#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 0.79 -0.11 0.00 1.03 -1.26 -3.97 119.66 116.14 1poz s GLN 21 Ca 0.00 0.16 -0.05 0.00 0.04 0.00 0.00 55.36 55.51 1poz s GLN 21 Cb 0.00 0.37 0.05 0.00 0.03 0.00 0.00 33.01 33.47 1poz s GLN 21 CO 0.00 -0.25 0.23 0.42 -2.54 0.00 0.00 175.29 173.15 1poz s ILE 22 N -1.26 -0.18 -0.12 3.63 1.09 -1.10 -4.95 121.20 118.31 1poz s ILE 22 Ca -0.05 0.21 -0.11 0.00 -1.10 0.00 0.00 60.65 59.61 1poz s ILE 22 Cb -0.00 -0.38 -0.05 0.00 -1.06 0.00 0.00 42.46 40.97 1poz s ILE 22 CO 0.04 0.09 0.22 -1.81 -0.10 0.00 0.00 174.94 173.39 1poz s ASP 23 N 1.72 6.45 0.36 3.58 1.11 -1.26 -2.45 116.67 126.17 1poz s ASP 23 Ca -0.05 0.53 0.07 0.00 0.18 0.00 0.00 52.55 53.29 1poz s ASP 23 Cb -0.11 -2.13 -0.02 0.00 1.07 0.00 0.00 42.92 41.72 1poz s ASP 23 CO -0.08 0.28 0.33 -0.76 1.18 0.00 0.00 175.17 176.12 1poz s LEU 24 N -0.47 3.56 -0.28 1.23 1.02 0.27 -1.51 118.68 122.50 1poz s LEU 24 Ca 0.16 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.76 1poz s LEU 24 Cb -0.13 -2.20 0.14 0.00 0.02 0.00 0.00 46.19 44.03 1poz s LEU 24 CO 0.05 -0.44 0.34 0.21 0.02 0.00 0.00 176.35 176.52 1poz s ASN 25 N -4.04 1.10 0.31 2.29 2.47 -0.95 -0.32 114.94 115.79 1poz s ASN 25 Ca 0.43 -0.52 0.10 0.00 0.42 0.00 0.00 52.86 53.29 1poz s ASN 25 Cb -0.05 0.76 -0.05 0.00 -1.45 0.00 0.00 41.25 40.45 1poz s ASN 25 CO 0.27 -0.37 -0.07 0.27 -3.72 0.00 0.00 177.10 173.49 1poz s ILE 26 N 2.44 2.69 -0.07 -5.21 -4.36 0.26 0.14 121.20 117.10 1poz s ILE 26 Ca 0.10 -2.12 0.13 0.00 -0.26 0.00 0.00 60.65 58.50 1poz s ILE 26 Cb -0.14 -2.64 -0.23 0.00 1.25 0.00 0.00 42.46 40.71 1poz s ILE 26 CO -0.30 -0.29 0.59 0.41 0.24 0.00 0.00 174.94 175.59 1poz n THR 27 N -0.82 1.57 0.00 8.37 -1.04 0.30 -0.01 114.28 122.65 1poz n THR 27 Ca -0.05 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1poz n THR 27 Cb 0.61 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.93 3.29 0.06 0.00 3.52 -0.55 -2.27 118.95 121.07 1poz s ARG 29 Ca 0.00 -3.02 -0.28 0.00 -0.13 0.00 0.00 55.73 52.30 1poz s ARG 29 Cb 0.00 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1poz s ARG 29 CO 0.00 -1.24 0.88 -0.06 -0.81 0.00 0.00 175.30 174.07 1poz s PHE 30 N -0.89 3.74 -0.36 5.12 0.40 0.20 0.03 117.98 126.23 1poz s PHE 30 Ca 0.25 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 58.21 1poz s PHE 30 Cb -0.11 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.45 1poz s PHE 30 CO -0.09 0.18 0.00 0.00 0.70 0.00 0.00 175.22 176.01 1poz n ALA 31 N 3.06 -0.05 0.00 5.36 0.00 0.20 0.45 120.51 129.53 1poz n ALA 31 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1poz n ALA 31 Cb 0.50 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.59 0.79 3.36 0.00 0.00 -0.77 -2.43 105.19 106.73 1poz n GLY 32 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 3.75 -0.21 1.61 1.01 0.17 0.72 120.40 125.44 1poz s VAL 33 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1poz s VAL 33 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1poz s VAL 33 CO 0.00 0.37 -0.10 0.12 0.00 0.00 0.00 175.10 175.50 1poz s PHE 34 N 1.53 2.93 -0.15 5.22 5.36 -0.55 0.61 117.98 132.93 1poz s PHE 34 Ca 0.06 -1.31 -0.29 0.00 -0.96 0.00 0.00 56.93 54.43 1poz s PHE 34 Cb -0.15 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1poz s PHE 34 CO -0.00 -0.67 0.99 -1.58 -1.46 0.00 0.00 175.22 172.49 1poz s HIS 35 N 1.38 3.45 0.22 10.12 5.65 -0.96 -2.59 115.29 132.56 1poz s HIS 35 Ca 0.04 1.51 0.07 0.00 0.25 0.00 0.00 55.06 56.93 1poz s HIS 35 Cb -0.14 -3.18 -0.04 0.00 -1.18 0.00 0.00 32.58 28.03 1poz s HIS 35 CO -0.07 -0.30 0.12 0.54 -0.65 0.00 0.00 174.74 174.39 1poz s VAL 36 N 2.36 4.19 0.17 0.89 0.11 0.68 -0.54 120.40 128.26 1poz s VAL 36 Ca 0.46 -1.40 -0.05 0.00 -2.93 0.00 0.00 61.98 58.05 1poz s VAL 36 Cb -0.17 -3.21 -0.02 0.00 -1.53 0.00 0.00 36.38 31.45 1poz s VAL 36 CO 0.14 -0.26 0.20 -1.61 -3.33 0.00 0.00 175.10 170.25 1poz s GLU 37 N -3.49 1.14 -0.46 1.54 2.02 0.38 -2.66 118.70 117.17 1poz s GLU 37 Ca 0.31 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1poz s GLU 37 Cb -0.08 0.32 0.12 0.00 0.10 0.00 0.00 34.13 34.59 1poz s GLU 37 CO 0.23 -0.39 0.22 0.21 0.02 0.00 0.00 175.26 175.54 1poz s LYS 38 N -4.04 1.95 -0.47 1.61 2.20 -1.25 -2.24 119.74 117.50 1poz s LYS 38 Ca 0.24 -2.19 -0.04 0.00 -0.36 0.00 0.00 55.97 53.62 1poz s LYS 38 Cb 0.05 -3.43 -0.16 0.00 -1.51 0.00 0.00 37.83 32.78 1poz s LYS 38 CO 0.04 -1.06 1.06 -1.71 -0.36 0.00 0.00 175.35 173.32 1poz n ASN 39 N 3.88 -0.79 0.00 1.43 2.85 -0.57 -0.89 115.26 121.17 1poz n ASN 39 Ca 0.04 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.18 1poz n ASN 39 Cb 0.38 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.13 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 2.81 0.62 3.49 8.20 0.00 -1.26 -4.81 105.19 114.24 1poz n GLY 40 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.76 0.56 1.61 1.04 -0.07 -5.00 118.95 118.85 1poz s ARG 41 Ca 0.00 -2.00 0.37 0.00 -1.04 0.00 0.00 55.73 53.06 1poz s ARG 41 Cb 0.00 -0.95 1.89 0.00 -2.04 0.00 0.00 34.95 33.85 1poz s ARG 41 CO 0.00 -0.23 2.12 -0.92 -0.04 0.00 0.00 175.30 176.24 1poz h TYR 42 N 1.99 0.00 0.00 5.89 5.03 -1.89 -3.42 116.97 124.57 1poz h TYR 42 Ca -0.40 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.91 1poz h TYR 42 Cb 1.25 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1poz h TYR 42 CO 0.78 0.00 0.00 0.43 -1.32 0.00 0.00 178.16 178.05 1poz n SER 43 N -2.88 0.00 0.00 -2.11 7.64 -1.25 -4.68 113.62 110.33 1poz n SER 43 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1poz n SER 43 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1poz n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n ILE 44 N 0.00 0.00 -4.37 0.44 3.06 0.70 -3.79 119.36 115.40 1poz n ILE 44 Ca 0.00 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.07 1poz n ILE 44 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 1poz n ILE 44 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1poz n SER 45 N 0.00 2.73 0.00 9.51 7.64 -1.26 -2.49 113.62 129.75 1poz n SER 45 Ca 0.00 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1poz n SER 45 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1poz n SER 45 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1poz n ARG 46 N -0.73 0.00 0.15 1.43 1.74 -1.26 -2.74 116.66 115.24 1poz n ARG 46 Ca -0.11 0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 57.33 1poz n ARG 46 Cb 0.35 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.56 1poz n ARG 46 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1poz h THR 47 N 0.00 0.66 -0.23 0.55 1.35 -1.99 -2.66 112.91 110.59 1poz h THR 47 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 1poz h THR 47 Cb 0.00 0.66 -0.06 0.00 -1.73 0.00 0.00 68.15 67.01 1poz h THR 47 CO 0.00 0.00 -0.48 -0.08 -0.25 0.00 0.00 175.52 174.71 1poz h GLU 48 N -0.37 -0.42 -0.06 4.72 4.57 -1.93 -1.47 114.58 119.62 1poz h GLU 48 Ca -0.01 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1poz h GLU 48 Cb 0.33 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1poz h GLU 48 CO -0.01 -0.28 -0.10 0.00 -1.18 0.00 0.00 179.01 177.45 1poz h ALA 49 N -0.34 -0.40 -1.00 2.92 0.00 -1.48 -0.84 119.26 118.12 1poz h ALA 49 Ca 0.04 -0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.34 1poz h ALA 49 Cb 0.56 0.76 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 1poz h ALA 49 CO -0.44 -0.45 0.43 0.00 0.00 0.00 0.00 179.25 178.79 1poz n ALA 50 N -2.75 0.92 -0.06 0.00 0.00 -1.01 0.56 120.51 118.17 1poz n ALA 50 Ca -0.01 1.03 -0.08 0.00 0.00 0.00 0.00 53.44 54.38 1poz n ALA 50 Cb 0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1poz n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1poz h ASP 51 N 0.00 0.02 0.16 0.00 5.19 -0.06 -1.19 116.42 120.54 1poz h ASP 51 Ca 0.80 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 57.24 1poz h ASP 51 Cb 2.04 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.60 1poz h ASP 51 CO -0.80 0.04 -0.08 -0.07 -3.12 0.00 0.00 179.24 175.21 1poz h LEU 52 N 0.15 -0.18 -1.48 1.55 3.38 0.52 0.39 115.31 119.64 1poz h LEU 52 Ca 0.11 -0.34 0.13 0.00 0.09 0.00 0.00 57.88 57.87 1poz h LEU 52 Cb 0.11 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1poz h LEU 52 CO -0.15 0.30 0.71 0.00 0.09 0.00 0.00 178.44 179.39 1poz n LYS 54 N -3.25 0.67 -0.25 0.00 2.85 -0.45 -1.16 118.16 116.57 1poz n LYS 54 Ca 0.09 0.29 0.05 0.00 -1.05 0.00 0.00 58.31 57.69 1poz n LYS 54 Cb 0.87 -1.77 0.16 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.70 0.79 -1.85 0.58 0.00 0.57 -2.29 119.26 117.77 1poz h ALA 55 Ca -0.33 0.23 -0.73 0.00 0.00 0.00 0.00 54.91 54.09 1poz h ALA 55 Cb 2.02 0.40 -0.33 0.00 0.00 0.00 0.00 17.79 19.88 1poz h ALA 55 CO 0.08 -0.42 0.32 1.97 0.00 0.00 0.00 179.25 181.20 1poz n PHE 56 N -5.33 3.01 -2.60 0.00 -1.74 -1.05 -0.34 117.46 109.41 1poz n PHE 56 Ca 0.13 -3.15 0.00 0.00 -0.56 0.00 0.00 57.45 53.87 1poz n PHE 56 Cb 0.47 -0.96 0.00 0.00 1.52 0.00 0.00 39.48 40.51 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 0.54 0.00 -4.27 5.98 6.94 -0.86 -4.58 115.26 119.01 1poz n ASN 57 Ca 0.34 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.72 1poz n ASN 57 Cb 0.34 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.65 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1poz s SER 58 N -2.26 2.17 0.27 0.53 0.01 -0.30 -2.79 113.70 111.33 1poz s SER 58 Ca 0.00 -0.88 0.11 0.00 1.31 0.00 0.00 55.95 56.49 1poz s SER 58 Cb 0.00 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1poz s SER 58 CO 0.00 -0.16 -0.19 0.42 0.41 0.00 0.00 173.24 173.72 1poz s THR 59 N -2.44 2.37 0.08 1.44 -4.23 -1.03 -4.30 115.64 107.52 1poz s THR 59 Ca 0.13 -2.37 -0.37 0.00 -1.18 0.00 0.00 61.69 57.91 1poz s THR 59 Cb -0.03 -2.28 -0.18 0.00 1.34 0.00 0.00 72.50 71.35 1poz s THR 59 CO 0.04 -0.42 1.16 0.18 -0.54 0.00 0.00 174.62 175.04 1poz n LEU 60 N -0.60 0.84 -4.62 4.79 4.77 -1.26 -2.59 117.00 118.34 1poz n LEU 60 Ca -0.05 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.64 1poz n LEU 60 Cb 0.60 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 1poz n LEU 60 CO 0.38 -1.53 1.72 -2.16 -1.33 0.00 0.00 177.39 174.46 1poz s PRO 61 N 0.04 3.43 0.00 3.23 0.04 -1.26 -4.61 135.00 135.88 1poz s PRO 61 Ca 0.83 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1poz s PRO 61 Cb -1.05 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1poz s PRO 61 CO 0.52 -1.75 0.00 0.25 0.04 0.00 0.00 177.00 176.06 1poz n THR 62 N 7.11 0.00 0.24 1.26 -2.24 -1.26 0.11 114.28 119.49 1poz n THR 62 Ca 0.26 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 1poz n THR 62 Cb 0.44 -1.26 0.46 0.00 -2.10 0.00 0.00 70.33 67.87 1poz n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz h MET 63 N 0.00 0.00 0.00 -0.78 -0.00 -1.98 -2.17 114.93 109.99 1poz h MET 63 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1poz h MET 63 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1poz h MET 63 CO 0.00 0.12 -0.43 0.00 -0.00 0.00 0.00 176.91 176.59 1poz h ALA 64 N 1.88 0.07 -0.59 -3.00 0.00 -1.98 -2.50 119.26 113.14 1poz h ALA 64 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1poz h ALA 64 Cb 0.75 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1poz h ALA 64 CO 0.02 0.29 0.39 1.96 0.00 0.00 0.00 179.25 181.90 1poz h GLN 65 N -1.00 0.73 0.15 0.00 4.20 -1.94 0.64 115.11 117.88 1poz h GLN 65 Ca -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1poz h GLN 65 Cb 0.75 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1poz h GLN 65 CO -0.06 0.48 -0.07 0.52 -0.67 0.00 0.00 178.83 179.04 1poz h MET 66 N 0.75 -0.19 -0.64 1.46 2.86 -1.55 -2.60 114.93 115.03 1poz h MET 66 Ca 0.23 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.98 1poz h MET 66 Cb -0.00 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 1poz h MET 66 CO -0.06 0.08 0.25 0.93 1.06 0.00 0.00 176.91 179.18 1poz h GLU 67 N -1.00 0.43 -0.03 1.72 5.08 -1.39 0.33 114.58 119.72 1poz h GLU 67 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1poz h GLU 67 Cb 0.36 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1poz h GLU 67 CO 0.03 0.29 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.04 1poz h LYS 68 N 0.44 -0.11 0.00 2.33 3.11 -0.99 0.64 116.57 122.00 1poz h LYS 68 Ca 0.32 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.16 1poz h LYS 68 Cb 0.39 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1poz h LYS 68 CO -0.31 -0.07 -0.03 0.00 -2.81 0.00 0.00 179.45 176.23 1poz h ALA 69 N 0.91 1.17 0.13 5.00 0.00 -0.87 -1.09 119.26 124.50 1poz h ALA 69 Ca 0.04 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1poz h ALA 69 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1poz h ALA 69 CO -0.10 0.04 -1.61 -0.07 0.00 0.00 0.00 179.25 177.51 1poz h LEU 70 N 0.00 0.42 -0.26 0.00 4.07 0.18 -0.78 115.31 118.94 1poz h LEU 70 Ca -0.00 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1poz h LEU 70 Cb 0.16 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1poz h LEU 70 CO 0.00 1.52 -0.02 -0.24 -1.08 0.00 0.00 178.44 178.62 1poz n SER 71 N -3.46 0.42 -0.26 -0.43 2.88 0.20 -3.14 113.62 109.83 1poz n SER 71 Ca -0.19 -0.96 0.06 0.00 -1.33 0.00 0.00 58.87 56.45 1poz n SER 71 Cb 1.05 -0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 64.47 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1poz n ILE 72 N -0.75 0.00 -0.02 2.46 -6.64 -0.47 -5.01 119.36 108.92 1poz n ILE 72 Ca 0.20 -0.36 0.00 0.00 -1.77 0.00 0.00 62.75 60.82 1poz n ILE 72 Cb 0.21 1.14 0.00 0.00 -1.44 0.00 0.00 39.64 39.54 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 1.01 0.85 3.36 3.28 0.00 -1.19 -4.98 105.19 107.53 1poz n GLY 73 Ca 0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.01 -0.76 -0.16 1.61 5.36 -0.30 -4.99 117.98 116.73 1poz s PHE 74 Ca 0.00 1.54 -0.30 0.00 -0.96 0.00 0.00 56.93 57.21 1poz s PHE 74 Cb 0.00 0.37 0.12 0.00 -0.34 0.00 0.00 43.02 43.17 1poz s PHE 74 CO 0.00 -0.41 0.94 -2.00 -1.46 0.00 0.00 175.22 172.29 1poz s GLU 75 N 1.68 0.67 -0.02 10.12 2.12 -1.26 -4.11 118.70 127.89 1poz s GLU 75 Ca -0.08 0.23 0.05 0.00 0.36 0.00 0.00 54.97 55.53 1poz s GLU 75 Cb -0.08 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 1poz s GLU 75 CO -0.15 -0.20 -0.18 0.95 -0.54 0.00 0.00 175.26 175.15 1poz s THR 76 N -0.95 1.40 0.00 -1.70 -4.23 -1.26 -5.01 115.64 103.89 1poz s THR 76 Ca -0.03 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1poz s THR 76 Cb -0.01 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1poz s THR 76 CO 0.02 0.40 1.45 0.00 -0.54 0.00 0.00 174.62 175.95 1poz s ARG 78 N 0.11 1.43 -1.10 0.00 0.52 -1.26 -4.97 118.95 113.68 1poz s ARG 78 Ca 0.00 -1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 53.24 1poz s ARG 78 Cb 0.00 -0.05 0.10 0.00 0.52 0.00 0.00 34.95 35.52 1poz s ARG 78 CO 0.00 -0.38 1.42 0.71 0.02 0.00 0.00 175.30 177.07 1poz s TYR 79 N -3.80 2.94 -0.11 -0.53 2.02 -1.26 -4.68 117.35 111.92 1poz s TYR 79 Ca 0.38 -1.43 -0.30 0.00 -0.37 0.00 0.00 57.07 55.35 1poz s TYR 79 Cb 0.06 -4.52 -0.01 0.00 -0.40 0.00 0.00 41.96 37.09 1poz s TYR 79 CO 0.15 -1.68 1.02 0.20 -1.57 0.00 0.00 175.55 173.67 1poz s GLY 80 N 4.01 2.30 0.50 0.71 0.00 0.13 0.45 107.32 115.42 1poz s GLY 80 Ca 0.44 0.38 -0.23 0.00 0.00 0.00 0.00 44.72 45.30 1poz s GLY 80 CO -0.04 1.95 1.34 0.69 0.00 0.00 0.00 173.10 177.05 1poz n PHE 81 N 5.10 2.31 -2.12 1.90 3.72 0.20 -0.41 117.46 128.16 1poz n PHE 81 Ca 0.09 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1poz n PHE 81 Cb 0.48 -2.38 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1poz n ILE 82 N -0.72 0.00 0.00 4.37 0.13 0.11 -2.57 119.36 120.68 1poz n ILE 82 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.74 1poz n ILE 82 Cb 0.43 -0.53 0.00 0.00 -0.84 0.00 0.00 39.64 38.70 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 0.30 -3.76 120.64 126.97 1poz n GLU 83 Ca 0.00 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1poz n GLU 83 Cb 0.00 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.26 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 -1.09 0.00 3.64 -1.84 0.00 -1.26 -4.88 105.19 99.75 1poz n GLY 84 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1poz n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1poz s HIS 85 N 0.00 -0.68 -0.13 1.61 3.76 -1.25 -5.12 115.29 113.48 1poz s HIS 85 Ca 0.00 1.50 -0.34 0.00 -0.15 0.00 0.00 55.06 56.06 1poz s HIS 85 Cb 0.00 0.39 -0.11 0.00 1.11 0.00 0.00 32.58 33.97 1poz s HIS 85 CO 0.00 -0.33 1.93 1.55 -0.85 0.00 0.00 174.74 177.04 1poz n VAL 86 N 3.10 0.53 -4.33 -0.90 3.14 -1.26 0.08 118.33 118.69 1poz n VAL 86 Ca -0.16 -0.14 -0.17 0.00 -2.96 0.00 0.00 64.34 60.91 1poz n VAL 86 Cb 0.57 -1.88 -0.10 0.00 -1.06 0.00 0.00 33.84 31.37 1poz n VAL 86 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1poz s VAL 87 N 4.65 0.73 -0.03 1.55 -7.23 0.45 -2.55 120.40 117.98 1poz s VAL 87 Ca 0.95 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1poz s VAL 87 Cb -0.70 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 33.71 1poz s VAL 87 CO 0.51 -0.12 0.06 -0.63 -0.31 0.00 0.00 175.10 174.61 1poz s ILE 88 N -3.63 -0.03 1.01 -0.62 1.01 0.74 0.17 121.20 119.85 1poz s ILE 88 Ca 0.34 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.92 1poz s ILE 88 Cb 0.07 -0.10 0.25 0.00 0.01 0.00 0.00 42.46 42.70 1poz s ILE 88 CO 0.12 0.04 0.57 -2.65 0.00 0.00 0.00 174.94 173.02 1poz n PRO 89 N 3.58 -3.65 0.00 2.79 -0.02 -1.26 -2.07 135.00 134.37 1poz n PRO 89 Ca -0.19 -0.97 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 1poz n PRO 89 Cb 0.56 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1poz n PRO 89 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1poz n ARG 90 N -4.24 0.00 0.27 -0.52 3.00 -1.26 -4.14 116.66 109.77 1poz n ARG 90 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.04 1poz n ARG 90 Cb 0.40 0.00 0.54 0.00 0.00 0.00 0.00 32.46 33.40 1poz n ARG 90 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1poz h ILE 91 N 0.00 0.00 -2.75 5.15 2.10 -1.90 -3.43 117.51 116.68 1poz h ILE 91 Ca 0.00 0.00 -0.59 0.00 1.08 0.00 0.00 64.86 65.35 1poz h ILE 91 Cb 0.00 0.44 0.14 0.00 -1.09 0.00 0.00 36.82 36.31 1poz h ILE 91 CO 0.00 0.00 -0.07 1.57 -1.08 0.00 0.00 178.15 178.57 1poz n HIS 92 N -2.51 0.50 -0.03 2.19 -0.00 -1.26 -4.89 115.22 109.22 1poz n HIS 92 Ca -0.01 0.58 -0.06 0.00 0.46 0.00 0.00 57.72 58.69 1poz n HIS 92 Cb 0.43 -2.13 0.13 0.00 -0.12 0.00 0.00 29.99 28.30 1poz n HIS 92 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1poz h PRO 93 N 1.21 0.63 -0.39 1.57 0.13 -2.02 -3.38 132.00 129.75 1poz h PRO 93 Ca -0.43 -0.27 -0.29 0.00 -0.87 0.00 0.00 66.00 64.15 1poz h PRO 93 Cb 1.36 -0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.27 1poz h PRO 93 CO 0.55 0.84 -0.59 -1.71 -0.23 0.00 0.00 178.00 176.86 1poz n ASN 94 N -4.09 -1.66 0.39 1.44 5.15 -1.26 -5.01 115.26 110.22 1poz n ASN 94 Ca -0.01 -3.47 -0.15 0.00 -0.60 0.00 0.00 54.58 50.35 1poz n ASN 94 Cb 0.45 1.35 -0.07 0.00 -0.53 0.00 0.00 39.78 40.98 1poz n ASN 94 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1poz h SER 95 N 2.93 -0.85 -0.64 1.20 4.64 -1.91 -3.45 113.55 115.46 1poz h SER 95 Ca -0.08 0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.06 1poz h SER 95 Cb 1.09 0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 1poz h SER 95 CO 0.19 -0.51 -0.19 -0.38 -0.87 0.00 0.00 176.83 175.07 1poz n ILE 96 N -5.27 0.00 0.00 0.95 5.41 -1.26 -4.87 119.36 114.32 1poz n ILE 96 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1poz n ILE 96 Cb 0.40 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 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 -2.00 0.65 -2.85 0.00 0.00 -1.93 -3.51 119.26 109.63 1poz h ALA 98 Ca 0.00 -0.46 0.16 0.00 0.00 0.00 0.00 54.91 54.61 1poz h ALA 98 Cb 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1poz h ALA 98 CO 0.00 0.53 -0.91 0.00 0.00 0.00 0.00 179.25 178.86 1poz n ALA 99 N -2.27 -2.43 -1.56 0.00 0.00 -1.26 -4.76 120.51 108.22 1poz n ALA 99 Ca -0.03 0.60 -0.19 0.00 0.00 0.00 0.00 53.44 53.81 1poz n ALA 99 Cb 0.71 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.24 -5.16 -4.50 0.00 4.13 -1.26 -4.95 115.26 100.28 1poz n ASN 100 Ca -0.04 0.48 -0.29 0.00 1.68 0.00 0.00 54.58 56.40 1poz n ASN 100 Cb 0.48 -4.57 0.16 0.00 -1.54 0.00 0.00 39.78 34.31 1poz n ASN 100 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1poz s ASN 101 N -2.65 3.05 0.00 6.41 0.01 -1.26 -4.95 114.94 115.55 1poz s ASN 101 Ca 0.00 0.76 0.00 0.00 -0.71 0.00 0.00 52.86 52.91 1poz s ASN 101 Cb 0.00 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.48 1poz s ASN 101 CO 0.00 -2.82 0.03 0.41 -1.51 0.00 0.00 177.10 173.21 1poz n THR 102 N -3.91 0.00 0.00 1.60 -1.04 -1.26 -4.93 114.28 104.74 1poz n THR 102 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1poz n THR 102 Cb 0.59 0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1poz n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1poz n GLY 103 N 0.00 2.33 1.75 3.41 0.00 -1.23 -4.79 105.19 106.66 1poz n GLY 103 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1poz n GLY 103 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1poz n VAL 104 N -0.30 0.25 -1.52 1.61 0.24 -1.15 -4.22 118.33 113.24 1poz n VAL 104 Ca 0.00 -1.30 -0.49 0.00 -2.04 0.00 0.00 64.34 60.51 1poz n VAL 104 Cb 0.00 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 1poz n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1poz n TYR 105 N 0.20 1.79 -2.83 6.34 9.36 -0.88 -4.42 117.16 126.73 1poz n TYR 105 Ca 0.03 0.17 -0.32 0.00 3.32 0.00 0.00 57.90 61.10 1poz n TYR 105 Cb 1.04 -2.59 -0.05 0.00 -0.63 0.00 0.00 39.34 37.11 1poz n TYR 105 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1poz s ILE 106 N 6.90 4.58 0.52 2.97 -1.09 -1.24 -0.18 121.20 133.65 1poz s ILE 106 Ca 1.05 1.12 -0.20 0.00 -2.23 0.00 0.00 60.65 60.39 1poz s ILE 106 Cb -0.74 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 36.42 1poz s ILE 106 CO 0.48 -0.40 1.09 -0.22 -1.23 0.00 0.00 174.94 174.65 1poz s LEU 107 N -3.43 3.77 -0.42 2.97 0.20 -1.06 -4.96 118.68 115.75 1poz s LEU 107 Ca 0.57 2.05 0.09 0.00 0.69 0.00 0.00 54.13 57.53 1poz s LEU 107 Cb -0.10 -4.57 0.32 0.00 -0.43 0.00 0.00 46.19 41.41 1poz s LEU 107 CO 0.21 -1.04 0.89 0.35 -0.29 0.00 0.00 176.35 176.48 1poz n THR 108 N -1.21 -0.13 -0.77 3.68 -2.24 -1.26 -5.04 114.28 107.31 1poz n THR 108 Ca 0.10 -2.93 0.00 0.00 -2.27 0.00 0.00 64.05 58.95 1poz n THR 108 Cb 0.52 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1poz n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1poz n SER 109 N 0.54 1.34 -0.00 3.42 2.88 -1.26 -5.04 113.62 115.49 1poz n SER 109 Ca 0.15 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1poz n SER 109 Cb 0.66 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.99 1poz n SER 109 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1poz n ASN 110 N 0.00 0.74 -4.56 -3.46 3.02 -1.26 -4.94 115.26 104.80 1poz n ASN 110 Ca 0.00 -0.72 -0.48 0.00 -0.03 0.00 0.00 54.58 53.35 1poz n ASN 110 Cb 0.00 1.27 -0.05 0.00 -0.61 0.00 0.00 39.78 40.38 1poz n ASN 110 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1poz n THR 111 N -1.70 0.35 1.10 3.41 -1.04 -1.26 -4.81 114.28 110.33 1poz n THR 111 Ca 0.02 -0.27 0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1poz n THR 111 Cb 0.39 -1.98 0.16 0.00 -1.82 0.00 0.00 70.33 67.08 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 9.40 2.35 -4.44 8.00 2.88 -1.26 -4.94 113.62 125.62 1poz n SER 112 Ca 0.32 -1.71 -0.23 0.00 -1.33 0.00 0.00 58.87 55.92 1poz n SER 112 Cb 0.31 0.14 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.17 1.58 -0.02 -1.46 1.11 -1.26 -5.02 119.66 112.43 1poz s GLN 113 Ca 0.27 -1.70 -0.29 0.00 0.01 0.00 0.00 55.36 53.65 1poz s GLN 113 Cb 0.20 -1.63 0.10 0.00 -1.01 0.00 0.00 33.01 30.66 1poz s GLN 113 CO 0.39 0.31 1.29 1.52 0.01 0.00 0.00 175.29 178.81 1poz s TYR 114 N -2.50 0.01 0.82 0.91 -0.85 -1.04 -4.84 117.35 109.87 1poz s TYR 114 Ca 0.27 -0.12 -0.11 0.00 -0.52 0.00 0.00 57.07 56.59 1poz s TYR 114 Cb -0.05 0.55 0.18 0.00 0.38 0.00 0.00 41.96 43.03 1poz s TYR 114 CO 0.13 -0.25 1.11 -0.40 -1.52 0.00 0.00 175.55 174.61 1poz n ASP 115 N -0.97 0.43 -3.71 -0.18 5.75 0.17 0.25 116.55 118.29 1poz n ASP 115 Ca 0.02 -1.61 -0.11 0.00 -0.01 0.00 0.00 54.79 53.07 1poz n ASP 115 Cb 0.59 -0.82 -0.11 0.00 -1.03 0.00 0.00 41.12 39.75 1poz n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1poz s THR 116 N -3.37 -0.03 0.39 2.12 2.01 -1.09 0.60 115.64 116.28 1poz s THR 116 Ca 0.65 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.77 1poz s THR 116 Cb -0.02 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1poz s THR 116 CO 0.45 0.04 0.58 -0.31 -0.69 0.00 0.00 174.62 174.69 1poz s TYR 117 N 1.20 3.26 -0.30 4.92 2.02 -1.06 -0.23 117.35 127.15 1poz s TYR 117 Ca -0.08 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 1poz s TYR 117 Cb -0.08 -2.11 0.19 0.00 -0.40 0.00 0.00 41.96 39.56 1poz s TYR 117 CO -0.10 -0.14 0.67 0.00 -1.57 0.00 0.00 175.55 174.41 1poz s PHE 119 N 2.87 2.52 -0.08 0.00 2.19 -1.07 -1.48 117.98 122.93 1poz s PHE 119 Ca 0.16 0.30 -0.14 0.00 0.33 0.00 0.00 56.93 57.58 1poz s PHE 119 Cb -0.12 -4.55 -0.05 0.00 -1.31 0.00 0.00 43.02 36.99 1poz s PHE 119 CO -0.21 -1.71 0.34 1.21 1.83 0.00 0.00 175.22 176.68 1poz s ASN 120 N 3.16 6.61 0.40 6.13 2.47 0.22 -2.47 114.94 131.46 1poz s ASN 120 Ca 0.41 0.73 0.21 0.00 0.42 0.00 0.00 52.86 54.63 1poz s ASN 120 Cb -0.08 -2.21 0.67 0.00 -1.45 0.00 0.00 41.25 38.18 1poz s ASN 120 CO 0.23 0.22 1.72 0.00 -3.72 0.00 0.00 177.10 175.54 1poz h ALA 121 N 5.67 0.94 -0.96 1.71 0.00 -1.76 -3.22 119.26 121.65 1poz h ALA 121 Ca -0.47 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 54.41 1poz h ALA 121 Cb 1.20 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1poz h ALA 121 CO 0.68 0.36 0.51 1.03 0.00 0.00 0.00 179.25 181.83 1poz h SER 122 N 0.00 0.54 -3.27 0.00 0.87 -1.85 -3.41 113.55 106.43 1poz h SER 122 Ca -0.00 0.14 -0.49 0.00 -1.23 0.00 0.00 61.79 60.21 1poz h SER 122 Cb 0.92 0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1poz h SER 122 CO 0.04 0.07 -0.01 0.00 -0.53 0.00 0.00 176.83 176.40 1poz s ALA 123 N -5.82 3.52 0.45 6.23 0.00 -1.22 -5.06 121.76 119.85 1poz s ALA 123 Ca -0.11 -0.66 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1poz s ALA 123 Cb 0.26 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.90 1poz s ALA 123 CO 0.79 -0.22 1.22 -2.14 0.00 0.00 0.00 175.76 175.41 1poz s PRO 124 N -4.56 3.79 -1.24 0.00 0.02 -1.26 -4.68 135.00 127.07 1poz s PRO 124 Ca 0.45 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 1poz s PRO 124 Cb -0.10 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 1poz s PRO 124 CO 0.41 -0.56 2.23 -0.35 -0.33 0.00 0.00 177.00 178.40 1poz n PRO 125 N -0.30 2.52 0.05 5.54 -0.04 -1.25 -1.84 135.00 139.67 1poz n PRO 125 Ca 0.06 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1poz n PRO 125 Cb 0.46 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1poz n GLU 126 N 5.86 0.00 -3.64 0.54 0.00 -1.02 -4.88 120.64 117.51 1poz n GLU 126 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.67 1poz n GLU 126 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.72 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1poz s GLU 127 N -2.00 0.34 -0.29 5.31 -1.05 -1.23 -0.63 118.70 119.15 1poz s GLU 127 Ca 0.00 0.52 0.01 0.00 -0.15 0.00 0.00 54.97 55.34 1poz s GLU 127 Cb 0.00 0.10 0.19 0.00 -0.44 0.00 0.00 34.13 33.98 1poz s GLU 127 CO 0.00 -0.06 0.58 0.34 0.95 0.00 0.00 175.26 177.07 1poz s ASP 128 N 0.91 -1.31 0.00 0.83 2.15 0.10 -4.64 116.67 114.71 1poz s ASP 128 Ca -0.04 0.64 0.08 0.00 0.43 0.00 0.00 52.55 53.66 1poz s ASP 128 Cb -0.04 2.05 0.14 0.00 -0.30 0.00 0.00 42.92 44.78 1poz s ASP 128 CO -0.12 -0.27 0.98 0.00 -0.17 0.00 0.00 175.17 175.58 1poz n THR 130 N 0.34 0.25 -0.71 0.00 -2.24 -1.26 -4.59 114.28 106.07 1poz n THR 130 Ca 0.07 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 1poz n THR 130 Cb 0.29 -1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.13 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 7.13 0.25 0.00 3.42 3.41 -1.26 -4.84 113.62 121.73 1poz n SER 131 Ca 0.34 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1poz n SER 131 Cb 0.15 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1poz n SER 131 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1poz n VAL 132 N 3.61 0.00 -0.37 -3.33 0.31 -1.26 -4.60 118.33 112.68 1poz n VAL 132 Ca 0.31 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 1poz n VAL 132 Cb 0.00 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.00 0.00 0.00 2.52 5.66 -1.26 -4.75 114.28 116.45 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 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 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 0.03 0.00 -3.38 1.09 8.00 -1.26 -4.72 116.55 116.31 1poz n ASP 134 Ca 0.00 0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.30 1poz n ASP 134 Cb 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.21 -2.62 -0.04 0.64 7.99 -1.25 -4.80 117.00 116.71 1poz n LEU 135 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 1poz n LEU 135 Cb 0.00 -2.77 0.00 0.00 -0.11 0.00 0.00 43.42 40.54 1poz n LEU 135 CO 0.00 0.36 0.04 -2.65 -1.51 0.00 0.00 177.39 173.63 1poz n PRO 136 N -4.33 0.09 -0.04 3.23 -0.02 -1.06 -1.72 135.00 131.14 1poz n PRO 136 Ca -0.04 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.56 1poz n PRO 136 Cb 0.58 -1.00 0.12 0.00 -0.02 0.00 0.00 33.50 33.17 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 -0.43 3.04 -2.56 2.55 2.85 0.54 -4.96 115.26 116.29 1poz n ASN 137 Ca 0.00 -1.97 -0.05 0.00 -0.11 0.00 0.00 54.58 52.45 1poz n ASN 137 Cb 0.00 -0.05 0.02 0.00 1.24 0.00 0.00 39.78 40.99 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 1.34 0.10 -2.13 5.20 0.00 -0.70 -4.78 120.51 119.53 1poz n ALA 138 Ca 0.15 -0.42 -0.19 0.00 0.00 0.00 0.00 53.44 52.97 1poz n ALA 138 Cb 0.58 0.08 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.29 2.55 0.58 0.00 -0.12 -1.18 -4.95 117.98 114.57 1poz s PHE 139 Ca 0.14 -0.50 -0.18 0.00 -0.05 0.00 0.00 56.93 56.34 1poz s PHE 139 Cb -0.01 -2.24 -0.04 0.00 -0.63 0.00 0.00 43.02 40.10 1poz s PHE 139 CO 0.09 -0.37 1.11 0.16 -0.05 0.00 0.00 175.22 176.16 1poz s ASP 140 N -4.28 5.62 0.00 1.98 -4.77 -1.26 -2.23 116.67 111.72 1poz s ASP 140 Ca 0.51 2.06 0.00 0.00 -3.30 0.00 0.00 52.55 51.82 1poz s ASP 140 Cb -0.06 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 1poz s ASP 140 CO 0.31 -1.28 0.00 0.61 0.70 0.00 0.00 175.17 175.50 1poz n GLY 141 N -0.20 3.78 0.50 2.12 0.00 -1.14 -4.57 105.19 105.67 1poz n GLY 141 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1poz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poz n PRO 142 N -1.13 0.67 -1.91 1.61 -0.02 -1.24 -1.63 135.00 131.35 1poz n PRO 142 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1poz n PRO 142 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.99 3.36 -0.94 4.25 1.01 -0.62 -4.77 121.20 122.49 1poz s ILE 143 Ca 0.00 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 60.74 1poz s ILE 143 Cb 0.00 -3.53 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 1poz s ILE 143 CO 0.00 -0.37 2.18 -0.89 0.00 0.00 0.00 174.94 175.86 1poz s THR 144 N 7.66 3.17 -0.82 2.92 2.01 -1.25 -0.93 115.64 128.39 1poz s THR 144 Ca 0.83 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 62.39 1poz s THR 144 Cb -0.23 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.67 1poz s THR 144 CO 0.32 -0.33 1.23 -0.63 -0.69 0.00 0.00 174.62 174.52 1poz s ILE 145 N 14.06 4.05 0.16 1.82 1.01 0.25 -2.72 121.20 139.83 1poz s ILE 145 Ca 0.82 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.08 1poz s ILE 145 Cb -0.08 -4.88 -0.06 0.00 0.01 0.00 0.00 42.46 37.45 1poz s ILE 145 CO 0.10 -1.74 0.39 0.28 0.00 0.00 0.00 174.94 173.97 1poz s THR 146 N 4.74 5.15 -0.13 2.92 -1.32 -1.03 -1.18 115.64 124.79 1poz s THR 146 Ca 0.35 0.02 -0.02 0.00 -1.21 0.00 0.00 61.69 60.82 1poz s THR 146 Cb -0.08 -3.64 0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1poz s THR 146 CO 0.04 -0.00 0.00 -0.63 -2.21 0.00 0.00 174.62 171.82 1poz s ILE 147 N -1.70 0.55 -0.42 5.08 -1.09 0.44 0.94 121.20 125.01 1poz s ILE 147 Ca 0.41 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.42 1poz s ILE 147 Cb -0.12 -0.84 0.02 0.00 -1.58 0.00 0.00 42.46 39.94 1poz s ILE 147 CO 0.25 0.07 0.38 -0.69 -1.23 0.00 0.00 174.94 173.72 1poz s VAL 148 N 1.88 5.16 0.28 2.92 1.01 0.56 -1.07 120.40 131.14 1poz s VAL 148 Ca 0.02 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1poz s VAL 148 Cb -0.14 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1poz s VAL 148 CO -0.07 -0.37 0.77 0.21 0.00 0.00 0.00 175.10 175.64 1poz s ASN 149 N 1.76 7.00 0.61 3.32 3.84 0.21 0.91 114.94 132.59 1poz s ASN 149 Ca 0.09 1.45 0.27 0.00 0.21 0.00 0.00 52.86 54.89 1poz s ASN 149 Cb -0.18 -2.44 1.39 0.00 -0.55 0.00 0.00 41.25 39.47 1poz s ASN 149 CO 0.12 -0.09 1.80 0.03 -2.79 0.00 0.00 177.10 176.17 1poz h ARG 150 N 2.91 0.00 -0.73 0.43 2.47 -0.54 0.26 114.38 119.17 1poz h ARG 150 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1poz h ARG 150 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1poz h ARG 150 CO 0.65 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.93 1poz n ASP 151 N -3.40 0.73 -1.57 7.04 8.00 -1.26 -4.77 116.55 121.31 1poz n ASP 151 Ca 0.07 -1.62 -0.14 0.00 0.71 0.00 0.00 54.79 53.81 1poz n ASP 151 Cb 0.70 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1poz n GLY 152 N 0.12 -0.09 3.86 0.44 0.00 0.86 -5.01 105.19 105.37 1poz n GLY 152 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.69 4.02 -0.21 2.61 -4.23 -0.96 -4.93 115.64 109.25 1poz s THR 153 Ca 0.00 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 1poz s THR 153 Cb 0.00 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.61 1poz s THR 153 CO 0.00 -0.25 0.45 0.00 -0.54 0.00 0.00 174.62 174.29 1poz s ARG 154 N -3.96 0.37 0.06 3.99 1.70 -1.25 -0.62 118.95 119.24 1poz s ARG 154 Ca 0.38 1.08 0.05 0.00 -0.47 0.00 0.00 55.73 56.77 1poz s ARG 154 Cb -0.07 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1poz s ARG 154 CO 0.27 -0.24 -0.08 0.71 -1.08 0.00 0.00 175.30 174.88 1poz s TYR 155 N 2.57 2.82 -0.09 5.89 2.02 -0.23 -4.90 117.35 125.44 1poz s TYR 155 Ca -0.03 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1poz s TYR 155 Cb -0.12 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 1poz s TYR 155 CO -0.14 0.40 -0.14 0.54 -1.57 0.00 0.00 175.55 174.65 1poz s VAL 156 N -1.12 3.06 0.18 0.71 0.11 -1.26 -0.42 120.40 121.66 1poz s VAL 156 Ca 0.20 -0.69 -0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1poz s VAL 156 Cb -0.11 -2.24 -0.02 0.00 -1.53 0.00 0.00 36.38 32.48 1poz s VAL 156 CO 0.11 0.56 0.22 -1.58 -3.33 0.00 0.00 175.10 171.08 1poz s GLN 157 N -0.23 1.18 -0.26 1.54 0.74 -0.32 -4.97 119.66 117.33 1poz s GLN 157 Ca 0.01 -1.37 0.01 0.00 0.05 0.00 0.00 55.36 54.07 1poz s GLN 157 Cb -0.13 0.33 0.07 0.00 1.10 0.00 0.00 33.01 34.38 1poz s GLN 157 CO 0.03 -0.41 -0.03 0.15 -0.55 0.00 0.00 175.29 174.47 1poz s LYS 158 N -4.04 1.62 0.00 1.67 1.02 -1.26 0.86 119.74 119.60 1poz s LYS 158 Ca 0.25 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.07 1poz s LYS 158 Cb 0.05 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1poz s LYS 158 CO 0.05 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 1poz n GLY 159 N 4.59 4.33 3.65 -3.33 0.00 -0.11 -4.66 105.19 109.67 1poz n GLY 159 Ca -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 4.05 0.25 0.00 1.61 0.41 -0.95 -1.59 118.70 122.48 1poz s GLU 160 Ca 0.00 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 1poz s GLU 160 Cb 0.00 0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.41 1poz s GLU 160 CO 0.00 -0.05 0.20 2.48 -0.49 0.00 0.00 175.26 177.40 1poz n TYR 161 N 3.20 0.00 -0.23 1.61 4.11 -1.26 -3.11 117.16 121.48 1poz n TYR 161 Ca -0.17 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.90 57.62 1poz n TYR 161 Cb 0.57 0.29 0.00 0.00 -0.00 0.00 0.00 39.34 40.20 1poz n TYR 161 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1poz n ARG 162 N 0.00 1.07 0.00 -3.48 1.85 -1.26 -4.41 116.66 110.43 1poz n ARG 162 Ca -0.05 -0.14 0.02 0.00 -1.00 0.00 0.00 57.85 56.67 1poz n ARG 162 Cb 0.31 -1.06 0.13 0.00 -1.05 0.00 0.00 32.46 30.80 1poz n ARG 162 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1poz n THR 163 N 1.19 0.00 -3.69 8.89 -1.04 -1.26 -4.16 114.28 114.20 1poz n THR 163 Ca 0.03 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.67 1poz n THR 163 Cb 0.52 -0.66 -0.09 0.00 -1.82 0.00 0.00 70.33 68.27 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 -1.90 5.33 0.17 8.00 -0.87 -1.26 -4.92 114.94 119.50 1poz s ASN 164 Ca 0.07 -2.83 0.11 0.00 -1.57 0.00 0.00 52.86 48.63 1poz s ASN 164 Cb 0.03 -1.88 0.58 0.00 -0.02 0.00 0.00 41.25 39.96 1poz s ASN 164 CO 0.05 -0.38 1.30 -2.65 -2.57 0.00 0.00 177.10 172.85 1poz n PRO 165 N 3.53 0.07 0.13 -0.60 -0.02 -1.26 -1.68 135.00 135.17 1poz n PRO 165 Ca 0.08 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 1poz n PRO 165 Cb 0.38 -1.78 0.50 0.00 -0.02 0.00 0.00 33.50 32.59 1poz n PRO 165 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1poz n GLU 166 N -1.87 0.14 0.10 -0.52 2.13 -1.26 -0.96 120.64 118.40 1poz n GLU 166 Ca -0.01 0.55 0.13 0.00 0.66 0.00 0.00 57.16 58.49 1poz n GLU 166 Cb 0.06 -1.88 0.33 0.00 0.27 0.00 0.00 31.44 30.23 1poz n GLU 166 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1poz h ASP 167 N 0.00 0.00 0.00 4.31 2.03 -1.72 -3.34 116.42 117.70 1poz h ASP 167 Ca 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1poz h ASP 167 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1poz h ASP 167 CO 0.00 0.03 0.00 -0.38 -1.03 0.00 0.00 179.24 177.86 1poz n ILE 168 N -2.26 0.00 -3.58 4.15 5.41 -0.13 -4.88 119.36 118.06 1poz n ILE 168 Ca 0.05 0.41 -0.39 0.00 1.00 0.00 0.00 62.75 63.81 1poz n ILE 168 Cb 0.44 -1.40 -0.06 0.00 -0.71 0.00 0.00 39.64 37.90 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 -0.97 3.71 0.55 1.39 -0.85 -0.99 -5.07 117.35 115.10 1poz s TYR 169 Ca 0.00 -2.68 -0.17 0.00 -0.52 0.00 0.00 57.07 53.70 1poz s TYR 169 Cb 0.00 -3.39 -0.06 0.00 0.38 0.00 0.00 41.96 38.89 1poz s TYR 169 CO 0.00 -0.84 1.04 -1.25 -1.52 0.00 0.00 175.55 172.98 1poz s PRO 170 N -0.55 3.55 0.00 -3.49 0.04 -1.25 -4.68 135.00 128.61 1poz s PRO 170 Ca 0.22 1.23 0.29 0.00 0.04 0.00 0.00 61.00 62.78 1poz s PRO 170 Cb -0.13 -2.06 1.36 0.00 0.04 0.00 0.00 34.50 33.71 1poz s PRO 170 CO -0.08 -0.63 1.97 0.43 0.04 0.00 0.00 177.00 178.73 1poz n SER 171 N -1.63 0.10 -4.33 6.66 7.64 -1.26 -4.65 113.62 116.14 1poz n SER 171 Ca 0.09 -0.06 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 1poz n SER 171 Cb 0.53 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 63.33 1poz n SER 171 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1poz s ASN 172 N -2.68 5.45 0.27 6.43 2.47 -1.26 -5.08 114.94 120.54 1poz s ASN 172 Ca 0.24 -0.98 -0.30 0.00 0.42 0.00 0.00 52.86 52.25 1poz s ASN 172 Cb 0.20 -1.93 -0.10 0.00 -1.45 0.00 0.00 41.25 37.96 1poz s ASN 172 CO 0.49 -0.32 1.40 -2.16 -3.72 0.00 0.00 177.10 172.79 1poz s PRO 173 N 1.49 4.29 0.77 0.43 0.04 -1.26 -5.00 135.00 135.76 1poz s PRO 173 Ca 0.01 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 1poz s PRO 173 Cb -0.19 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.31 1poz s PRO 173 CO 0.04 -0.35 1.08 -0.08 0.04 0.00 0.00 177.00 177.74 1poz s THR 174 N -0.35 3.39 0.09 1.26 -1.32 -1.26 -4.93 115.64 112.52 1poz s THR 174 Ca 0.56 0.45 -0.31 0.00 -1.21 0.00 0.00 61.69 61.18 1poz s THR 174 Cb -0.41 -3.01 -0.10 0.00 -1.51 0.00 0.00 72.50 67.47 1poz s THR 174 CO 0.46 -0.59 1.90 -0.67 -2.21 0.00 0.00 174.62 173.52 1poz n ASP 175 N -3.47 4.13 -4.76 8.08 2.03 -1.26 -4.92 116.55 116.37 1poz n ASP 175 Ca 0.08 0.95 -0.41 0.00 0.52 0.00 0.00 54.79 55.93 1poz n ASP 175 Cb 0.54 -1.54 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 1poz n ASP 175 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1poz s ASP 176 N 3.51 6.46 0.14 1.67 1.01 -1.26 -4.90 116.67 123.29 1poz s ASP 176 Ca 0.85 2.90 -0.31 0.00 0.71 0.00 0.00 52.55 56.70 1poz s ASP 176 Cb -0.46 -2.65 -0.11 0.00 1.01 0.00 0.00 42.92 40.72 1poz s ASP 176 CO 0.39 -0.82 1.80 1.51 0.21 0.00 0.00 175.17 178.26 1poz s ASP 177 N 0.14 6.42 0.00 0.27 1.47 -1.26 -5.33 116.67 118.39 1poz s ASP 177 Ca 0.57 2.77 0.00 0.00 1.18 0.00 0.00 52.55 57.07 1poz s ASP 177 Cb -0.45 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.55 1poz s ASP 177 CO 0.53 -0.99 0.35 1.33 0.68 0.00 0.00 175.17 177.06