#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 0.78 0.08 0.00 -2.07 -1.26 -1.37 119.66 115.82 1poz s GLN 21 Ca 0.00 0.92 0.08 0.00 -1.82 0.00 0.00 55.36 54.54 1poz s GLN 21 Cb 0.00 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.27 1poz s GLN 21 CO 0.00 -0.09 -0.21 0.96 -1.32 0.00 0.00 175.29 174.62 1poz s ILE 22 N 0.34 1.71 -0.38 3.63 -4.36 -1.01 -4.95 121.20 116.18 1poz s ILE 22 Ca -0.00 -1.40 -0.14 0.00 -0.26 0.00 0.00 60.65 58.85 1poz s ILE 22 Cb -0.05 -1.53 0.01 0.00 1.25 0.00 0.00 42.46 42.15 1poz s ILE 22 CO 0.01 0.06 0.27 -0.62 0.24 0.00 0.00 174.94 174.90 1poz s ASP 23 N -1.60 6.02 -0.22 4.36 -1.08 -1.26 -1.59 116.67 121.30 1poz s ASP 23 Ca 0.07 -0.79 -0.04 0.00 -0.52 0.00 0.00 52.55 51.27 1poz s ASP 23 Cb -0.09 -2.13 -0.01 0.00 -1.46 0.00 0.00 42.92 39.22 1poz s ASP 23 CO 0.03 -0.38 -0.03 -0.76 0.52 0.00 0.00 175.17 174.55 1poz s LEU 24 N 1.67 2.99 -0.18 -1.34 2.01 -0.09 -0.89 118.68 122.84 1poz s LEU 24 Ca 0.05 -0.35 -0.13 0.00 0.01 0.00 0.00 54.13 53.71 1poz s LEU 24 Cb -0.19 -1.76 -0.05 0.00 0.01 0.00 0.00 46.19 44.20 1poz s LEU 24 CO 0.09 -0.00 0.25 0.21 1.01 0.00 0.00 176.35 177.91 1poz s ASN 25 N 1.39 6.36 0.30 2.29 3.84 0.18 -0.05 114.94 129.25 1poz s ASN 25 Ca 0.05 0.41 0.03 0.00 0.21 0.00 0.00 52.86 53.55 1poz s ASN 25 Cb -0.14 -2.16 -0.05 0.00 -0.55 0.00 0.00 41.25 38.34 1poz s ASN 25 CO -0.02 0.10 0.09 0.27 -2.79 0.00 0.00 177.10 174.75 1poz s ILE 26 N 0.55 0.81 -0.17 -5.21 -4.36 0.11 0.13 121.20 113.06 1poz s ILE 26 Ca 0.14 -2.00 0.17 0.00 -0.26 0.00 0.00 60.65 58.70 1poz s ILE 26 Cb -0.13 -2.67 -0.23 0.00 1.25 0.00 0.00 42.46 40.67 1poz s ILE 26 CO 0.03 0.00 0.09 0.41 0.24 0.00 0.00 174.94 175.71 1poz n THR 27 N -0.60 1.19 0.00 8.37 -1.04 0.40 0.29 114.28 122.88 1poz n THR 27 Ca -0.01 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1poz n THR 27 Cb 0.66 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.07 3.70 -2.71 0.00 3.00 -0.78 -2.85 116.66 115.94 1poz n ARG 29 Ca 0.00 -4.47 -0.42 0.00 -0.01 0.00 0.00 57.85 52.95 1poz n ARG 29 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 32.46 29.88 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 -1.52 3.69 0.00 -1.55 0.40 0.16 -2.14 117.98 117.02 1poz s PHE 30 Ca 0.31 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 58.36 1poz s PHE 30 Cb -0.08 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1poz s PHE 30 CO -0.05 0.02 0.00 0.00 0.70 0.00 0.00 175.22 175.89 1poz n ALA 31 N 3.68 0.00 0.00 5.36 0.00 0.87 -0.01 120.51 130.41 1poz n ALA 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1poz n ALA 31 Cb 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.46 1.29 3.01 0.00 0.00 -0.52 -3.05 105.19 106.38 1poz n GLY 32 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.53 -0.23 1.61 1.01 0.99 -2.03 120.40 121.27 1poz s VAL 33 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1poz s VAL 33 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1poz s VAL 33 CO 0.00 0.45 -0.07 0.12 0.00 0.00 0.00 175.10 175.60 1poz s PHE 34 N 1.50 3.00 -0.29 5.22 5.36 -0.03 0.37 117.98 133.12 1poz s PHE 34 Ca 0.05 -1.37 -0.23 0.00 -0.96 0.00 0.00 56.93 54.41 1poz s PHE 34 Cb -0.13 -2.06 -0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1poz s PHE 34 CO -0.11 -0.68 0.78 -1.58 -1.46 0.00 0.00 175.22 172.17 1poz s HIS 35 N 1.37 3.24 0.28 10.12 5.65 -1.13 -2.65 115.29 132.17 1poz s HIS 35 Ca 0.02 0.89 0.07 0.00 0.25 0.00 0.00 55.06 56.30 1poz s HIS 35 Cb -0.15 -3.14 -0.03 0.00 -1.18 0.00 0.00 32.58 28.08 1poz s HIS 35 CO -0.05 -0.50 0.25 0.54 -0.65 0.00 0.00 174.74 174.33 1poz s VAL 36 N 2.88 4.15 -0.14 0.89 0.11 0.20 -0.45 120.40 128.04 1poz s VAL 36 Ca 0.32 -1.36 -0.12 0.00 -2.93 0.00 0.00 61.98 57.90 1poz s VAL 36 Cb -0.15 -3.35 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1poz s VAL 36 CO 0.11 -0.28 0.36 -1.61 -3.33 0.00 0.00 175.10 170.35 1poz s GLU 37 N -3.92 0.41 -1.06 1.54 2.02 0.35 -1.51 118.70 116.53 1poz s GLU 37 Ca 0.36 0.51 -0.07 0.00 0.02 0.00 0.00 54.97 55.80 1poz s GLU 37 Cb -0.07 0.18 0.27 0.00 0.10 0.00 0.00 34.13 34.61 1poz s GLU 37 CO 0.26 -0.06 1.06 1.17 0.02 0.00 0.00 175.26 177.71 1poz n LYS 38 N 2.99 3.37 -1.52 1.61 0.00 -1.26 -0.65 118.16 122.70 1poz n LYS 38 Ca -0.14 -4.47 0.00 0.00 0.00 0.00 0.00 58.31 53.70 1poz n LYS 38 Cb 0.57 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 33.09 1poz n LYS 38 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1poz n ASN 39 N 2.49 -0.49 -0.09 3.14 0.23 -0.07 -4.56 115.26 115.90 1poz n ASN 39 Ca 0.24 0.25 -0.11 0.00 -0.53 0.00 0.00 54.58 54.42 1poz n ASN 39 Cb 0.38 -0.57 -0.11 0.00 -2.08 0.00 0.00 39.78 37.40 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1poz n GLY 40 N -0.25 -0.57 1.71 4.83 0.00 -1.26 -4.95 105.19 104.70 1poz n GLY 40 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1poz n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1poz n ARG 41 N -2.83 -0.49 -0.72 1.61 1.85 -1.26 0.13 116.66 114.95 1poz n ARG 41 Ca -0.31 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1poz n ARG 41 Cb 0.97 -0.57 0.00 0.00 -1.05 0.00 0.00 32.46 31.81 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 0.17 0.00 -2.82 2.89 4.01 -1.23 -4.85 117.16 115.33 1poz n TYR 42 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.71 1poz n TYR 42 Cb 0.21 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.54 -4.63 7.72 7.64 0.35 -3.45 113.62 122.80 1poz n SER 43 Ca 0.00 -2.11 -0.28 0.00 1.01 0.00 0.00 58.87 57.49 1poz n SER 43 Cb 0.00 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.63 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 -3.70 3.59 0.40 0.44 1.01 -0.99 -4.38 121.20 117.56 1poz s ILE 44 Ca 0.27 -1.33 0.08 0.00 0.00 0.00 0.00 60.65 59.66 1poz s ILE 44 Cb 0.34 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1poz s ILE 44 CO -0.03 -0.00 0.21 -0.44 0.00 0.00 0.00 174.94 174.68 1poz s SER 45 N -2.59 4.59 0.44 3.58 0.01 -1.26 -0.88 113.70 117.58 1poz s SER 45 Ca 0.25 -0.96 0.21 0.00 1.31 0.00 0.00 55.95 56.76 1poz s SER 45 Cb -0.10 -0.54 1.02 0.00 0.21 0.00 0.00 66.02 66.60 1poz s SER 45 CO 0.17 -0.52 1.90 -0.09 0.41 0.00 0.00 173.24 175.11 1poz h ARG 46 N 1.38 0.00 0.18 12.44 2.43 -1.97 -2.78 114.38 126.06 1poz h ARG 46 Ca -0.43 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1poz h ARG 46 Cb 1.25 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1poz h ARG 46 CO 0.66 0.25 -0.11 1.15 -1.51 0.00 0.00 179.97 180.41 1poz h THR 47 N 0.00 0.00 0.58 0.20 2.02 -1.98 -1.57 112.91 112.16 1poz h THR 47 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1poz h THR 47 Cb 0.59 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1poz h THR 47 CO 0.03 0.00 -0.37 -0.33 0.37 0.00 0.00 175.52 175.22 1poz h GLU 48 N -0.27 -0.87 0.00 6.66 3.07 -1.84 -2.65 114.58 118.67 1poz h GLU 48 Ca -0.02 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1poz h GLU 48 Cb 0.22 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1poz h GLU 48 CO 0.02 -0.58 0.00 0.00 -1.40 0.00 0.00 179.01 177.05 1poz n ALA 49 N -2.60 -0.02 -0.34 3.43 0.00 -1.05 -1.07 120.51 118.86 1poz n ALA 49 Ca -0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.50 1poz n ALA 49 Cb 0.39 0.38 0.35 0.00 0.00 0.00 0.00 19.45 20.57 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 -1.41 1.36 -0.35 0.00 0.00 -1.34 0.31 119.26 117.84 1poz h ALA 50 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1poz h ALA 50 Cb 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1poz h ALA 50 CO 0.00 -0.64 -0.46 -0.44 0.00 0.00 0.00 179.25 177.70 1poz h ASP 51 N 0.01 -1.52 -0.01 0.00 5.19 -0.72 -1.05 116.42 118.32 1poz h ASP 51 Ca 0.65 0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 57.26 1poz h ASP 51 Cb 1.43 0.64 0.00 0.00 0.18 0.00 0.00 39.33 41.58 1poz h ASP 51 CO -0.90 -0.39 -0.04 0.25 -3.12 0.00 0.00 179.24 175.04 1poz h LEU 52 N -0.38 0.04 -1.26 1.55 6.46 -0.54 -1.28 115.31 119.89 1poz h LEU 52 Ca 0.11 -0.69 0.44 0.00 -0.12 0.00 0.00 57.88 57.62 1poz h LEU 52 Cb 0.60 -0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.39 1poz h LEU 52 CO -0.55 0.73 0.80 0.00 -0.62 0.00 0.00 178.44 178.81 1poz n LYS 54 N -4.61 0.66 -0.30 0.00 2.85 -0.42 -3.67 118.16 112.67 1poz n LYS 54 Ca 0.38 0.29 0.23 0.00 -1.05 0.00 0.00 58.31 58.15 1poz n LYS 54 Cb 1.45 -1.78 0.43 0.00 -0.65 0.00 0.00 35.03 34.48 1poz n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1poz n ALA 55 N -2.66 0.74 -2.49 0.58 0.00 0.98 0.06 120.51 117.72 1poz n ALA 55 Ca -0.20 0.96 -0.38 0.00 0.00 0.00 0.00 53.44 53.81 1poz n ALA 55 Cb 1.05 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.67 1poz n ALA 55 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1poz n PHE 56 N -5.20 3.01 -2.78 0.00 -1.74 -1.06 0.10 117.46 109.80 1poz n PHE 56 Ca 0.29 -2.70 -0.25 0.00 -0.56 0.00 0.00 57.45 54.23 1poz n PHE 56 Cb 0.98 -1.06 0.03 0.00 1.52 0.00 0.00 39.48 40.95 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 -0.22 -4.07 -3.92 5.98 3.02 0.11 -4.58 115.26 111.58 1poz n ASN 57 Ca 0.46 -0.07 -0.11 0.00 -0.03 0.00 0.00 54.58 54.84 1poz n ASN 57 Cb 0.29 -1.15 -0.06 0.00 -0.61 0.00 0.00 39.78 38.24 1poz n ASN 57 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1poz s SER 58 N -1.01 0.13 0.18 6.41 0.15 -1.24 -1.39 113.70 116.93 1poz s SER 58 Ca 0.25 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.83 1poz s SER 58 Cb -0.03 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 1poz s SER 58 CO 0.56 -1.10 -0.13 0.42 1.20 0.00 0.00 173.24 174.19 1poz s THR 59 N -3.89 1.53 0.21 6.45 -4.23 -0.85 -4.51 115.64 110.35 1poz s THR 59 Ca 0.28 -2.12 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 1poz s THR 59 Cb 0.01 -1.94 -0.16 0.00 1.34 0.00 0.00 72.50 71.76 1poz s THR 59 CO 0.12 -0.62 0.44 0.18 -0.54 0.00 0.00 174.62 174.19 1poz n LEU 60 N -0.24 -1.34 -4.56 4.79 4.77 -1.26 -2.82 117.00 116.34 1poz n LEU 60 Ca -0.09 1.03 -0.22 0.00 -0.03 0.00 0.00 56.01 56.70 1poz n LEU 60 Cb 0.60 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1poz n LEU 60 CO 0.33 -2.94 1.40 -2.16 -1.33 0.00 0.00 177.39 172.70 1poz s PRO 61 N -0.94 1.94 0.71 3.23 0.04 -1.23 -4.63 135.00 134.12 1poz s PRO 61 Ca 0.60 0.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 1poz s PRO 61 Cb -0.84 -4.78 0.06 0.00 0.04 0.00 0.00 34.50 28.98 1poz s PRO 61 CO 0.53 -3.93 1.02 0.99 0.04 0.00 0.00 177.00 175.65 1poz s THR 62 N 13.05 2.26 0.33 1.26 2.01 -1.26 -0.92 115.64 132.36 1poz s THR 62 Ca 0.87 -0.26 0.12 0.00 0.31 0.00 0.00 61.69 62.72 1poz s THR 62 Cb -0.12 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.43 1poz s THR 62 CO 0.10 0.00 1.74 0.24 -0.69 0.00 0.00 174.62 176.00 1poz h MET 63 N -0.62 0.00 0.05 4.92 2.86 -1.99 -2.33 114.93 117.81 1poz h MET 63 Ca -0.44 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1poz h MET 63 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1poz h MET 63 CO 0.60 0.48 -0.02 0.00 1.06 0.00 0.00 176.91 179.03 1poz h ALA 64 N 1.52 -0.06 -0.60 6.32 0.00 -1.98 -0.19 119.26 124.27 1poz h ALA 64 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1poz h ALA 64 Cb 0.84 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1poz h ALA 64 CO 0.06 -0.26 0.40 1.96 0.00 0.00 0.00 179.25 181.40 1poz h GLN 65 N -0.60 0.78 0.31 0.00 4.20 -1.94 -1.95 115.11 115.91 1poz h GLN 65 Ca -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1poz h GLN 65 Cb 0.54 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1poz h GLN 65 CO 0.01 0.52 -0.15 0.52 -0.67 0.00 0.00 178.83 179.06 1poz h MET 66 N 0.81 -0.40 -0.61 1.46 2.86 -1.47 -2.72 114.93 114.86 1poz h MET 66 Ca 0.22 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 58.01 1poz h MET 66 Cb -0.09 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 1poz h MET 66 CO -0.05 -0.08 -0.19 0.93 1.06 0.00 0.00 176.91 178.58 1poz h GLU 67 N -0.77 -0.04 -0.45 1.72 4.39 -0.96 1.54 114.58 120.01 1poz h GLU 67 Ca -0.04 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1poz h GLU 67 Cb 0.51 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 1poz h GLU 67 CO 0.07 -0.03 0.11 -0.22 -1.16 0.00 0.00 179.01 177.78 1poz h LYS 68 N -0.04 0.24 0.00 2.33 3.11 -1.38 0.32 116.57 121.15 1poz h LYS 68 Ca 0.29 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 1poz h LYS 68 Cb 0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1poz h LYS 68 CO -0.65 0.16 0.00 0.00 -2.81 0.00 0.00 179.45 176.15 1poz n ALA 69 N -2.46 2.06 0.12 5.00 0.00 0.31 -3.08 120.51 122.45 1poz n ALA 69 Ca 0.04 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1poz n ALA 69 Cb 0.20 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 1poz n ALA 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1poz h LEU 70 N 0.00 0.64 -0.65 0.00 4.07 0.59 -1.89 115.31 118.08 1poz h LEU 70 Ca 0.00 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1poz h LEU 70 Cb 0.44 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1poz h LEU 70 CO 0.00 1.51 0.00 -1.20 -1.08 0.00 0.00 178.44 177.67 1poz n SER 71 N -3.65 0.98 -0.07 -0.43 7.64 -0.54 -3.35 113.62 114.21 1poz n SER 71 Ca -0.12 -1.48 0.11 0.00 1.01 0.00 0.00 58.87 58.39 1poz n SER 71 Cb 1.04 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 64.16 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 -0.18 0.00 0.00 0.44 -6.64 -1.20 -4.95 119.36 106.83 1poz n ILE 72 Ca 0.18 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 61.12 1poz n ILE 72 Cb 0.24 0.90 0.00 0.00 -1.44 0.00 0.00 39.64 39.34 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 1.49 1.06 3.88 3.28 0.00 -1.21 -4.97 105.19 108.71 1poz n GLY 73 Ca 0.05 0.00 -0.36 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 3.60 0.00 1.61 2.19 -0.71 -4.86 117.98 117.81 1poz s PHE 74 Ca 0.00 0.59 0.00 0.00 0.33 0.00 0.00 56.93 57.85 1poz s PHE 74 Cb 0.00 -2.00 0.00 0.00 -1.31 0.00 0.00 43.02 39.71 1poz s PHE 74 CO 0.00 0.66 0.00 -0.85 1.83 0.00 0.00 175.22 176.86 1poz n GLU 75 N 1.49 0.00 0.00 10.12 0.28 -1.26 -4.18 120.64 127.09 1poz n GLU 75 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1poz n GLU 75 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1poz n GLU 75 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1poz n THR 76 N -0.23 0.00 -0.76 3.84 -2.24 -1.26 -3.80 114.28 109.83 1poz n THR 76 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1poz n THR 76 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.52 3.00 -0.85 0.00 1.81 -1.25 -4.80 118.95 115.34 1poz s ARG 78 Ca 0.00 -0.95 -0.25 0.00 -1.72 0.00 0.00 55.73 52.81 1poz s ARG 78 Cb 0.00 -2.64 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 1poz s ARG 78 CO 0.00 0.43 1.40 0.71 -0.68 0.00 0.00 175.30 177.16 1poz s TYR 79 N -1.99 2.33 0.26 -0.53 2.02 -1.26 -4.62 117.35 113.55 1poz s TYR 79 Ca 0.33 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 1poz s TYR 79 Cb -0.09 -4.61 -0.03 0.00 -0.40 0.00 0.00 41.96 36.83 1poz s TYR 79 CO 0.25 -2.03 0.30 0.20 -1.57 0.00 0.00 175.55 172.70 1poz s GLY 80 N 4.58 1.39 -0.10 0.71 0.00 -0.79 -1.44 107.32 111.67 1poz s GLY 80 Ca 0.42 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 1poz s GLY 80 CO 0.05 -1.38 0.97 -0.12 0.00 0.00 0.00 173.10 172.62 1poz s PHE 81 N -2.10 3.52 0.00 1.90 5.36 0.14 -0.40 117.98 126.40 1poz s PHE 81 Ca 0.35 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.87 1poz s PHE 81 Cb -0.08 -3.14 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1poz s PHE 81 CO 0.27 -0.19 0.00 1.51 -1.46 0.00 0.00 175.22 175.36 1poz n ILE 82 N 4.46 0.00 -0.15 3.12 0.13 0.23 -2.06 119.36 125.08 1poz n ILE 82 Ca 0.07 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.68 1poz n ILE 82 Cb 0.49 -0.51 0.05 0.00 -0.84 0.00 0.00 39.64 38.83 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 0.37 0.00 9.51 4.39 -1.38 -3.30 114.58 124.17 1poz h GLU 83 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1poz h GLU 83 Cb 0.00 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1poz h GLU 83 CO 0.00 0.24 -0.27 0.78 -1.16 0.00 0.00 179.01 178.61 1poz h GLY 84 N 0.38 0.00 0.00 -3.84 0.00 -1.96 -3.50 103.07 94.16 1poz h GLY 84 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1poz h GLY 84 CO -0.20 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.76 1poz n HIS 85 N -4.69 -0.06 -1.72 5.60 8.25 -1.24 -5.12 115.22 116.23 1poz n HIS 85 Ca -0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 1poz n HIS 85 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1poz n HIS 85 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1poz s VAL 86 N -2.68 3.11 0.16 1.59 0.11 -1.26 -0.60 120.40 120.83 1poz s VAL 86 Ca 0.00 0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1poz s VAL 86 Cb 0.00 -3.09 -0.05 0.00 -1.53 0.00 0.00 36.38 31.71 1poz s VAL 86 CO 0.00 -0.02 -0.01 0.68 -3.33 0.00 0.00 175.10 172.42 1poz s VAL 87 N 4.99 0.69 -0.13 2.04 -7.23 0.47 -2.68 120.40 118.54 1poz s VAL 87 Ca 0.88 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1poz s VAL 87 Cb -0.39 -2.07 0.04 0.00 0.56 0.00 0.00 36.38 34.51 1poz s VAL 87 CO 0.39 -0.52 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.01 1poz s ILE 88 N -3.65 0.71 0.80 -0.62 1.01 0.30 -1.89 121.20 117.86 1poz s ILE 88 Ca 0.23 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 1poz s ILE 88 Cb 0.06 -0.92 0.07 0.00 0.01 0.00 0.00 42.46 41.68 1poz s ILE 88 CO 0.03 0.15 1.16 -2.16 0.00 0.00 0.00 174.94 174.12 1poz s PRO 89 N 1.81 2.09 0.00 2.79 0.04 -1.20 -2.53 135.00 138.00 1poz s PRO 89 Ca 0.03 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1poz s PRO 89 Cb -0.14 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1poz s PRO 89 CO -0.07 -1.52 0.00 -2.13 0.04 0.00 0.00 177.00 173.32 1poz n ARG 90 N -3.29 0.00 0.00 4.56 3.00 -1.26 -4.65 116.66 115.03 1poz n ARG 90 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1poz n ARG 90 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 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 0.00 5.15 5.41 -1.26 -4.05 119.36 124.61 1poz n ILE 91 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1poz n ILE 91 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00 0.00 1.39 1.44 -1.26 -4.39 115.22 112.40 1poz n HIS 92 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1poz n HIS 92 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1poz n HIS 92 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1poz n PRO 93 N 0.00 0.00 -1.00 -1.40 -0.02 -1.26 -4.89 135.00 126.44 1poz n PRO 93 Ca 0.00 0.20 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1poz n PRO 93 Cb 0.00 -0.86 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 1poz n PRO 93 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1poz n ASN 94 N -1.10 -0.99 -2.40 2.55 0.23 -1.26 -5.09 115.26 107.20 1poz n ASN 94 Ca 0.00 -1.99 -0.04 0.00 -0.53 0.00 0.00 54.58 52.01 1poz n ASN 94 Cb 0.00 0.30 -0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1poz n ASN 94 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1poz n SER 95 N 0.00 -1.50 0.00 0.53 2.88 -1.26 -5.06 113.62 109.20 1poz n SER 95 Ca -0.28 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1poz n SER 95 Cb 0.70 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.50 1poz n SER 95 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1poz n ILE 96 N 1.48 0.00 -0.67 2.46 2.08 -1.26 -4.88 119.36 118.57 1poz n ILE 96 Ca -0.32 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 62.69 1poz n ILE 96 Cb 0.50 -0.40 0.20 0.00 -0.75 0.00 0.00 39.64 39.19 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1poz n ALA 98 N -4.50 0.00 -3.65 0.00 0.00 -1.26 -3.13 120.51 107.97 1poz n ALA 98 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 1poz n ALA 98 Cb 0.53 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 1poz n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 99 N 1.00 -1.14 -3.00 0.00 0.00 -1.09 -4.84 120.51 111.44 1poz n ALA 99 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1poz n ALA 99 Cb 0.11 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.32 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 -2.46 0.00 -3.35 0.00 5.15 -1.18 -5.07 115.26 108.34 1poz n ASN 100 Ca 0.02 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.69 1poz n ASN 100 Cb 0.53 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.06 1poz n ASN 100 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1poz s ASN 101 N 2.00 -1.06 0.26 1.20 3.84 -1.26 -4.08 114.94 115.85 1poz s ASN 101 Ca 0.00 0.75 0.10 0.00 0.21 0.00 0.00 52.86 53.91 1poz s ASN 101 Cb 0.00 -1.02 -0.04 0.00 -0.55 0.00 0.00 41.25 39.63 1poz s ASN 101 CO 0.00 -5.35 -0.03 0.28 -2.79 0.00 0.00 177.10 169.21 1poz s THR 102 N -2.36 3.35 0.00 -5.21 -1.32 -1.26 -4.83 115.64 104.01 1poz s THR 102 Ca 0.69 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1poz s THR 102 Cb -0.11 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1poz s THR 102 CO 0.57 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1poz n GLY 103 N -0.82 1.37 2.48 6.08 0.00 -1.26 -4.83 105.19 108.21 1poz n GLY 103 Ca -0.06 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 2.54 -2.20 1.61 0.24 -1.26 -3.25 118.33 116.01 1poz n VAL 104 Ca 0.00 -5.26 -0.42 0.00 -2.04 0.00 0.00 64.34 56.62 1poz n VAL 104 Cb 0.00 -2.10 -0.02 0.00 -1.47 0.00 0.00 33.84 30.24 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1poz s TYR 105 N -2.46 2.10 0.33 6.34 5.04 -1.05 -4.63 117.35 123.03 1poz s TYR 105 Ca 0.39 0.64 -0.18 0.00 -2.44 0.00 0.00 57.07 55.48 1poz s TYR 105 Cb 0.13 -4.24 -0.09 0.00 0.35 0.00 0.00 41.96 38.12 1poz s TYR 105 CO -0.01 -2.38 0.79 0.42 -1.34 0.00 0.00 175.55 173.04 1poz s ILE 106 N 6.35 4.57 1.10 3.14 -1.09 -1.25 -0.54 121.20 133.47 1poz s ILE 106 Ca 0.68 1.17 -0.18 0.00 -2.23 0.00 0.00 60.65 60.09 1poz s ILE 106 Cb -0.17 -3.67 0.25 0.00 -1.58 0.00 0.00 42.46 37.30 1poz s ILE 106 CO 0.31 -0.14 1.23 -0.22 -1.23 0.00 0.00 174.94 174.90 1poz s LEU 107 N -2.82 1.73 0.02 2.97 0.20 -1.09 -4.98 118.68 114.71 1poz s LEU 107 Ca 0.54 0.37 -0.17 0.00 0.69 0.00 0.00 54.13 55.57 1poz s LEU 107 Cb -0.11 -2.22 -0.36 0.00 -0.43 0.00 0.00 46.19 43.07 1poz s LEU 107 CO 0.17 -3.49 0.99 0.71 -0.29 0.00 0.00 176.35 174.44 1poz h THR 108 N -2.16 1.30 -3.89 3.68 1.35 -1.97 -3.46 112.91 107.75 1poz h THR 108 Ca -0.44 -2.68 -0.44 0.00 -0.55 0.00 0.00 66.41 62.30 1poz h THR 108 Cb 1.25 3.06 0.16 0.00 -1.73 0.00 0.00 68.15 70.90 1poz h THR 108 CO 0.33 0.80 0.24 -0.55 -0.25 0.00 0.00 175.52 176.10 1poz s SER 109 N -7.54 2.40 0.00 5.36 0.15 -1.26 -5.03 113.70 107.78 1poz s SER 109 Ca -0.09 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1poz s SER 109 Cb 0.04 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1poz s SER 109 CO 0.94 -3.22 0.00 0.59 1.20 0.00 0.00 173.24 172.75 1poz n ASN 110 N -4.18 0.61 -4.65 5.45 3.02 -1.26 -4.97 115.26 109.28 1poz n ASN 110 Ca 0.10 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 1poz n ASN 110 Cb 0.59 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.80 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 -2.70 3.45 -1.64 3.41 -1.04 -1.26 -4.83 114.28 109.68 1poz n THR 111 Ca 0.00 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.05 61.00 1poz n THR 111 Cb 0.34 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.49 1poz n THR 111 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1poz n SER 112 N -0.55 2.26 0.00 8.00 7.64 -1.26 -4.80 113.62 124.90 1poz n SER 112 Ca 0.12 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1poz n SER 112 Cb 0.45 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 3.60 0.00 0.00 1.43 7.27 -0.06 -4.64 117.38 124.97 1poz n GLN 113 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1poz n GLN 113 Cb 0.21 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.86 1poz n GLN 113 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1poz n TYR 114 N 0.00 0.00 -2.33 3.69 4.02 -1.16 -3.34 117.16 118.05 1poz n TYR 114 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1poz n TYR 114 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1poz n TYR 114 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1poz n ASP 115 N 0.00 0.00 -3.69 7.72 8.00 -0.52 -2.34 116.55 125.73 1poz n ASP 115 Ca 0.00 -0.56 -0.14 0.00 0.71 0.00 0.00 54.79 54.80 1poz n ASP 115 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 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 1.20 -0.00 0.29 -3.53 -1.32 -0.57 0.25 115.64 111.97 1poz s THR 116 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1poz s THR 116 Cb 0.00 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1poz s THR 116 CO 0.00 0.00 0.02 -0.31 -2.21 0.00 0.00 174.62 172.12 1poz s TYR 117 N 0.30 2.66 -0.29 9.09 1.51 -0.88 0.58 117.35 130.32 1poz s TYR 117 Ca -0.00 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 1poz s TYR 117 Cb -0.04 -1.31 0.14 0.00 -0.11 0.00 0.00 41.96 40.64 1poz s TYR 117 CO 0.01 0.55 0.94 0.00 -1.11 0.00 0.00 175.55 175.94 1poz s PHE 119 N 1.57 3.00 -0.17 0.00 2.19 -1.13 -0.85 117.98 122.59 1poz s PHE 119 Ca -0.08 -0.13 -0.15 0.00 0.33 0.00 0.00 56.93 56.90 1poz s PHE 119 Cb -0.04 -3.59 -0.04 0.00 -1.31 0.00 0.00 43.02 38.04 1poz s PHE 119 CO -0.16 -1.02 0.34 0.54 1.83 0.00 0.00 175.22 176.76 1poz s ASN 120 N 2.35 6.45 0.64 6.13 4.22 -0.86 -2.00 114.94 131.87 1poz s ASN 120 Ca 0.23 0.53 0.37 0.00 -2.14 0.00 0.00 52.86 51.86 1poz s ASN 120 Cb -0.15 -2.21 2.11 0.00 1.28 0.00 0.00 41.25 42.29 1poz s ASN 120 CO 0.18 0.03 2.28 0.00 -2.04 0.00 0.00 177.10 177.55 1poz h ALA 121 N 6.96 1.28 -0.68 3.54 0.00 -1.48 -1.15 119.26 127.72 1poz h ALA 121 Ca -0.39 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1poz h ALA 121 Cb 1.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1poz h ALA 121 CO 0.74 -0.05 0.41 0.77 0.00 0.00 0.00 179.25 181.11 1poz h SER 122 N 0.00 0.65 -3.49 0.00 0.02 -1.81 -3.39 113.55 105.54 1poz h SER 122 Ca 0.01 0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.36 1poz h SER 122 Cb 0.09 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 62.39 1poz h SER 122 CO -0.00 0.44 0.14 0.00 -1.14 0.00 0.00 176.83 176.26 1poz s ALA 123 N -6.11 3.60 1.10 3.77 0.00 -0.44 -5.07 121.76 118.63 1poz s ALA 123 Ca -0.13 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 1poz s ALA 123 Cb 0.15 -3.01 0.24 0.00 0.00 0.00 0.00 23.12 20.51 1poz s ALA 123 CO 0.76 -0.78 1.11 -1.25 0.00 0.00 0.00 175.76 175.60 1poz s PRO 124 N 2.43 -0.43 -1.11 0.00 0.04 -1.26 -4.11 135.00 130.56 1poz s PRO 124 Ca 0.26 0.19 -0.24 0.00 0.04 0.00 0.00 61.00 61.24 1poz s PRO 124 Cb -0.16 -1.67 -0.15 0.00 0.04 0.00 0.00 34.50 32.56 1poz s PRO 124 CO 0.09 -3.23 1.99 -0.35 0.04 0.00 0.00 177.00 175.54 1poz n PRO 125 N -4.47 1.00 0.00 0.56 -0.04 -1.24 -1.44 135.00 129.37 1poz n PRO 125 Ca 0.09 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1poz n PRO 125 Cb 0.58 -3.76 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 8.17 0.00 -2.66 0.54 2.13 -1.17 -4.82 120.64 122.83 1poz n GLU 126 Ca 0.44 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.83 1poz n GLU 126 Cb 0.46 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.15 1poz n GLU 126 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1poz s GLU 127 N -2.00 4.16 -0.15 5.31 2.02 -1.26 0.30 118.70 127.07 1poz s GLU 127 Ca 0.00 1.19 -0.08 0.00 0.02 0.00 0.00 54.97 56.10 1poz s GLU 127 Cb 0.00 -3.69 0.06 0.00 0.10 0.00 0.00 34.13 30.60 1poz s GLU 127 CO 0.00 -0.76 0.35 -0.51 0.02 0.00 0.00 175.26 174.36 1poz s ASP 128 N 1.44 -0.36 -0.27 -0.19 1.01 -0.91 -4.84 116.67 112.54 1poz s ASP 128 Ca 0.44 0.77 0.11 0.00 0.71 0.00 0.00 52.55 54.58 1poz s ASP 128 Cb -0.14 0.70 0.75 0.00 1.01 0.00 0.00 42.92 45.24 1poz s ASP 128 CO 0.11 -0.19 1.73 0.00 0.21 0.00 0.00 175.17 177.03 1poz n THR 130 N 0.21 1.44 -1.55 0.00 -1.04 -1.26 -4.62 114.28 107.46 1poz n THR 130 Ca 0.34 -0.36 -0.28 0.00 -2.04 0.00 0.00 64.05 61.70 1poz n THR 130 Cb 1.26 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.72 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 1.64 1.90 -0.67 8.00 3.41 -1.26 -4.76 113.62 121.88 1poz n SER 131 Ca 0.16 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1poz n SER 131 Cb 0.19 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 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 8.16 0.33 0.11 -3.33 0.31 -1.26 -4.19 118.33 118.46 1poz n VAL 132 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 1poz n VAL 132 Cb 0.47 -0.66 0.01 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.18 0.00 0.00 2.52 5.66 -1.26 -3.39 114.28 118.00 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 0.33 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 1poz n THR 133 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1poz n ASP 134 N -0.61 0.00 -3.54 1.09 -0.08 -1.26 -4.54 116.55 107.61 1poz n ASP 134 Ca 0.00 0.19 -0.26 0.00 -1.51 0.00 0.00 54.79 53.21 1poz n ASP 134 Cb 0.00 -0.10 0.02 0.00 2.34 0.00 0.00 41.12 43.37 1poz n ASP 134 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1poz n LEU 135 N -0.81 -2.16 0.00 -2.67 4.32 -1.22 -4.81 117.00 109.65 1poz n LEU 135 Ca 0.00 -0.54 0.03 0.00 -0.02 0.00 0.00 56.01 55.48 1poz n LEU 135 Cb 0.00 -2.45 0.15 0.00 -1.62 0.00 0.00 43.42 39.50 1poz n LEU 135 CO 0.00 0.30 0.53 -0.81 -1.22 0.00 0.00 177.39 176.19 1poz n PRO 136 N -4.19 0.08 0.21 3.23 -0.04 -0.80 -2.07 135.00 131.42 1poz n PRO 136 Ca -0.01 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1poz n PRO 136 Cb 0.55 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.66 1poz n PRO 136 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1poz h ASN 137 N 0.00 0.00 -0.25 3.54 -0.26 0.43 -3.46 115.58 115.59 1poz h ASN 137 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1poz h ASN 137 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1poz h ASN 137 CO 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 177.43 176.39 1poz n ALA 138 N -2.11 0.00 -2.52 -0.83 0.00 -0.88 -4.75 120.51 109.41 1poz n ALA 138 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1poz n ALA 138 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.22 1.68 -0.03 0.00 -0.71 -1.22 -4.91 117.98 112.57 1poz s PHE 139 Ca 0.00 -0.89 -0.30 0.00 -1.04 0.00 0.00 56.93 54.70 1poz s PHE 139 Cb 0.00 -1.80 -0.03 0.00 -1.21 0.00 0.00 43.02 39.98 1poz s PHE 139 CO 0.00 -0.25 1.04 0.34 -1.34 0.00 0.00 175.22 175.01 1poz s ASP 140 N -4.15 7.26 0.00 1.98 2.15 -1.26 -2.65 116.67 120.00 1poz s ASP 140 Ca 0.24 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.91 1poz s ASP 140 Cb -0.01 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1poz s ASP 140 CO 0.15 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 1poz n GLY 141 N 3.04 2.02 1.40 2.66 0.00 -1.11 -4.81 105.19 108.41 1poz n GLY 141 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.39 0.56 -2.46 1.61 -0.02 -1.25 -2.69 135.00 130.37 1poz n PRO 142 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1poz n PRO 142 Cb 0.00 -1.22 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1poz n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1poz s ILE 143 N 0.68 3.82 -1.02 4.25 -1.09 -0.90 -4.36 121.20 122.57 1poz s ILE 143 Ca 0.00 -0.64 -0.24 0.00 -2.23 0.00 0.00 60.65 57.54 1poz s ILE 143 Cb 0.00 -4.84 -0.16 0.00 -1.58 0.00 0.00 42.46 35.88 1poz s ILE 143 CO 0.00 -1.74 1.95 0.41 -1.23 0.00 0.00 174.94 174.34 1poz n THR 144 N 7.07 1.26 -2.73 2.92 -1.04 -0.47 -0.47 114.28 120.81 1poz n THR 144 Ca 0.33 -1.27 -0.41 0.00 -2.04 0.00 0.00 64.05 60.66 1poz n THR 144 Cb 0.50 -2.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.83 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 11.66 4.47 -0.16 12.58 1.01 0.45 -2.40 121.20 148.81 1poz s ILE 145 Ca 0.71 2.07 -0.00 0.00 0.00 0.00 0.00 60.65 63.42 1poz s ILE 145 Cb 0.01 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 1poz s ILE 145 CO 0.16 0.33 -0.14 -0.89 0.00 0.00 0.00 174.94 174.41 1poz s THR 146 N -0.08 2.75 -0.52 2.92 2.01 -0.62 -0.54 115.64 121.55 1poz s THR 146 Ca 0.46 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 1poz s THR 146 Cb -0.23 -2.17 0.11 0.00 0.01 0.00 0.00 72.50 70.21 1poz s THR 146 CO 0.30 0.51 0.49 0.27 -0.69 0.00 0.00 174.62 175.49 1poz s ILE 147 N 0.90 5.18 -0.56 1.82 -0.00 -0.75 -0.91 121.20 126.87 1poz s ILE 147 Ca -0.03 -1.29 -0.21 0.00 -0.00 0.00 0.00 60.65 59.11 1poz s ILE 147 Cb -0.15 -4.28 0.06 0.00 -0.00 0.00 0.00 42.46 38.09 1poz s ILE 147 CO -0.01 -0.80 0.80 0.68 -0.00 0.00 0.00 174.94 175.62 1poz s VAL 148 N 1.73 4.60 0.36 8.37 -7.23 0.93 -2.43 120.40 126.73 1poz s VAL 148 Ca 0.04 -0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.71 1poz s VAL 148 Cb -0.27 -4.47 -0.10 0.00 0.56 0.00 0.00 36.38 32.09 1poz s VAL 148 CO 0.05 -1.07 0.95 0.20 -0.31 0.00 0.00 175.10 174.92 1poz s ASN 149 N 3.03 7.19 0.00 4.85 0.02 0.25 0.05 114.94 130.33 1poz s ASN 149 Ca 0.21 1.79 0.00 0.00 -1.02 0.00 0.00 52.86 53.84 1poz s ASN 149 Cb -0.17 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.53 1poz s ASN 149 CO 0.13 -0.18 0.55 0.54 0.02 0.00 0.00 177.10 178.17 1poz n ARG 150 N 0.14 0.00 -0.45 -0.60 5.12 0.14 -0.44 116.66 120.58 1poz n ARG 150 Ca 0.04 0.11 0.07 0.00 -1.93 0.00 0.00 57.85 56.14 1poz n ARG 150 Cb 0.51 -1.52 0.27 0.00 -1.16 0.00 0.00 32.46 30.56 1poz n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1poz n ASP 151 N -1.05 3.63 -0.77 0.55 -0.08 -1.26 -4.89 116.55 112.67 1poz n ASP 151 Ca 0.00 -2.29 -0.06 0.00 -1.51 0.00 0.00 54.79 50.93 1poz n ASP 151 Cb 0.02 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.00 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 1.00 0.25 3.62 0.27 0.00 0.41 -5.05 105.19 105.69 1poz n GLY 152 Ca 0.19 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.46 3.40 -0.25 2.61 -4.23 -1.05 -4.96 115.64 108.70 1poz s THR 153 Ca 0.04 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1poz s THR 153 Cb -0.02 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.21 1poz s THR 153 CO 0.04 -0.23 0.45 0.00 -0.54 0.00 0.00 174.62 174.35 1poz s ARG 154 N -3.22 0.40 0.30 3.99 1.70 -1.25 -0.58 118.95 120.29 1poz s ARG 154 Ca 0.28 0.82 0.08 0.00 -0.47 0.00 0.00 55.73 56.44 1poz s ARG 154 Cb -0.08 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.29 1poz s ARG 154 CO 0.18 -0.50 0.21 0.71 -1.08 0.00 0.00 175.30 174.82 1poz s TYR 155 N 2.65 2.93 -0.08 5.89 2.02 -1.02 -4.91 117.35 124.83 1poz s TYR 155 Ca 0.09 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1poz s TYR 155 Cb -0.14 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1poz s TYR 155 CO -0.16 0.36 -0.15 0.54 -1.57 0.00 0.00 175.55 174.57 1poz s VAL 156 N -2.26 1.38 0.15 0.71 0.11 -1.26 -1.82 120.40 117.41 1poz s VAL 156 Ca 0.37 -0.61 -0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1poz s VAL 156 Cb -0.06 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1poz s VAL 156 CO 0.25 0.41 0.28 -1.58 -3.33 0.00 0.00 175.10 171.13 1poz s GLN 157 N 0.70 1.10 -0.16 1.54 -0.44 0.30 -4.99 119.66 117.70 1poz s GLN 157 Ca -0.13 -1.09 -0.01 0.00 -2.50 0.00 0.00 55.36 51.62 1poz s GLN 157 Cb -0.16 0.38 -0.01 0.00 -1.64 0.00 0.00 33.01 31.58 1poz s GLN 157 CO 0.03 -0.40 -0.10 0.21 0.50 0.00 0.00 175.29 175.53 1poz s LYS 158 N -3.93 3.36 0.00 1.67 2.20 -1.25 0.17 119.74 121.96 1poz s LYS 158 Ca 0.14 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1poz s LYS 158 Cb 0.03 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1poz s LYS 158 CO -0.03 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 1poz n GLY 159 N 4.02 4.29 3.15 5.54 0.00 0.38 -4.81 105.19 117.75 1poz n GLY 159 Ca -0.18 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 4.45 0.46 0.00 1.61 0.41 -1.08 -2.12 118.70 122.43 1poz s GLU 160 Ca 0.00 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 1poz s GLU 160 Cb 0.00 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.62 1poz s GLU 160 CO 0.00 -0.77 0.31 0.66 -0.49 0.00 0.00 175.26 174.97 1poz n TYR 161 N 5.37 0.00 -1.03 1.61 4.02 -1.26 -3.45 117.16 122.42 1poz n TYR 161 Ca 0.04 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.78 1poz n TYR 161 Cb 0.54 -0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.71 1poz n TYR 161 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1poz n ARG 162 N -0.00 2.17 0.00 -0.72 0.63 -1.26 -4.44 116.66 113.04 1poz n ARG 162 Ca 0.00 -1.12 0.12 0.00 -0.92 0.00 0.00 57.85 55.93 1poz n ARG 162 Cb 0.40 -2.08 0.72 0.00 0.45 0.00 0.00 32.46 31.96 1poz n ARG 162 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1poz n THR 163 N 2.61 0.00 -3.23 5.15 -2.24 -1.26 -4.05 114.28 111.27 1poz n THR 163 Ca 0.47 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 62.01 1poz n THR 163 Cb 0.85 -0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1poz n ASN 164 N -0.93 -0.15 0.20 3.42 4.05 -1.26 -4.94 115.26 115.65 1poz n ASN 164 Ca 0.18 -2.62 0.14 0.00 0.45 0.00 0.00 54.58 52.73 1poz n ASN 164 Cb 0.08 -0.51 0.41 0.00 1.23 0.00 0.00 39.78 41.00 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1poz h PRO 165 N 4.46 0.00 0.00 1.20 0.13 -1.96 -3.03 132.00 132.79 1poz h PRO 165 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1poz h PRO 165 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1poz h PRO 165 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1poz n GLU 166 N -2.82 0.18 0.00 0.86 1.02 -1.26 -2.24 120.64 116.38 1poz n GLU 166 Ca 0.03 0.32 0.14 0.00 -0.02 0.00 0.00 57.16 57.63 1poz n GLU 166 Cb 0.40 -1.79 0.59 0.00 -0.02 0.00 0.00 31.44 30.62 1poz n GLU 166 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1poz n ASP 167 N -2.11 0.98 -0.08 1.62 9.92 -1.14 -3.73 116.55 122.00 1poz n ASP 167 Ca 0.03 -1.14 -0.17 0.00 -0.53 0.00 0.00 54.79 52.99 1poz n ASP 167 Cb 0.28 0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.71 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1poz n ILE 168 N -0.37 0.98 -3.85 0.53 5.41 -0.95 -4.86 119.36 116.26 1poz n ILE 168 Ca 0.18 -0.18 -0.28 0.00 1.00 0.00 0.00 62.75 63.47 1poz n ILE 168 Cb 0.30 -1.77 -0.12 0.00 -0.71 0.00 0.00 39.64 37.34 1poz n ILE 168 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1poz n TYR 169 N -3.79 3.29 -2.35 1.39 4.01 -1.14 -5.08 117.16 113.48 1poz n TYR 169 Ca -0.30 -4.30 -0.42 0.00 -0.16 0.00 0.00 57.90 52.72 1poz n TYR 169 Cb 0.68 -0.62 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1poz n TYR 169 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1poz s PRO 170 N -1.58 4.36 0.32 -0.72 0.04 -1.24 -4.82 135.00 131.35 1poz s PRO 170 Ca 0.27 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1poz s PRO 170 Cb -0.02 -3.46 -0.12 0.00 0.04 0.00 0.00 34.50 30.94 1poz s PRO 170 CO -0.15 -0.41 1.44 -1.13 0.04 0.00 0.00 177.00 176.78 1poz n SER 171 N 4.67 3.28 -4.24 6.66 3.41 -1.26 -4.97 113.62 121.17 1poz n SER 171 Ca 0.11 1.18 -0.40 0.00 -0.26 0.00 0.00 58.87 59.50 1poz n SER 171 Cb 0.45 -1.53 -0.10 0.00 -0.26 0.00 0.00 64.21 62.77 1poz n SER 171 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1poz s ASN 172 N 0.06 5.62 0.20 4.04 0.01 -1.26 -5.07 114.94 118.54 1poz s ASN 172 Ca 0.60 -1.67 -0.31 0.00 -0.71 0.00 0.00 52.86 50.77 1poz s ASN 172 Cb -0.54 -1.98 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 1poz s ASN 172 CO 0.57 -0.59 1.48 -2.16 -1.51 0.00 0.00 177.10 174.89 1poz s PRO 173 N 1.38 4.26 -0.14 -0.60 0.04 -1.26 -4.93 135.00 133.74 1poz s PRO 173 Ca 0.04 2.29 -0.05 0.00 0.04 0.00 0.00 61.00 63.32 1poz s PRO 173 Cb -0.24 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 1poz s PRO 173 CO 0.01 -0.49 -0.17 2.41 0.04 0.00 0.00 177.00 178.80 1poz n THR 174 N 3.15 0.80 0.00 1.26 -1.04 -1.26 -5.06 114.28 112.13 1poz n THR 174 Ca 0.10 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1poz n THR 174 Cb 0.40 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 1poz n THR 174 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1poz n ASP 175 N -3.48 0.00 -4.73 8.00 -0.08 -1.26 -5.13 116.55 109.87 1poz n ASP 175 Ca -0.28 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.60 1poz n ASP 175 Cb 0.72 0.48 0.01 0.00 2.34 0.00 0.00 41.12 44.67 1poz n ASP 175 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1poz n ASP 176 N -2.49 2.98 -4.69 1.67 -0.08 -1.26 -4.88 116.55 107.80 1poz n ASP 176 Ca 0.00 1.12 -0.43 0.00 -1.51 0.00 0.00 54.79 53.97 1poz n ASP 176 Cb 0.00 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 41.87 1poz n ASP 176 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1poz n ASP 177 N 0.02 4.01 -0.89 1.67 5.75 -1.26 -5.01 116.55 120.84 1poz n ASP 177 Ca 0.06 1.00 0.11 0.00 -0.01 0.00 0.00 54.79 55.94 1poz n ASP 177 Cb 0.40 -1.54 0.09 0.00 -1.03 0.00 0.00 41.12 39.04 1poz n ASP 177 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61