 48 CO 0.02 -0.03 0.00 0.00 -1.16 0.00 0.00 179.01 177.83 1poz n ALA 49 N -2.14 -0.17 -0.36 3.43 0.00 -1.05 -1.87 120.51 118.35 1poz n ALA 49 Ca -0.07 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.64 1poz n ALA 49 Cb 0.06 0.21 0.56 0.00 0.00 0.00 0.00 19.45 20.28 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz h ALA 50 N -1.65 2.40 -2.62 0.00 0.00 -0.99 0.18 119.26 116.57 1poz h ALA 50 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1poz h ALA 50 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1poz h ALA 50 CO 0.00 -0.88 0.00 -0.25 0.00 0.00 0.00 179.25 178.12 1poz n ASP 51 N -4.65 0.00 -0.25 0.00 8.00 -0.50 -1.12 116.55 118.02 1poz n ASP 51 Ca 0.29 0.56 -0.01 0.00 0.71 0.00 0.00 54.79 56.35 1poz n ASP 51 Cb 1.06 -0.06 0.20 0.00 -0.02 0.00 0.00 41.12 42.29 1poz n ASP 51 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1poz h LEU 52 N 0.00 0.94 -0.59 0.64 8.10 -1.27 -1.21 115.31 121.92 1poz h LEU 52 Ca 0.00 -0.05 0.08 0.00 0.11 0.00 0.00 57.88 58.03 1poz h LEU 52 Cb 0.00 -0.24 -0.10 0.00 -0.44 0.00 0.00 40.66 39.88 1poz h LEU 52 CO 0.00 0.71 -0.47 0.00 -4.11 0.00 0.00 178.44 174.58 1poz h LYS 54 N -0.24 0.00 -0.92 0.00 1.57 -0.85 -3.13 116.57 113.00 1poz h LYS 54 Ca 0.16 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.11 1poz h LYS 54 Cb 0.56 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.77 1poz h LYS 54 CO -0.70 0.03 0.52 0.00 -0.57 0.00 0.00 179.45 178.73 1poz h ALA 55 N 1.97 1.46 -0.88 3.86 0.00 0.19 0.42 119.26 126.27 1poz h ALA 55 Ca -0.00 0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.36 1poz h ALA 55 Cb 0.65 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.14 1poz h ALA 55 CO 0.00 -0.06 0.81 1.97 0.00 0.00 0.00 179.25 181.97 1poz n PHE 56 N -4.82 2.79 -3.67 0.00 -1.74 -1.01 0.19 117.46 109.20 1poz n PHE 56 Ca 0.20 -2.64 -0.29 0.00 -0.56 0.00 0.00 57.45 54.16 1poz n PHE 56 Cb 0.49 -1.32 0.03 0.00 1.52 0.00 0.00 39.48 40.21 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 -0.51 -5.42 -4.56 5.98 3.02 0.14 -4.54 115.26 109.37 1poz n ASN 57 Ca 0.55 -0.95 -0.24 0.00 -0.03 0.00 0.00 54.58 53.91 1poz n ASN 57 Cb 0.55 -3.19 -0.09 0.00 -0.61 0.00 0.00 39.78 36.45 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 -3.36 4.10 0.30 6.41 0.15 -1.20 -2.44 113.70 117.67 1poz s SER 58 Ca 0.37 -0.76 0.10 0.00 0.70 0.00 0.00 55.95 56.36 1poz s SER 58 Cb -0.14 -0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 63.51 1poz s SER 58 CO 0.87 0.05 -0.04 -0.89 1.20 0.00 0.00 173.24 174.42 1poz s THR 59 N -2.18 2.86 -0.20 6.45 2.01 -0.35 -4.46 115.64 119.77 1poz s THR 59 Ca 0.29 -2.05 0.21 0.00 0.31 0.00 0.00 61.69 60.45 1poz s THR 59 Cb -0.07 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1poz s THR 59 CO 0.17 -0.30 0.99 0.17 -0.69 0.00 0.00 174.62 174.95 1poz h LEU 60 N 1.93 0.00 -1.34 4.42 8.10 -1.89 -2.93 115.31 123.60 1poz h LEU 60 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.56 1poz h LEU 60 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1poz h LEU 60 CO 0.63 0.16 0.00 -0.81 -4.11 0.00 0.00 178.44 174.31 1poz n PRO 61 N -2.74 0.01 0.00 0.17 -0.04 -1.26 -3.63 135.00 127.51 1poz n PRO 61 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1poz n PRO 61 Cb 0.63 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1poz n PRO 61 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1poz n THR 62 N 0.66 0.08 0.40 0.52 -2.24 -1.26 -1.93 114.28 110.51 1poz n THR 62 Ca 0.00 0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 1poz n THR 62 Cb 0.00 -1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 67.08 1poz n THR 62 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1poz h MET 63 N 0.00 -0.97 0.00 -0.78 -1.53 -1.90 1.13 114.93 110.88 1poz h MET 63 Ca 0.00 0.07 -0.14 0.00 -3.44 0.00 0.00 59.70 56.19 1poz h MET 63 Cb 0.08 0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 1poz h MET 63 CO 0.00 -0.64 -0.97 0.00 0.14 0.00 0.00 176.91 175.44 1poz h ALA 64 N -0.74 0.64 -0.13 0.39 0.00 -1.78 -2.85 119.26 114.79 1poz h ALA 64 Ca -0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.06 1poz h ALA 64 Cb 0.78 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1poz h ALA 64 CO 0.16 0.78 -0.33 1.96 0.00 0.00 0.00 179.25 181.82 1poz h GLN 65 N 0.00 0.26 0.08 0.00 4.20 -1.42 -2.64 115.11 115.60 1poz h GLN 65 Ca -0.08 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 1poz h GLN 65 Cb 1.49 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.27 1poz h GLN 65 CO 0.06 0.57 -0.65 0.52 -0.67 0.00 0.00 178.83 178.66 1poz h MET 66 N 0.23 0.17 -0.60 1.46 2.86 0.13 -2.81 114.93 116.37 1poz h MET 66 Ca 0.03 -0.30 0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1poz h MET 66 Cb 0.70 0.11 -0.12 0.00 0.06 0.00 0.00 31.60 32.35 1poz h MET 66 CO 0.05 1.14 -0.23 0.93 1.06 0.00 0.00 176.91 179.86 1poz h GLU 67 N -0.61 -0.08 0.42 1.72 5.08 -1.47 1.48 114.58 121.11 1poz h GLU 67 Ca -0.13 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1poz h GLU 67 Cb 1.42 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1poz h GLU 67 CO 0.07 -0.05 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.60 1poz h LYS 68 N -0.08 -0.54 0.00 2.33 3.64 -1.60 -0.10 116.57 120.22 1poz h LYS 68 Ca 0.27 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1poz h LYS 68 Cb 0.51 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1poz h LYS 68 CO -0.65 -0.31 0.11 0.00 -2.27 0.00 0.00 179.45 176.33 1poz h ALA 69 N -0.10 1.09 0.19 5.00 0.00 -0.91 0.14 119.26 124.67 1poz h ALA 69 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1poz h ALA 69 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1poz h ALA 69 CO 0.09 -0.09 -1.71 -0.07 0.00 0.00 0.00 179.25 177.47 1poz h LEU 70 N 0.00 0.64 0.00 0.00 4.07 0.34 -2.71 115.31 117.65 1poz h LEU 70 Ca 0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.02 1poz h LEU 70 Cb 0.22 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1poz h LEU 70 CO 0.00 1.78 0.00 -1.20 -1.08 0.00 0.00 178.44 177.94 1poz n SER 71 N -3.62 0.00 -0.70 -0.43 7.64 -0.08 -2.77 113.62 113.65 1poz n SER 71 Ca -0.24 0.02 0.12 0.00 1.01 0.00 0.00 58.87 59.78 1poz n SER 71 Cb 1.07 -0.33 0.16 0.00 -1.01 0.00 0.00 64.21 64.10 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 -1.33 0.00 -0.74 0.44 -6.64 -0.52 -4.98 119.36 105.58 1poz n ILE 72 Ca 0.12 -0.37 0.00 0.00 -1.77 0.00 0.00 62.75 60.73 1poz n ILE 72 Cb 0.25 1.19 0.00 0.00 -1.44 0.00 0.00 39.64 39.64 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 1.34 0.44 3.28 3.28 0.00 -1.12 -4.97 105.19 107.44 1poz n GLY 73 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.50 -0.67 0.09 1.61 2.19 -1.02 -5.01 117.98 112.67 1poz s PHE 74 Ca 0.00 1.38 -0.26 0.00 0.33 0.00 0.00 56.93 58.38 1poz s PHE 74 Cb 0.00 0.29 0.07 0.00 -1.31 0.00 0.00 43.02 42.07 1poz s PHE 74 CO 0.00 -0.39 0.62 -2.00 1.83 0.00 0.00 175.22 175.29 1poz s GLU 75 N 1.76 1.20 -0.00 10.12 2.12 -1.26 -4.40 118.70 128.24 1poz s GLU 75 Ca -0.07 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.04 1poz s GLU 75 Cb -0.09 0.56 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 1poz s GLU 75 CO -0.13 -0.48 0.02 0.25 -0.54 0.00 0.00 175.26 174.38 1poz n THR 76 N 0.06 0.00 -1.34 -1.70 -2.24 -1.26 -4.99 114.28 102.81 1poz n THR 76 Ca -0.18 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 1poz n THR 76 Cb 0.62 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 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 -3.03 1.20 -0.41 0.00 0.52 -1.26 -4.90 118.95 111.07 1poz s ARG 78 Ca 0.00 -0.43 -0.39 0.00 -0.52 0.00 0.00 55.73 54.39 1poz s ARG 78 Cb 0.00 -1.10 -0.15 0.00 0.52 0.00 0.00 34.95 34.22 1poz s ARG 78 CO 0.00 0.19 2.14 0.66 0.02 0.00 0.00 175.30 178.32 1poz n TYR 79 N 3.10 1.45 -5.13 -0.53 4.01 -1.26 -4.81 117.16 113.99 1poz n TYR 79 Ca -0.17 0.49 -0.29 0.00 -0.16 0.00 0.00 57.90 57.77 1poz n TYR 79 Cb 0.54 -2.43 -0.16 0.00 -0.31 0.00 0.00 39.34 36.98 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 6.58 1.16 0.30 2.72 0.00 -0.04 -1.70 107.32 116.33 1poz s GLY 80 Ca 1.13 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 44.62 1poz s GLY 80 CO 0.57 -0.63 1.25 0.33 0.00 0.00 0.00 173.10 174.62 1poz n PHE 81 N 2.87 1.98 -1.18 1.90 -0.00 -0.47 -2.20 117.46 120.37 1poz n PHE 81 Ca -0.17 0.56 0.00 0.00 -0.00 0.00 0.00 57.45 57.84 1poz n PHE 81 Cb 0.52 -2.38 0.00 0.00 -0.00 0.00 0.00 39.48 37.62 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 0.75 0.00 0.00 -2.13 0.13 0.10 -1.89 119.36 116.32 1poz n ILE 82 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.73 1poz n ILE 82 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.13 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 0.00 0.00 9.51 0.28 -1.24 -4.11 120.64 125.09 1poz n GLU 83 Ca 0.00 0.27 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1poz n GLU 83 Cb 0.00 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.31 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 -1.24 0.00 2.03 -1.84 0.00 -1.26 -4.78 105.19 98.10 1poz n GLY 84 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1poz n GLY 84 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1poz n HIS 85 N 0.00 -1.73 -2.88 1.61 -0.00 -1.26 -5.12 115.22 105.84 1poz n HIS 85 Ca 0.00 -1.00 -0.43 0.00 -0.00 0.00 0.00 57.72 56.29 1poz n HIS 85 Cb 0.00 0.50 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 1poz n HIS 85 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1poz s VAL 86 N -2.51 4.55 0.37 3.57 1.01 -1.26 0.00 120.40 126.13 1poz s VAL 86 Ca 0.09 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1poz s VAL 86 Cb -0.03 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1poz s VAL 86 CO 0.06 -0.77 0.07 0.54 0.00 0.00 0.00 175.10 175.01 1poz s VAL 87 N 3.55 1.04 -0.22 2.92 0.11 -0.93 -2.40 120.40 124.46 1poz s VAL 87 Ca 0.34 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.29 1poz s VAL 87 Cb -0.11 -2.62 0.08 0.00 -1.53 0.00 0.00 36.38 32.21 1poz s VAL 87 CO 0.24 0.00 0.52 -0.63 -3.33 0.00 0.00 175.10 171.90 1poz s ILE 88 N -3.21 -0.30 0.49 7.04 -1.09 0.19 -0.86 121.20 123.45 1poz s ILE 88 Ca 0.30 0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.58 1poz s ILE 88 Cb 0.06 -0.78 -0.07 0.00 -1.58 0.00 0.00 42.46 40.09 1poz s ILE 88 CO 0.14 0.03 1.10 -2.16 -1.23 0.00 0.00 174.94 172.82 1poz s PRO 89 N 1.96 3.66 0.00 2.79 0.04 -1.24 -2.24 135.00 139.97 1poz s PRO 89 Ca -0.07 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1poz s PRO 89 Cb -0.09 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1poz s PRO 89 CO -0.16 -0.58 0.00 -2.13 0.04 0.00 0.00 177.00 174.17 1poz n ARG 90 N -0.89 0.00 0.00 4.56 0.00 -1.25 -4.67 116.66 114.41 1poz n ARG 90 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1poz n ARG 90 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1poz n ARG 90 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1poz n ILE 91 N 0.00 0.00 -2.60 5.15 5.41 -1.26 -3.90 119.36 122.16 1poz n ILE 91 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 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 -0.51 0.00 1.39 1.44 -1.26 -0.45 115.22 115.83 1poz n HIS 92 Ca 0.00 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.11 1poz n HIS 92 Cb 0.00 1.00 0.00 0.00 0.12 0.00 0.00 29.99 31.11 1poz n HIS 92 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1poz n PRO 93 N -0.44 0.00 -0.28 -1.40 -0.04 -1.25 -4.87 135.00 126.72 1poz n PRO 93 Ca -0.15 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1poz n PRO 93 Cb 0.62 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1poz n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1poz n ASN 94 N -1.50 0.00 -2.81 3.54 6.94 -1.26 -5.07 115.26 115.10 1poz n ASN 94 Ca 0.00 -1.00 -0.05 0.00 -0.02 0.00 0.00 54.58 53.51 1poz n ASN 94 Cb 0.00 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1poz n ASN 94 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1poz n SER 95 N 0.00 -7.98 -0.00 0.53 2.88 -1.26 -4.97 113.62 102.82 1poz n SER 95 Ca 0.00 0.90 0.07 0.00 -1.33 0.00 0.00 58.87 58.50 1poz n SER 95 Cb 0.50 -5.33 -0.09 0.00 -0.75 0.00 0.00 64.21 58.54 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 0.12 0.00 0.00 2.46 3.06 -1.26 -4.63 119.36 119.10 1poz n ILE 96 Ca 0.07 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 1poz n ILE 96 Cb 0.28 0.66 0.00 0.00 0.54 0.00 0.00 39.64 41.12 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 -2.18 0.00 0.02 0.00 0.00 -1.26 -5.05 120.51 112.04 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 -3.00 0.00 -1.00 0.00 0.00 -1.26 -5.08 120.51 110.17 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 -2.52 0.00 -0.76 0.00 4.05 -1.26 -4.81 115.26 109.95 1poz n ASN 100 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1poz n ASN 100 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1poz n ASN 100 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1poz n ASN 101 N 0.00 0.00 -0.82 1.20 6.94 -1.26 -4.61 115.26 116.71 1poz n ASN 101 Ca 0.00 -0.76 0.04 0.00 -0.02 0.00 0.00 54.58 53.84 1poz n ASN 101 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1poz n ASN 101 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1poz n THR 102 N 0.00 0.00 -0.46 5.53 -2.24 -1.26 -4.35 114.28 111.50 1poz n THR 102 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1poz n THR 102 Cb 0.00 -0.11 0.17 0.00 -2.10 0.00 0.00 70.33 68.29 1poz n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1poz n GLY 103 N -0.95 3.31 2.31 3.38 0.00 0.41 -3.87 105.19 109.78 1poz n GLY 103 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 1poz n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1poz n VAL 104 N -0.04 2.25 -2.08 1.61 3.14 -1.22 -3.60 118.33 118.38 1poz n VAL 104 Ca 0.13 -4.29 -0.42 0.00 -2.96 0.00 0.00 64.34 56.80 1poz n VAL 104 Cb 0.56 -0.84 -0.03 0.00 -1.06 0.00 0.00 33.84 32.47 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1poz s TYR 105 N -3.56 2.38 0.18 1.45 5.04 -0.95 -4.70 117.35 117.19 1poz s TYR 105 Ca 0.46 0.45 0.08 0.00 -2.44 0.00 0.00 57.07 55.62 1poz s TYR 105 Cb 0.40 -3.83 -0.04 0.00 0.35 0.00 0.00 41.96 38.84 1poz s TYR 105 CO -0.05 -3.32 -0.03 0.42 -1.34 0.00 0.00 175.55 171.23 1poz s ILE 106 N 3.23 3.52 0.55 3.14 1.01 -1.24 0.54 121.20 131.95 1poz s ILE 106 Ca 0.70 -1.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1poz s ILE 106 Cb -0.33 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1poz s ILE 106 CO 0.28 -0.14 0.91 -0.22 0.00 0.00 0.00 174.94 175.78 1poz s LEU 107 N -2.97 3.44 0.00 2.97 0.20 -1.01 -4.97 118.68 116.33 1poz s LEU 107 Ca 0.27 1.20 0.00 0.00 0.69 0.00 0.00 54.13 56.29 1poz s LEU 107 Cb -0.09 -4.20 0.00 0.00 -0.43 0.00 0.00 46.19 41.47 1poz s LEU 107 CO 0.18 -0.71 0.00 0.41 -0.29 0.00 0.00 176.35 175.93 1poz n THR 108 N -2.44 0.00 -4.13 3.68 -1.04 -1.26 -4.92 114.28 104.18 1poz n THR 108 Ca 0.04 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.68 1poz n THR 108 Cb 0.54 0.31 -0.08 0.00 -1.82 0.00 0.00 70.33 69.28 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 -0.07 5.69 0.45 8.00 0.01 -1.26 -5.09 113.70 121.43 1poz s SER 109 Ca 0.00 0.23 -0.24 0.00 1.31 0.00 0.00 55.95 57.26 1poz s SER 109 Cb 0.00 -1.78 -0.08 0.00 0.21 0.00 0.00 66.02 64.38 1poz s SER 109 CO 0.00 0.34 1.20 0.20 0.41 0.00 0.00 173.24 175.39 1poz s ASN 110 N -0.64 6.19 0.00 2.44 -0.87 -1.26 -4.89 114.94 115.90 1poz s ASN 110 Ca 0.11 2.40 0.00 0.00 -1.57 0.00 0.00 52.86 53.80 1poz s ASN 110 Cb -0.12 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 1poz s ASN 110 CO 0.02 -0.91 0.00 1.07 -2.57 0.00 0.00 177.10 174.71 1poz n THR 111 N -0.33 0.00 0.00 1.60 5.66 -1.26 -5.15 114.28 114.81 1poz n THR 111 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1poz n THR 111 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1poz n THR 111 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1poz n SER 112 N -2.14 0.00 0.00 1.09 7.64 -1.26 -5.18 113.62 113.76 1poz n SER 112 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1poz n SER 112 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1poz n SER 112 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1poz n GLN 113 N 0.00 0.00 -0.58 1.43 -0.06 -0.77 -5.01 117.38 112.39 1poz n GLN 113 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1poz n GLN 113 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 1poz n TYR 114 N 0.00 -0.05 -0.50 3.69 4.11 -1.06 -4.15 117.16 119.19 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 -0.05 0.00 -3.57 9.48 8.00 -0.69 -2.20 116.55 127.52 1poz n ASP 115 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1poz n ASP 115 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.61 0.01 0.15 -3.53 -1.32 -0.43 -1.36 115.64 109.77 1poz s THR 116 Ca 0.00 -0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.47 1poz s THR 116 Cb 0.00 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1poz s THR 116 CO 0.00 -0.05 -0.10 -0.31 -2.21 0.00 0.00 174.62 171.95 1poz s TYR 117 N -1.21 2.67 -0.28 9.09 1.51 -0.79 -0.57 117.35 127.77 1poz s TYR 117 Ca -0.11 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.60 1poz s TYR 117 Cb -0.01 -1.34 0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1poz s TYR 117 CO 0.09 0.48 0.70 0.00 -1.11 0.00 0.00 175.55 175.71 1poz s PHE 119 N 1.88 3.13 -0.18 0.00 2.19 -1.11 -0.91 117.98 122.98 1poz s PHE 119 Ca -0.09 -0.19 -0.09 0.00 0.33 0.00 0.00 56.93 56.89 1poz s PHE 119 Cb -0.06 -3.06 -0.05 0.00 -1.31 0.00 0.00 43.02 38.54 1poz s PHE 119 CO -0.19 -0.74 0.13 0.54 1.83 0.00 0.00 175.22 176.78 1poz s ASN 120 N 1.87 6.22 0.60 6.13 2.20 -0.59 -1.21 114.94 130.16 1poz s ASN 120 Ca 0.17 0.27 0.37 0.00 -0.94 0.00 0.00 52.86 52.73 1poz s ASN 120 Cb -0.16 -2.08 1.90 0.00 -2.00 0.00 0.00 41.25 38.91 1poz s ASN 120 CO 0.16 0.23 2.20 0.00 -2.94 0.00 0.00 177.10 176.74 1poz h ALA 121 N 6.33 1.09 0.00 3.54 0.00 -1.73 -0.54 119.26 127.96 1poz h ALA 121 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1poz h ALA 121 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1poz h ALA 121 CO 0.72 0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.77 1poz h SER 122 N 0.00 0.00 -3.22 0.00 0.02 -1.80 -3.43 113.55 105.13 1poz h SER 122 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1poz h SER 122 Cb 0.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1poz h SER 122 CO 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.63 1poz s ALA 123 N -3.59 3.59 0.21 3.77 0.00 -0.21 -5.03 121.76 120.49 1poz s ALA 123 Ca 0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 51.96 51.63 1poz s ALA 123 Cb 0.09 -2.61 -0.13 0.00 0.00 0.00 0.00 23.12 20.47 1poz s ALA 123 CO 0.42 0.36 1.58 -2.30 0.00 0.00 0.00 175.76 175.83 1poz n PRO 124 N 1.96 2.37 -1.59 0.00 -0.02 -1.26 -4.47 135.00 131.99 1poz n PRO 124 Ca -0.10 0.85 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 1poz n PRO 124 Cb 0.51 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.07 1.89 0.00 0.52 -0.02 -1.25 -1.56 135.00 137.64 1poz n PRO 125 Ca 0.14 -2.24 0.00 0.00 -2.02 0.00 0.00 63.50 59.38 1poz n PRO 125 Cb 0.32 -3.22 0.00 0.00 -0.02 0.00 0.00 33.50 30.58 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 7.30 0.00 0.00 -0.52 2.13 -1.05 -4.90 120.64 123.59 1poz n GLU 126 Ca 0.49 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1poz n GLU 126 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1poz n GLU 126 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1poz n GLU 127 N 0.00 0.00 -3.63 5.31 0.28 -1.24 -0.17 120.64 121.19 1poz n GLU 127 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1poz n GLU 127 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1poz n GLU 127 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1poz s ASP 128 N 0.00 -0.74 -0.08 -1.84 2.15 -0.64 -4.75 116.67 110.77 1poz s ASP 128 Ca 0.00 1.27 0.16 0.00 0.43 0.00 0.00 52.55 54.41 1poz s ASP 128 Cb 0.00 1.86 0.55 0.00 -0.30 0.00 0.00 42.92 45.03 1poz s ASP 128 CO 0.00 -0.23 1.46 0.00 -0.17 0.00 0.00 175.17 176.23 1poz n THR 130 N 0.63 0.00 -2.08 0.00 -2.24 -1.26 -4.78 114.28 104.54 1poz n THR 130 Ca 0.20 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1poz n THR 130 Cb 0.72 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1poz n THR 130 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1poz s SER 131 N -1.54 6.02 0.00 3.42 1.04 -1.26 -4.88 113.70 116.50 1poz s SER 131 Ca 0.49 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1poz s SER 131 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1poz s SER 131 CO 0.73 -1.62 0.26 0.52 0.98 0.00 0.00 173.24 174.11 1poz n VAL 132 N 7.31 0.00 -0.46 5.02 0.31 -1.26 -4.69 118.33 124.55 1poz n VAL 132 Ca 0.21 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.30 1poz n VAL 132 Cb 0.47 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1poz n THR 133 N -0.31 0.00 0.00 2.52 5.66 -1.26 -4.80 114.28 116.09 1poz n THR 133 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1poz n THR 133 Cb 0.00 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 1poz n THR 133 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1poz n ASP 134 N 1.03 0.00 -3.23 1.09 8.00 -1.26 -4.79 116.55 117.39 1poz n ASP 134 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1poz n ASP 134 Cb 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.93 0.00 0.64 4.77 -1.26 -4.87 117.00 113.35 1poz n LEU 135 Ca 0.00 -0.38 0.09 0.00 -0.03 0.00 0.00 56.01 55.69 1poz n LEU 135 Cb 0.00 -3.00 0.52 0.00 -2.33 0.00 0.00 43.42 38.61 1poz n LEU 135 CO 0.00 0.38 0.77 -0.81 -1.33 0.00 0.00 177.39 176.40 1poz n PRO 136 N -4.38 0.44 0.06 3.23 -0.04 -0.91 -2.83 135.00 130.57 1poz n PRO 136 Ca -0.07 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1poz n PRO 136 Cb 0.60 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.73 1poz n PRO 136 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1poz n ASN 137 N -1.14 0.70 -2.95 3.54 5.03 0.50 -4.91 115.26 116.03 1poz n ASN 137 Ca 0.12 0.12 -0.00 0.00 0.87 0.00 0.00 54.58 55.69 1poz n ASN 137 Cb 0.10 0.17 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1poz n ALA 138 N -1.83 -0.08 -2.59 5.41 0.00 -1.13 -4.83 120.51 115.46 1poz n ALA 138 Ca 0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1poz n ALA 138 Cb 0.44 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.02 2.64 0.26 0.00 -0.71 -1.19 -4.90 117.98 113.06 1poz s PHE 139 Ca 0.01 -0.30 -0.30 0.00 -1.04 0.00 0.00 56.93 55.30 1poz s PHE 139 Cb -0.00 -1.32 -0.14 0.00 -1.21 0.00 0.00 43.02 40.35 1poz s PHE 139 CO 0.01 0.55 1.21 -0.25 -1.34 0.00 0.00 175.22 175.40 1poz n ASP 140 N -0.93 1.98 0.00 1.98 9.92 -1.26 -0.76 116.55 127.47 1poz n ASP 140 Ca -0.05 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 1poz n ASP 140 Cb 0.60 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1poz n ASP 140 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1poz n GLY 141 N 1.61 2.42 0.48 0.44 0.00 -1.23 -4.51 105.19 104.40 1poz n GLY 141 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.21 0.44 -2.21 1.61 -0.02 -1.25 -1.78 135.00 131.58 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 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1poz n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1poz s ILE 143 N -1.05 3.89 -0.93 4.25 1.01 -0.78 -4.73 121.20 122.86 1poz s ILE 143 Ca 0.00 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.50 1poz s ILE 143 Cb 0.00 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.82 1poz s ILE 143 CO 0.00 -0.16 1.23 -0.89 0.00 0.00 0.00 174.94 175.12 1poz s THR 144 N 4.10 4.37 -0.12 2.92 2.01 -0.61 -0.77 115.64 127.54 1poz s THR 144 Ca 0.65 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 1poz s THR 144 Cb -0.26 -4.88 -0.03 0.00 0.01 0.00 0.00 72.50 67.34 1poz s THR 144 CO 0.24 -1.67 0.65 -0.63 -0.69 0.00 0.00 174.62 172.52 1poz s ILE 145 N 3.73 5.05 -0.20 1.82 1.01 0.20 -1.71 121.20 131.09 1poz s ILE 145 Ca 0.37 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 62.27 1poz s ILE 145 Cb -0.04 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1poz s ILE 145 CO -0.07 0.21 -0.03 -0.89 0.00 0.00 0.00 174.94 174.15 1poz s THR 146 N 1.19 3.62 -0.56 2.92 2.01 -0.94 0.97 115.64 124.85 1poz s THR 146 Ca 0.33 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 1poz s THR 146 Cb -0.17 -2.63 0.10 0.00 0.01 0.00 0.00 72.50 69.82 1poz s THR 146 CO 0.14 0.44 0.63 0.27 -0.69 0.00 0.00 174.62 175.41 1poz s ILE 147 N 1.09 4.94 -0.60 1.82 -0.00 -0.50 -0.03 121.20 127.92 1poz s ILE 147 Ca 0.02 -1.04 -0.23 0.00 -0.00 0.00 0.00 60.65 59.39 1poz s ILE 147 Cb -0.15 -4.41 0.06 0.00 -0.00 0.00 0.00 42.46 37.96 1poz s ILE 147 CO 0.00 -0.99 0.92 -0.69 -0.00 0.00 0.00 174.94 174.18 1poz s VAL 148 N 2.37 4.41 0.36 8.37 1.01 -0.92 -2.38 120.40 133.62 1poz s VAL 148 Ca 0.10 -0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1poz s VAL 148 Cb -0.25 -4.59 -0.10 0.00 0.00 0.00 0.00 36.38 31.44 1poz s VAL 148 CO 0.06 -1.27 0.95 0.20 0.00 0.00 0.00 175.10 175.05 1poz s ASN 149 N 3.28 7.21 0.63 3.32 0.02 0.01 0.52 114.94 129.92 1poz s ASN 149 Ca 0.24 1.79 0.26 0.00 -1.02 0.00 0.00 52.86 54.13 1poz s ASN 149 Cb -0.16 -2.57 1.40 0.00 0.02 0.00 0.00 41.25 39.95 1poz s ASN 149 CO 0.14 -0.17 1.78 0.03 0.02 0.00 0.00 177.10 178.90 1poz h ARG 150 N 2.77 0.00 -1.00 -0.60 2.47 -0.29 0.02 114.38 117.74 1poz h ARG 150 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 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 0.64 0.00 0.00 -3.47 0.56 0.00 0.00 179.97 177.70 1poz n ASP 151 N -2.76 2.15 -2.60 7.04 -0.08 -1.26 -4.77 116.55 114.27 1poz n ASP 151 Ca -0.02 -1.97 -0.21 0.00 -1.51 0.00 0.00 54.79 51.08 1poz n ASP 151 Cb 0.42 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.39 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 0.30 -0.51 3.72 0.27 0.00 -0.04 -4.99 105.19 103.95 1poz n GLY 152 Ca 0.00 0.04 -0.25 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 -3.06 3.98 -0.16 2.61 -4.23 -1.01 -4.96 115.64 108.80 1poz s THR 153 Ca 0.10 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1poz s THR 153 Cb -0.04 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.83 1poz s THR 153 CO 0.12 -0.19 0.28 0.00 -0.54 0.00 0.00 174.62 174.29 1poz s ARG 154 N -3.23 0.19 0.35 3.99 1.70 -1.26 -0.81 118.95 119.88 1poz s ARG 154 Ca 0.30 0.66 0.08 0.00 -0.47 0.00 0.00 55.73 56.30 1poz s ARG 154 Cb -0.09 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.00 1poz s ARG 154 CO 0.21 -0.38 0.11 0.71 -1.08 0.00 0.00 175.30 174.87 1poz s TYR 155 N 2.43 2.65 0.13 5.89 2.02 -1.00 -4.93 117.35 124.55 1poz s TYR 155 Ca 0.03 -0.42 0.10 0.00 -0.37 0.00 0.00 57.07 56.40 1poz s TYR 155 Cb -0.13 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1poz s TYR 155 CO -0.10 0.36 -0.20 0.14 -1.57 0.00 0.00 175.55 174.18 1poz s VAL 156 N -2.47 2.71 0.12 0.71 -7.23 -1.26 -1.42 120.40 111.56 1poz s VAL 156 Ca 0.37 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.81 1poz s VAL 156 Cb -0.01 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1poz s VAL 156 CO 0.22 0.07 0.32 -1.58 -0.31 0.00 0.00 175.10 173.82 1poz s GLN 157 N -2.20 1.01 -0.26 4.82 -0.44 0.27 -4.92 119.66 117.95 1poz s GLN 157 Ca 0.18 -0.84 -0.01 0.00 -2.50 0.00 0.00 55.36 52.19 1poz s GLN 157 Cb -0.10 0.42 0.08 0.00 -1.64 0.00 0.00 33.01 31.77 1poz s GLN 157 CO 0.10 -0.37 0.04 0.15 0.50 0.00 0.00 175.29 175.70 1poz s LYS 158 N -3.84 0.94 0.00 1.67 1.02 -1.24 0.58 119.74 118.87 1poz s LYS 158 Ca 0.05 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1poz s LYS 158 Cb 0.03 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1poz s LYS 158 CO -0.10 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 1poz n GLY 159 N 4.84 4.25 3.27 -3.33 0.00 0.05 -4.72 105.19 109.56 1poz n GLY 159 Ca -0.06 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 4.93 0.36 0.00 1.61 0.41 0.06 -1.86 118.70 124.21 1poz s GLU 160 Ca 0.00 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.47 1poz s GLU 160 Cb 0.00 0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.49 1poz s GLU 160 CO 0.00 -0.20 0.00 0.66 -0.49 0.00 0.00 175.26 175.23 1poz n TYR 161 N 4.78 -0.27 -2.65 1.61 4.02 -1.26 -3.17 117.16 120.22 1poz n TYR 161 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.31 1poz n TYR 161 Cb 0.53 0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 40.12 1poz n TYR 161 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1poz s ARG 162 N -1.59 3.63 -0.06 -0.72 3.52 -1.26 -4.83 118.95 117.63 1poz s ARG 162 Ca 0.00 -1.35 -0.02 0.00 -0.13 0.00 0.00 55.73 54.22 1poz s ARG 162 Cb 0.00 -5.26 -0.05 0.00 -1.56 0.00 0.00 34.95 28.07 1poz s ARG 162 CO 0.00 -2.10 2.54 0.25 -0.81 0.00 0.00 175.30 175.18 1poz n THR 163 N 6.49 2.47 -3.86 4.11 -2.24 -1.26 -4.68 114.28 115.31 1poz n THR 163 Ca 0.32 -1.08 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 1poz n THR 163 Cb 0.50 -1.64 -0.14 0.00 -2.10 0.00 0.00 70.33 66.95 1poz n THR 163 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1poz s ASN 164 N 1.69 4.16 0.28 3.42 3.84 -1.26 -4.96 114.94 122.12 1poz s ASN 164 Ca 0.27 -2.48 0.17 0.00 0.21 0.00 0.00 52.86 51.03 1poz s ASN 164 Cb 0.15 -1.32 0.91 0.00 -0.55 0.00 0.00 41.25 40.44 1poz s ASN 164 CO -0.01 -0.31 1.48 -2.65 -2.79 0.00 0.00 177.10 172.82 1poz n PRO 165 N 3.78 0.11 0.16 0.43 -0.02 -1.26 -1.25 135.00 136.96 1poz n PRO 165 Ca 0.05 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1poz n PRO 165 Cb 0.37 -1.94 0.30 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.03 0.00 -0.52 4.81 -1.93 -2.39 114.58 114.59 1poz h GLU 166 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1poz h GLU 166 Cb 0.16 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1poz h GLU 166 CO 0.00 0.45 0.00 -3.47 -0.73 0.00 0.00 179.01 175.26 1poz n ASP 167 N -4.03 0.16 -0.02 1.04 2.03 -0.38 -2.83 116.55 112.53 1poz n ASP 167 Ca -0.02 0.56 -0.02 0.00 0.52 0.00 0.00 54.79 55.83 1poz n ASP 167 Cb 0.46 -0.59 -0.01 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.70 0.51 -3.82 5.18 5.41 -0.92 -4.90 119.36 119.12 1poz n ILE 168 Ca 0.01 0.31 -0.32 0.00 1.00 0.00 0.00 62.75 63.76 1poz n ILE 168 Cb 0.06 -1.65 -0.11 0.00 -0.71 0.00 0.00 39.64 37.23 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 -1.59 3.55 0.40 1.39 -0.85 -1.07 -5.09 117.35 114.09 1poz s TYR 169 Ca -0.08 -3.15 -0.24 0.00 -0.52 0.00 0.00 57.07 53.08 1poz s TYR 169 Cb 0.01 -2.93 -0.12 0.00 0.38 0.00 0.00 41.96 39.30 1poz s TYR 169 CO 0.11 -0.67 0.87 -2.30 -1.52 0.00 0.00 175.55 172.04 1poz n PRO 170 N 2.49 1.09 -1.82 -3.49 -0.02 -1.13 -4.70 135.00 127.42 1poz n PRO 170 Ca 0.16 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 1poz n PRO 170 Cb 0.35 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 1poz n PRO 170 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1poz s SER 171 N -0.79 6.38 -0.31 2.55 1.04 -1.26 -4.99 113.70 116.31 1poz s SER 171 Ca 0.63 3.01 -0.06 0.00 0.48 0.00 0.00 55.95 60.01 1poz s SER 171 Cb -0.59 -2.66 0.03 0.00 0.10 0.00 0.00 66.02 62.90 1poz s SER 171 CO 0.57 -0.86 0.07 0.20 0.98 0.00 0.00 173.24 174.21 1poz s ASN 172 N -0.03 5.14 0.25 7.02 0.01 -1.26 -5.08 114.94 121.00 1poz s ASN 172 Ca 0.55 -1.00 -0.31 0.00 -0.71 0.00 0.00 52.86 51.39 1poz s ASN 172 Cb -0.46 -1.84 -0.13 0.00 0.41 0.00 0.00 41.25 39.22 1poz s ASN 172 CO 0.59 -0.26 1.43 -2.65 -1.51 0.00 0.00 177.10 174.70 1poz n PRO 173 N 4.80 2.14 -1.43 -0.60 -0.02 -1.26 -4.97 135.00 133.66 1poz n PRO 173 Ca -0.13 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1poz n PRO 173 Cb 0.46 -2.44 0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1poz n PRO 173 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1poz s THR 174 N -0.09 3.66 0.07 3.45 2.01 -1.26 -5.01 115.64 118.46 1poz s THR 174 Ca 0.67 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 63.22 1poz s THR 174 Cb -0.62 -3.15 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1poz s THR 174 CO 0.50 -0.69 -0.01 -0.67 -0.69 0.00 0.00 174.62 173.06 1poz n ASP 175 N -3.28 0.85 0.10 3.53 -0.08 -1.26 -5.07 116.55 111.35 1poz n ASP 175 Ca 0.08 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1poz n ASP 175 Cb 0.53 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1poz n ASP 176 N -3.39 -1.57 -1.57 1.67 8.00 -1.26 -5.02 116.55 113.42 1poz n ASP 176 Ca -0.00 0.38 -0.19 0.00 0.71 0.00 0.00 54.79 55.68 1poz n ASP 176 Cb 0.14 1.70 -0.08 0.00 -0.02 0.00 0.00 41.12 42.86 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1poz n ASP 177 N -2.93 -5.05 0.00 -2.24 -0.08 -1.26 -5.34 116.55 99.65 1poz n ASP 177 Ca 0.00 0.47 0.11 0.00 -1.51 0.00 0.00 54.79 53.85 1poz n ASP 177 Cb 0.00 -4.49 0.63 0.00 2.34 0.00 0.00 41.12 39.59 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84