#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g80 s TYR 19 N 0.00 3.37 -0.45 3.10 2.02 -1.26 -4.99 117.35 119.13 2g80 s TYR 19 Ca 0.00 1.45 0.22 0.00 -0.37 0.00 0.00 57.07 58.37 2g80 s TYR 19 Cb 0.00 -2.83 -0.26 0.00 -0.40 0.00 0.00 41.96 38.47 2g80 s TYR 19 CO 0.00 -0.58 0.69 -1.13 -1.57 0.00 0.00 175.55 172.97 2g80 n SER 20 N -1.85 0.44 -3.88 2.29 3.41 -1.01 -4.95 113.62 108.09 2g80 n SER 20 Ca 0.07 -0.40 -0.12 0.00 -0.26 0.00 0.00 58.87 58.17 2g80 n SER 20 Cb 0.54 1.50 -0.14 0.00 -0.26 0.00 0.00 64.21 65.85 2g80 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2g80 s THR 21 N -3.29 0.01 -0.07 6.66 2.01 -1.07 -4.18 115.64 115.70 2g80 s THR 21 Ca -0.01 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2g80 s THR 21 Cb 0.15 -0.04 0.01 0.00 0.01 0.00 0.00 72.50 72.63 2g80 s THR 21 CO 0.88 -0.05 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.31 2g80 s TYR 22 N -0.14 1.69 -0.14 4.92 1.51 -0.37 -1.72 117.35 123.11 2g80 s TYR 22 Ca -0.02 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2g80 s TYR 22 Cb -0.01 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 2g80 s TYR 22 CO -0.00 -0.31 -0.11 -1.17 -1.11 0.00 0.00 175.55 172.85 2g80 s LEU 23 N 0.60 2.80 -0.08 -1.29 2.96 -0.10 -1.03 118.68 122.54 2g80 s LEU 23 Ca -0.15 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2g80 s LEU 23 Cb -0.16 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.90 2g80 s LEU 23 CO 0.05 0.16 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.32 2g80 s LEU 24 N 0.40 1.78 0.63 -0.68 1.43 0.15 -1.33 118.68 121.06 2g80 s LEU 24 Ca -0.09 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 2g80 s LEU 24 Cb -0.16 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2g80 s LEU 24 CO 0.05 0.07 1.05 -0.62 0.23 0.00 0.00 176.35 177.13 2g80 s ASP 25 N 0.58 5.69 0.00 2.29 2.15 -0.50 -0.38 116.67 126.49 2g80 s ASP 25 Ca -0.16 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.53 2g80 s ASP 25 Cb -0.16 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2g80 s ASP 25 CO 0.05 -1.23 0.00 -0.38 -0.17 0.00 0.00 175.17 173.44 2g80 n ILE 26 N -2.48 0.00 -1.93 4.11 5.41 -1.26 -3.98 119.36 119.23 2g80 n ILE 26 Ca 0.08 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 2g80 n ILE 26 Cb 0.53 -0.70 -0.03 0.00 -0.71 0.00 0.00 39.64 38.74 2g80 n ILE 26 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2g80 s GLU 27 N 0.00 4.22 0.00 0.38 2.02 -1.26 -0.52 118.70 123.53 2g80 s GLU 27 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 54.97 57.36 2g80 s GLU 27 Cb 0.00 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2g80 s GLU 27 CO 0.00 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.12 2g80 n GLY 28 N 3.26 0.51 1.22 -1.39 0.00 0.06 -4.75 105.19 104.09 2g80 n GLY 28 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2g80 n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g80 n THR 29 N -2.33 0.62 0.06 2.61 -1.04 -0.70 -4.29 114.28 109.21 2g80 n THR 29 Ca 0.00 0.21 0.10 0.00 -2.04 0.00 0.00 64.05 62.32 2g80 n THR 29 Cb 0.08 -1.16 -0.16 0.00 -1.82 0.00 0.00 70.33 67.27 2g80 n THR 29 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2g80 n VAL 30 N -3.12 0.00 -4.07 12.58 0.24 0.32 -4.99 118.33 119.28 2g80 n VAL 30 Ca 0.00 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 2g80 n VAL 30 Cb 0.00 0.09 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 2g80 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g80 n PRO 32 N -0.16 0.84 0.15 0.00 -0.02 -1.26 -0.76 135.00 133.78 2g80 n PRO 32 Ca -0.06 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.87 2g80 n PRO 32 Cb 0.63 -1.74 0.70 0.00 -0.02 0.00 0.00 33.50 33.08 2g80 n PRO 32 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2g80 h ILE 33 N 2.51 0.79 -0.02 4.25 2.10 -1.88 -2.71 117.51 122.56 2g80 h ILE 33 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 2g80 h ILE 33 Cb 1.37 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 2g80 h ILE 33 CO 0.68 0.00 -0.04 -1.20 -1.08 0.00 0.00 178.15 176.51 2g80 n SER 34 N -4.33 1.64 -0.02 2.19 7.64 -1.26 -4.60 113.62 114.87 2g80 n SER 34 Ca 0.03 -1.49 -0.09 0.00 1.01 0.00 0.00 58.87 58.33 2g80 n SER 34 Cb 0.34 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 2g80 n SER 34 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2g80 h PHE 35 N 2.51 -0.55 0.13 1.43 3.57 -1.85 0.33 116.94 122.51 2g80 h PHE 35 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2g80 h PHE 35 Cb 0.57 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2g80 h PHE 35 CO 0.00 -0.29 -0.06 0.28 -2.23 0.00 0.00 178.31 176.01 2g80 h VAL 36 N -0.24 1.03 -0.47 1.41 2.07 -1.83 -0.34 116.25 117.87 2g80 h VAL 36 Ca 0.12 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 2g80 h VAL 36 Cb 0.42 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2g80 h VAL 36 CO -0.32 0.18 -0.15 0.11 0.02 0.00 0.00 177.57 177.41 2g80 h LYS 37 N -0.56 0.91 0.00 1.57 6.56 -1.81 -0.18 116.57 123.06 2g80 h LYS 37 Ca -0.02 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2g80 h LYS 37 Cb 0.44 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2g80 h LYS 37 CO 0.03 1.00 -1.01 0.39 -2.06 0.00 0.00 179.45 177.80 2g80 n GLU 38 N -4.13 1.12 0.02 3.15 1.02 0.11 -4.29 120.64 117.65 2g80 n GLU 38 Ca 0.01 -0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.10 2g80 n GLU 38 Cb 0.41 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 2g80 n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2g80 n THR 39 N -1.54 1.26 0.11 2.62 -1.04 -0.21 -4.63 114.28 110.84 2g80 n THR 39 Ca 0.02 0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 62.24 2g80 n THR 39 Cb 0.31 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 67.01 2g80 n THR 39 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2g80 h LEU 40 N -0.19 -0.21 0.21 -4.42 3.38 -1.14 -1.38 115.31 111.57 2g80 h LEU 40 Ca -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2g80 h LEU 40 Cb 0.22 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2g80 h LEU 40 CO -0.00 -0.02 -0.17 -0.26 0.09 0.00 0.00 178.44 178.07 2g80 h PHE 41 N -0.38 -0.45 -0.76 1.13 -1.00 -1.21 -2.30 116.94 111.96 2g80 h PHE 41 Ca -0.02 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.84 2g80 h PHE 41 Cb 0.30 0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.98 2g80 h PHE 41 CO -0.02 -0.26 0.50 -1.35 -1.61 0.00 0.00 178.31 175.56 2g80 h PRO 42 N -0.40 0.69 -0.50 1.51 0.11 -1.75 -1.52 132.00 130.15 2g80 h PRO 42 Ca -0.01 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.14 2g80 h PRO 42 Cb 0.36 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.24 2g80 h PRO 42 CO -0.02 0.46 0.13 -0.92 -0.21 0.00 0.00 178.00 177.44 2g80 h TYR 43 N 0.71 0.21 0.36 0.65 3.20 -0.87 0.11 116.97 121.35 2g80 h TYR 43 Ca 0.34 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 2g80 h TYR 43 Cb 0.39 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2g80 h TYR 43 CO -0.00 0.03 -0.17 0.35 -1.64 0.00 0.00 178.16 176.73 2g80 h PHE 44 N 0.27 -0.44 -0.96 -3.82 3.57 -0.77 -2.70 116.94 112.09 2g80 h PHE 44 Ca 0.25 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 2g80 h PHE 44 Cb 0.31 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2g80 h PHE 44 CO -0.20 -0.18 0.63 1.79 -2.23 0.00 0.00 178.31 178.12 2g80 h THR 45 N -0.65 1.25 0.00 4.41 1.35 -1.10 -1.54 112.91 116.63 2g80 h THR 45 Ca -0.05 -0.48 -0.05 0.00 -0.55 0.00 0.00 66.41 65.28 2g80 h THR 45 Cb 0.47 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.72 2g80 h THR 45 CO 0.08 0.25 -0.24 0.78 -0.25 0.00 0.00 175.52 176.13 2g80 h ASN 46 N 1.31 0.00 0.84 5.36 2.35 -0.81 -2.99 115.58 121.64 2g80 h ASN 46 Ca 0.35 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.98 2g80 h ASN 46 Cb -0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2g80 h ASN 46 CO -0.07 0.24 -0.59 0.11 -1.65 0.00 0.00 177.43 175.47 2g80 h LYS 47 N 0.00 0.00 -0.53 0.81 1.79 -0.94 -3.39 116.57 114.30 2g80 h LYS 47 Ca -0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 2g80 h LYS 47 Cb 0.43 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.98 2g80 h LYS 47 CO 0.03 0.59 -0.14 0.28 -1.08 0.00 0.00 179.45 179.13 2g80 h VAL 48 N 0.00 0.45 -0.47 0.50 2.07 -1.30 -2.35 116.25 115.15 2g80 h VAL 48 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2g80 h VAL 48 Cb 1.17 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 2g80 h VAL 48 CO 0.08 0.00 -0.07 -0.65 0.02 0.00 0.00 177.57 176.95 2g80 h PRO 49 N -0.01 0.04 -0.22 1.57 0.11 -1.78 -0.75 132.00 130.97 2g80 h PRO 49 Ca 0.26 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 2g80 h PRO 49 Cb 0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2g80 h PRO 49 CO -0.55 0.03 -0.44 -0.56 -0.21 0.00 0.00 178.00 176.26 2g80 h GLN 50 N 0.04 0.53 -0.53 1.05 3.07 -1.74 0.19 115.11 117.73 2g80 h GLN 50 Ca 0.23 -0.28 -0.10 0.00 0.09 0.00 0.00 58.65 58.59 2g80 h GLN 50 Cb 0.35 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 2g80 h GLN 50 CO -0.45 0.87 -0.05 -0.07 0.09 0.00 0.00 178.83 179.22 2g80 h LEU 51 N 0.43 0.93 0.04 0.06 3.38 -1.04 -0.84 115.31 118.27 2g80 h LEU 51 Ca 0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2g80 h LEU 51 Cb 0.94 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2g80 h LEU 51 CO 0.08 1.01 -0.02 0.58 0.09 0.00 0.00 178.44 180.19 2g80 h VAL 52 N 0.86 1.35 -0.24 1.22 2.07 -1.00 -3.19 116.25 117.31 2g80 h VAL 52 Ca 0.15 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 2g80 h VAL 52 Cb 0.58 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2g80 h VAL 52 CO 0.03 0.38 -0.28 1.56 0.02 0.00 0.00 177.57 179.29 2g80 h GLN 53 N -0.80 0.47 -0.64 1.57 1.08 -0.63 -2.97 115.11 113.18 2g80 h GLN 53 Ca -0.01 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2g80 h GLN 53 Cb 0.67 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2g80 h GLN 53 CO 0.01 0.71 0.00 1.04 -0.95 0.00 0.00 178.83 179.64 2g80 n GLN 54 N -4.10 3.52 -2.46 1.46 6.02 -0.32 -4.97 117.38 116.52 2g80 n GLN 54 Ca -0.01 -2.58 -0.42 0.00 -0.01 0.00 0.00 57.00 53.98 2g80 n GLN 54 Cb 0.42 -1.86 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 2g80 n GLN 54 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2g80 s ASP 55 N -0.84 7.09 0.27 1.08 2.15 -1.12 -4.95 116.67 120.34 2g80 s ASP 55 Ca 0.46 1.90 0.03 0.00 0.43 0.00 0.00 52.55 55.37 2g80 s ASP 55 Cb 0.30 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 2g80 s ASP 55 CO 0.22 -0.50 0.19 0.42 -0.17 0.00 0.00 175.17 175.33 2g80 s THR 56 N 1.56 0.04 0.55 1.71 -4.23 -1.26 -5.05 115.64 108.97 2g80 s THR 56 Ca 0.57 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.35 2g80 s THR 56 Cb -0.27 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.46 2g80 s THR 56 CO 0.26 0.00 2.00 0.08 -0.54 0.00 0.00 174.62 176.42 2g80 h ARG 57 N 2.38 0.00 0.00 3.99 -0.00 -1.96 -2.50 114.38 116.28 2g80 h ARG 57 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2g80 h ARG 57 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2g80 h ARG 57 CO 0.46 0.00 0.00 -0.40 -0.00 0.00 0.00 179.97 180.03 2g80 n ASP 58 N -4.13 0.70 -4.76 0.08 5.75 -1.26 -4.83 116.55 108.10 2g80 n ASP 58 Ca 0.08 0.62 -0.41 0.00 -0.01 0.00 0.00 54.79 55.07 2g80 n ASP 58 Cb 0.55 -0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 2g80 n ASP 58 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2g80 s SER 59 N -4.31 7.00 0.58 -1.12 0.15 -0.94 -4.94 113.70 110.11 2g80 s SER 59 Ca 0.07 2.46 0.35 0.00 0.70 0.00 0.00 55.95 59.53 2g80 s SER 59 Cb 0.11 -2.63 1.70 0.00 -1.71 0.00 0.00 66.02 63.49 2g80 s SER 59 CO 0.47 -0.38 2.12 1.55 1.20 0.00 0.00 173.24 178.21 2g80 h PRO 60 N 4.00 0.00 0.00 5.44 0.13 -1.90 -2.97 132.00 136.70 2g80 h PRO 60 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2g80 h PRO 60 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2g80 h PRO 60 CO 0.69 0.04 -0.60 1.33 -0.23 0.00 0.00 178.00 179.22 2g80 n VAL 61 N -3.24 0.30 -0.21 1.56 0.24 -1.26 -4.36 118.33 111.37 2g80 n VAL 61 Ca -0.01 -0.23 0.02 0.00 -2.04 0.00 0.00 64.34 62.07 2g80 n VAL 61 Cb 0.22 -0.09 0.12 0.00 -1.47 0.00 0.00 33.84 32.63 2g80 n VAL 61 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2g80 h SER 62 N 0.00 -0.03 -0.85 -1.34 0.87 -1.76 0.30 113.55 110.73 2g80 h SER 62 Ca 0.00 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2g80 h SER 62 Cb 0.71 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 2g80 h SER 62 CO 0.00 -0.02 0.42 0.78 -0.53 0.00 0.00 176.83 177.49 2g80 h ASN 63 N 0.24 1.11 0.08 6.23 2.35 -1.77 -1.29 115.58 122.52 2g80 h ASN 63 Ca 0.34 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2g80 h ASN 63 Cb 0.52 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2g80 h ASN 63 CO -0.44 0.92 -0.04 0.40 -1.65 0.00 0.00 177.43 176.62 2g80 h ILE 64 N 1.22 1.18 -0.82 2.81 2.04 -1.57 -3.30 117.51 119.06 2g80 h ILE 64 Ca 0.30 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 65.25 2g80 h ILE 64 Cb 0.10 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2g80 h ILE 64 CO -0.04 0.25 0.54 -0.07 0.00 0.00 0.00 178.15 178.82 2g80 h LEU 65 N -0.58 0.65 -2.13 1.44 3.38 -0.38 -2.00 115.31 115.70 2g80 h LEU 65 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2g80 h LEU 65 Cb 0.49 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2g80 h LEU 65 CO 0.02 0.37 -0.07 0.77 0.09 0.00 0.00 178.44 179.62 2g80 h SER 66 N 0.71 0.00 0.52 -0.43 4.64 -1.31 -2.53 113.55 115.15 2g80 h SER 66 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2g80 h SER 66 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2g80 h SER 66 CO -0.16 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 2g80 n GLN 67 N -3.88 0.16 0.22 4.77 1.13 -0.75 -1.66 117.38 117.37 2g80 n GLN 67 Ca -0.02 0.12 0.11 0.00 -1.94 0.00 0.00 57.00 55.27 2g80 n GLN 67 Cb 0.16 -1.50 0.31 0.00 0.11 0.00 0.00 30.24 29.32 2g80 n GLN 67 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 2g80 h PHE 68 N 0.00 0.00 -3.83 1.08 0.04 -1.59 -3.48 116.94 109.16 2g80 h PHE 68 Ca 0.00 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.37 2g80 h PHE 68 Cb 0.26 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.44 2g80 h PHE 68 CO 0.00 0.12 -0.57 0.72 -0.60 0.00 0.00 178.31 177.99 2g80 n HIS 69 N -3.17 -1.58 -4.07 -0.55 8.25 -0.66 -5.00 115.22 108.44 2g80 n HIS 69 Ca 0.02 0.33 -0.32 0.00 -0.26 0.00 0.00 57.72 57.49 2g80 n HIS 69 Cb 0.50 -4.24 -0.15 0.00 1.12 0.00 0.00 29.99 27.22 2g80 n HIS 69 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2g80 s ILE 70 N -3.11 2.02 -0.07 1.59 1.01 -1.26 -5.02 121.20 116.36 2g80 s ILE 70 Ca 0.19 -1.32 0.14 0.00 0.00 0.00 0.00 60.65 59.66 2g80 s ILE 70 Cb -0.08 -2.05 -0.15 0.00 0.01 0.00 0.00 42.46 40.19 2g80 s ILE 70 CO 0.23 0.16 0.90 0.44 0.00 0.00 0.00 174.94 176.68 2g80 h ASP 71 N 7.86 0.00 -2.92 3.58 3.32 -1.97 -3.45 116.42 122.84 2g80 h ASP 71 Ca -0.28 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.21 2g80 h ASP 71 Cb 1.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 2g80 h ASP 71 CO 0.51 0.75 1.02 0.21 -1.72 0.00 0.00 179.24 180.01 2g80 s ASN 72 N -6.07 6.63 0.21 6.45 3.84 -1.26 -4.90 114.94 119.85 2g80 s ASN 72 Ca -0.02 1.54 -0.09 0.00 0.21 0.00 0.00 52.86 54.50 2g80 s ASN 72 Cb 0.08 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.41 2g80 s ASN 72 CO 0.81 -1.06 1.83 0.11 -2.79 0.00 0.00 177.10 176.00 2g80 h LYS 73 N 9.55 1.12 -0.56 0.43 1.57 -1.94 0.59 116.57 127.32 2g80 h LYS 73 Ca -0.30 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 2g80 h LYS 73 Cb 1.12 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2g80 h LYS 73 CO 1.00 0.83 0.08 1.49 -0.57 0.00 0.00 179.45 182.29 2g80 h GLU 74 N 1.11 0.90 -0.28 3.15 4.57 -1.97 -1.80 114.58 120.26 2g80 h GLU 74 Ca 0.28 -0.22 -0.16 0.00 -1.18 0.00 0.00 59.36 58.08 2g80 h GLU 74 Cb 0.05 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2g80 h GLU 74 CO -0.04 0.85 -0.48 0.37 -1.18 0.00 0.00 179.01 178.52 2g80 h GLN 75 N 0.86 0.76 -0.26 1.92 4.15 -1.89 -3.05 115.11 117.59 2g80 h GLN 75 Ca 0.18 -0.44 -0.05 0.00 0.77 0.00 0.00 58.65 59.11 2g80 h GLN 75 Cb 0.39 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2g80 h GLN 75 CO 0.01 1.07 -0.01 1.25 -1.93 0.00 0.00 178.83 179.21 2g80 h LEU 76 N 0.60 0.47 0.01 -2.39 5.85 -0.67 -1.75 115.31 117.43 2g80 h LEU 76 Ca 0.03 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.45 2g80 h LEU 76 Cb 1.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2g80 h LEU 76 CO 0.10 0.68 -0.16 -0.61 -0.34 0.00 0.00 178.44 178.11 2g80 h GLN 77 N 0.25 -0.26 -0.52 1.25 4.15 -1.41 -1.52 115.11 117.04 2g80 h GLN 77 Ca 0.07 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2g80 h GLN 77 Cb 0.45 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2g80 h GLN 77 CO 0.02 -0.17 0.30 0.00 -1.93 0.00 0.00 178.83 177.04 2g80 h ALA 78 N 0.65 1.55 -0.14 3.38 0.00 -1.54 -2.17 119.26 120.99 2g80 h ALA 78 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2g80 h ALA 78 Cb 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2g80 h ALA 78 CO -0.15 0.39 -0.10 1.25 0.00 0.00 0.00 179.25 180.64 2g80 h HIS 79 N 0.72 0.37 -0.54 0.00 -0.00 -1.08 -0.55 115.15 114.07 2g80 h HIS 79 Ca 0.19 -0.10 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 2g80 h HIS 79 Cb -0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 2g80 h HIS 79 CO 0.00 0.68 0.30 0.82 -0.00 0.00 0.00 177.93 179.73 2g80 h ILE 80 N -0.04 1.00 -0.09 6.26 2.04 -1.10 -1.44 117.51 124.14 2g80 h ILE 80 Ca 0.03 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2g80 h ILE 80 Cb 0.60 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2g80 h ILE 80 CO 0.03 0.11 -0.41 -0.07 0.00 0.00 0.00 178.15 177.80 2g80 h LEU 81 N 0.59 0.20 -0.61 1.44 3.38 -1.37 -2.74 115.31 116.19 2g80 h LEU 81 Ca 0.23 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2g80 h LEU 81 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2g80 h LEU 81 CO -0.13 0.59 -0.20 -0.08 0.09 0.00 0.00 178.44 178.71 2g80 h GLU 82 N 0.16 0.90 -0.21 1.13 4.81 -0.56 -0.39 114.58 120.42 2g80 h GLU 82 Ca 0.01 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 2g80 h GLU 82 Cb 0.80 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2g80 h GLU 82 CO 0.06 1.01 0.10 -0.07 -0.73 0.00 0.00 179.01 179.39 2g80 h LEU 83 N 0.78 0.28 0.35 1.64 3.38 -1.12 0.85 115.31 121.47 2g80 h LEU 83 Ca 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2g80 h LEU 83 Cb 0.74 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2g80 h LEU 83 CO 0.06 0.31 -0.17 0.58 0.09 0.00 0.00 178.44 179.31 2g80 h VAL 84 N 0.22 0.66 -0.41 1.22 2.07 -1.44 -0.77 116.25 117.79 2g80 h VAL 84 Ca 0.07 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2g80 h VAL 84 Cb 0.11 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2g80 h VAL 84 CO -0.01 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.78 2g80 h ALA 85 N 0.14 0.51 -0.03 1.67 0.00 -0.99 -2.23 119.26 118.33 2g80 h ALA 85 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2g80 h ALA 85 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2g80 h ALA 85 CO 0.08 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.78 2g80 n LYS 86 N -4.95 1.17 -3.47 0.00 5.02 0.28 -4.96 118.16 111.25 2g80 n LYS 86 Ca 0.02 -0.25 -0.19 0.00 -2.02 0.00 0.00 58.31 55.87 2g80 n LYS 86 Cb 0.12 -1.38 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 2g80 n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2g80 n ASP 87 N -0.60 -3.63 -4.62 4.39 2.03 -0.67 -4.99 116.55 108.46 2g80 n ASP 87 Ca 0.18 -0.74 -0.36 0.00 0.52 0.00 0.00 54.79 54.38 2g80 n ASP 87 Cb 0.14 -4.69 -0.10 0.00 -0.72 0.00 0.00 41.12 35.75 2g80 n ASP 87 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2g80 s VAL 88 N -3.46 5.08 -0.62 5.18 1.01 -0.39 -5.05 120.40 122.15 2g80 s VAL 88 Ca 0.20 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 2g80 s VAL 88 Cb -0.04 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2g80 s VAL 88 CO 0.77 0.37 1.18 -0.54 0.00 0.00 0.00 175.10 176.88 2g80 s LYS 89 N 1.00 3.40 -0.11 2.72 3.01 -1.26 -4.76 119.74 123.74 2g80 s LYS 89 Ca 0.06 0.04 0.02 0.00 -1.01 0.00 0.00 55.97 55.09 2g80 s LYS 89 Cb -0.14 -4.07 -0.00 0.00 -1.01 0.00 0.00 37.83 32.61 2g80 s LYS 89 CO 0.04 -1.78 -0.20 0.34 0.51 0.00 0.00 175.35 174.26 2g80 s ASP 90 N 3.16 3.43 0.48 2.83 -1.08 -1.26 -5.03 116.67 119.20 2g80 s ASP 90 Ca 0.39 -0.48 0.23 0.00 -0.52 0.00 0.00 52.55 52.17 2g80 s ASP 90 Cb -0.08 -1.49 1.22 0.00 -1.46 0.00 0.00 42.92 41.11 2g80 s ASP 90 CO 0.22 0.16 2.00 1.55 0.52 0.00 0.00 175.17 179.61 2g80 h PRO 91 N 6.76 0.00 -0.11 4.34 0.13 -1.99 -1.82 132.00 139.31 2g80 h PRO 91 Ca -0.22 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 2g80 h PRO 91 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2g80 h PRO 91 CO 0.51 0.18 -0.76 0.82 -0.23 0.00 0.00 178.00 178.51 2g80 h ILE 92 N 0.00 1.33 -0.05 -3.56 1.08 -1.96 -2.00 117.51 112.36 2g80 h ILE 92 Ca -0.00 -2.07 -0.00 0.00 -0.39 0.00 0.00 64.86 62.40 2g80 h ILE 92 Cb 0.42 2.06 -0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2g80 h ILE 92 CO 0.02 0.64 0.02 0.25 -0.69 0.00 0.00 178.15 178.39 2g80 h LEU 93 N 0.40 0.06 -0.89 1.44 5.85 -1.87 -1.45 115.31 118.85 2g80 h LEU 93 Ca -0.04 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2g80 h LEU 93 Cb 1.36 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 2g80 h LEU 93 CO 0.14 0.16 0.52 0.11 -0.34 0.00 0.00 178.44 179.04 2g80 h LYS 94 N -0.05 0.81 -0.54 1.25 6.56 -1.37 0.16 116.57 123.39 2g80 h LYS 94 Ca 0.02 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.50 2g80 h LYS 94 Cb 0.12 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 2g80 h LYS 94 CO -0.00 0.54 0.11 0.37 -2.06 0.00 0.00 179.45 178.41 2g80 h GLN 95 N 0.83 0.88 -0.18 3.15 4.15 -1.19 -0.23 115.11 122.52 2g80 h GLN 95 Ca 0.45 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 2g80 h GLN 95 Cb 0.46 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2g80 h GLN 95 CO -0.27 0.84 -0.16 1.25 -1.93 0.00 0.00 178.83 178.55 2g80 h LEU 96 N 0.77 0.46 -0.41 -2.39 5.85 -0.61 -1.66 115.31 117.33 2g80 h LEU 96 Ca 0.17 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.47 2g80 h LEU 96 Cb 0.37 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2g80 h LEU 96 CO 0.01 0.83 0.15 1.56 -0.34 0.00 0.00 178.44 180.65 2g80 h GLN 97 N 0.09 0.32 -0.54 1.25 4.20 -0.70 -0.61 115.11 119.12 2g80 h GLN 97 Ca 0.03 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.81 2g80 h GLN 97 Cb 0.69 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2g80 h GLN 97 CO 0.04 0.21 0.17 0.78 -0.67 0.00 0.00 178.83 179.36 2g80 h GLY 98 N 0.33 0.71 0.89 3.46 0.00 -0.94 -0.10 103.07 107.41 2g80 h GLY 98 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2g80 h GLY 98 CO -0.18 -0.03 0.08 -1.82 0.00 0.00 0.00 176.54 174.58 2g80 h TYR 99 N 0.33 0.27 -0.28 5.60 3.20 -1.04 -1.20 116.97 123.84 2g80 h TYR 99 Ca 0.27 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2g80 h TYR 99 Cb 0.33 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2g80 h TYR 99 CO -0.19 0.32 0.15 0.28 -1.64 0.00 0.00 178.16 177.08 2g80 h VAL 100 N 0.14 1.01 -0.07 1.81 2.07 -0.60 -0.54 116.25 120.06 2g80 h VAL 100 Ca 0.06 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2g80 h VAL 100 Cb 0.16 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2g80 h VAL 100 CO -0.01 0.06 -0.00 -0.50 0.02 0.00 0.00 177.57 177.14 2g80 h TRP 101 N 0.31 0.14 -0.09 1.57 6.55 -1.06 0.10 115.95 123.47 2g80 h TRP 101 Ca 0.11 -0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.97 2g80 h TRP 101 Cb 0.02 -0.04 -0.06 0.00 -0.86 0.00 0.00 29.16 28.22 2g80 h TRP 101 CO -0.09 0.41 -0.29 0.00 -1.05 0.00 0.00 178.44 177.42 2g80 h ALA 102 N 0.72 -0.35 -0.80 1.49 0.00 -1.17 -0.10 119.26 119.04 2g80 h ALA 102 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2g80 h ALA 102 Cb 0.35 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2g80 h ALA 102 CO 0.00 -0.77 0.43 1.25 0.00 0.00 0.00 179.25 180.16 2g80 h HIS 103 N -0.39 1.12 -0.33 0.00 -0.00 -1.10 -0.88 115.15 113.58 2g80 h HIS 103 Ca 0.09 -0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 2g80 h HIS 103 Cb 0.52 -0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 2g80 h HIS 103 CO -0.36 0.79 0.03 0.78 -0.00 0.00 0.00 177.93 179.17 2g80 h GLY 104 N 1.12 0.35 0.66 5.26 0.00 -0.04 -0.83 103.07 109.59 2g80 h GLY 104 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2g80 h GLY 104 CO -0.04 -0.04 -0.00 -0.97 0.00 0.00 0.00 176.54 175.48 2g80 h TYR 105 N 0.14 0.04 0.00 5.60 0.05 -0.84 0.13 116.97 122.10 2g80 h TYR 105 Ca 0.16 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 2g80 h TYR 105 Cb 0.19 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2g80 h TYR 105 CO -0.20 0.38 -0.36 1.05 -1.05 0.00 0.00 178.16 177.97 2g80 h GLU 106 N -0.30 0.00 -0.01 4.88 4.11 -1.12 -2.66 114.58 119.49 2g80 h GLU 106 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2g80 h GLU 106 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2g80 h GLU 106 CO 0.00 0.36 -0.06 -1.13 0.07 0.00 0.00 179.01 178.26 2g80 n SER 107 N -3.86 0.65 0.00 3.06 3.41 -0.32 -4.93 113.62 111.62 2g80 n SER 107 Ca -0.01 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2g80 n SER 107 Cb 0.43 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2g80 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g80 n GLY 108 N 1.18 0.55 0.20 5.00 0.00 -1.00 -4.94 105.19 106.18 2g80 n GLY 108 Ca 0.18 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2g80 n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2g80 h GLN 109 N 1.28 0.00 -3.98 1.61 4.20 -0.99 -3.45 115.11 113.78 2g80 h GLN 109 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2g80 h GLN 109 Cb 0.00 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 2g80 h GLN 109 CO 0.00 0.15 -0.71 0.96 -0.67 0.00 0.00 178.83 178.56 2g80 s ILE 110 N -3.20 0.12 0.03 2.54 -4.36 -0.85 -4.98 121.20 110.50 2g80 s ILE 110 Ca 0.05 -0.74 -0.01 0.00 -0.26 0.00 0.00 60.65 59.70 2g80 s ILE 110 Cb 0.06 -0.24 -0.02 0.00 1.25 0.00 0.00 42.46 43.51 2g80 s ILE 110 CO 0.68 -0.39 -0.02 -0.54 0.24 0.00 0.00 174.94 174.91 2g80 s LYS 111 N -1.17 0.42 -0.22 0.37 1.02 -1.26 -4.30 119.74 114.60 2g80 s LYS 111 Ca -0.12 -0.80 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 2g80 s LYS 111 Cb -0.08 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 2g80 s LYS 111 CO -0.01 -0.08 0.50 0.00 -0.92 0.00 0.00 175.35 174.85 2g80 s ALA 112 N -2.26 3.56 -1.56 5.17 0.00 0.09 -4.74 121.76 122.03 2g80 s ALA 112 Ca -0.08 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 2g80 s ALA 112 Cb -0.04 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 2g80 s ALA 112 CO -0.04 -0.55 2.68 -0.35 0.00 0.00 0.00 175.76 177.51 2g80 n PRO 113 N 5.06 3.37 -2.38 0.00 -0.04 -1.26 -0.41 135.00 139.34 2g80 n PRO 113 Ca -0.05 -2.34 -0.42 0.00 -0.04 0.00 0.00 63.50 60.65 2g80 n PRO 113 Cb 0.50 -2.98 -0.03 0.00 -0.04 0.00 0.00 33.50 30.95 2g80 n PRO 113 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g80 s VAL 114 N 2.57 3.83 0.53 0.52 1.01 -1.26 -4.16 120.40 123.44 2g80 s VAL 114 Ca 0.61 1.36 -0.22 0.00 0.00 0.00 0.00 61.98 63.74 2g80 s VAL 114 Cb 0.16 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2g80 s VAL 114 CO -0.07 0.13 1.34 -0.31 0.00 0.00 0.00 175.10 176.19 2g80 s TYR 115 N 0.78 2.36 0.18 5.22 2.02 -0.63 -4.82 117.35 122.45 2g80 s TYR 115 Ca 0.58 1.39 -0.12 0.00 -0.37 0.00 0.00 57.07 58.55 2g80 s TYR 115 Cb -0.31 -3.75 0.15 0.00 -0.40 0.00 0.00 41.96 37.65 2g80 s TYR 115 CO 0.31 -2.74 1.79 0.00 -1.57 0.00 0.00 175.55 173.34 2g80 h ALA 116 N 1.54 0.69 -0.13 3.71 0.00 -1.93 -0.90 119.26 122.24 2g80 h ALA 116 Ca -0.51 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2g80 h ALA 116 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2g80 h ALA 116 CO 0.58 -0.06 -0.14 0.38 0.00 0.00 0.00 179.25 180.01 2g80 h ASP 117 N 0.53 0.19 0.03 0.00 2.03 -1.98 -0.89 116.42 116.33 2g80 h ASP 117 Ca 0.24 -0.04 -0.18 0.00 -0.73 0.00 0.00 57.03 56.32 2g80 h ASP 117 Cb 0.14 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2g80 h ASP 117 CO -0.16 0.35 -0.62 0.00 -1.03 0.00 0.00 179.24 177.78 2g80 h ALA 118 N 1.68 0.61 0.03 4.15 0.00 -1.67 -1.49 119.26 122.57 2g80 h ALA 118 Ca 0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2g80 h ALA 118 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2g80 h ALA 118 CO 0.02 0.70 -0.02 0.82 0.00 0.00 0.00 179.25 180.78 2g80 h ILE 119 N 0.43 1.05 -0.98 0.00 2.04 -0.67 -1.54 117.51 117.84 2g80 h ILE 119 Ca -0.01 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.65 2g80 h ILE 119 Cb 1.18 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 2g80 h ILE 119 CO 0.12 0.07 0.64 0.44 0.00 0.00 0.00 178.15 179.41 2g80 h ASP 120 N -0.16 1.01 0.15 1.72 3.32 -1.16 -1.59 116.42 119.71 2g80 h ASP 120 Ca -0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2g80 h ASP 120 Cb 0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2g80 h ASP 120 CO 0.01 0.65 -0.07 0.15 -1.72 0.00 0.00 179.24 178.26 2g80 h PHE 121 N 1.15 -0.18 -0.90 4.55 3.04 -1.10 -2.71 116.94 120.79 2g80 h PHE 121 Ca 0.42 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.48 2g80 h PHE 121 Cb 0.17 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 2g80 h PHE 121 CO -0.00 0.13 0.58 0.82 -2.02 0.00 0.00 178.31 177.82 2g80 h ILE 122 N -0.51 0.92 0.00 1.41 2.04 -1.14 -2.54 117.51 117.69 2g80 h ILE 122 Ca -0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2g80 h ILE 122 Cb 0.40 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2g80 h ILE 122 CO 0.03 0.15 0.00 0.11 0.00 0.00 0.00 178.15 178.45 2g80 h LYS 123 N 0.83 0.00 -0.10 2.37 1.57 -1.18 -3.35 116.57 116.71 2g80 h LYS 123 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2g80 h LYS 123 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2g80 h LYS 123 CO -0.20 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.57 2g80 n ARG 124 N -2.40 1.56 -4.31 3.15 1.85 -0.97 -5.03 116.66 110.52 2g80 n ARG 124 Ca 0.03 -1.37 -0.35 0.00 -1.00 0.00 0.00 57.85 55.17 2g80 n ARG 124 Cb 0.34 -1.12 -0.09 0.00 -1.05 0.00 0.00 32.46 30.53 2g80 n ARG 124 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2g80 s LYS 125 N -0.77 3.06 0.18 2.89 -0.14 -1.16 -5.04 119.74 118.77 2g80 s LYS 125 Ca 0.09 -0.37 -0.10 0.00 -1.36 0.00 0.00 55.97 54.24 2g80 s LYS 125 Cb 0.05 -2.85 0.08 0.00 -1.68 0.00 0.00 37.83 33.43 2g80 s LYS 125 CO 0.08 0.70 1.67 -0.22 -0.76 0.00 0.00 175.35 176.82 2g80 h LYS 126 N 5.17 1.06 -3.62 1.68 3.64 -1.92 -3.41 116.57 119.17 2g80 h LYS 126 Ca -0.51 -0.30 -0.54 0.00 -1.27 0.00 0.00 60.65 58.03 2g80 h LYS 126 Cb 1.20 -0.12 -0.40 0.00 -0.41 0.00 0.00 32.23 32.50 2g80 h LYS 126 CO 0.55 0.99 -0.77 1.03 -2.27 0.00 0.00 179.45 178.99 2g80 s ARG 127 N -5.17 0.77 -0.18 1.90 0.52 -1.26 -4.97 118.95 110.57 2g80 s ARG 127 Ca -0.12 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2g80 s ARG 127 Cb 0.14 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.52 2g80 s ARG 127 CO 0.85 -0.73 -0.20 0.08 0.02 0.00 0.00 175.30 175.31 2g80 s VAL 128 N 1.75 2.05 -0.05 3.52 1.01 -1.26 -1.24 120.40 126.18 2g80 s VAL 128 Ca 0.01 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2g80 s VAL 128 Cb -0.17 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2g80 s VAL 128 CO -0.13 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 174.92 2g80 s PHE 129 N 1.25 2.25 -0.11 5.22 0.08 -0.20 -0.58 117.98 125.90 2g80 s PHE 129 Ca 0.04 -0.67 -0.07 0.00 0.12 0.00 0.00 56.93 56.34 2g80 s PHE 129 Cb -0.13 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2g80 s PHE 129 CO -0.12 -0.21 0.16 0.42 -0.10 0.00 0.00 175.22 175.37 2g80 s ILE 130 N -0.10 5.48 -0.19 0.64 -1.09 -0.55 -0.67 121.20 124.72 2g80 s ILE 130 Ca -0.04 0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 2g80 s ILE 130 Cb -0.13 -3.43 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 2g80 s ILE 130 CO 0.03 0.60 0.05 -0.47 -1.23 0.00 0.00 174.94 173.92 2g80 s TYR 131 N -1.05 0.83 0.06 3.97 5.04 0.48 -0.59 117.35 126.09 2g80 s TYR 131 Ca 0.16 -0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 54.06 2g80 s TYR 131 Cb -0.12 -0.95 -0.04 0.00 0.35 0.00 0.00 41.96 41.20 2g80 s TYR 131 CO 0.05 -0.58 -0.03 0.45 -1.34 0.00 0.00 175.55 174.11 2g80 s SER 132 N 1.92 0.50 0.27 4.32 0.15 -0.94 -3.98 113.70 115.95 2g80 s SER 132 Ca -0.00 -1.01 0.12 0.00 0.70 0.00 0.00 55.95 55.75 2g80 s SER 132 Cb -0.17 0.20 0.32 0.00 -1.71 0.00 0.00 66.02 64.66 2g80 s SER 132 CO -0.08 -0.60 1.57 0.77 1.20 0.00 0.00 173.24 176.10 2g80 h SER 133 N 3.12 0.00 -4.11 5.45 4.64 -1.96 -3.36 113.55 117.33 2g80 h SER 133 Ca -0.34 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.43 2g80 h SER 133 Cb 1.14 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.38 2g80 h SER 133 CO 0.65 0.62 0.50 -0.83 -0.87 0.00 0.00 176.83 176.90 2g80 s GLY 134 N -4.48 2.79 0.60 -0.77 0.00 -1.26 -4.62 107.32 99.58 2g80 s GLY 134 Ca -0.00 1.15 -0.18 0.00 0.00 0.00 0.00 44.72 45.68 2g80 s GLY 134 CO 0.75 1.56 1.19 -1.35 0.00 0.00 0.00 173.10 175.26 2g80 s SER 135 N -1.49 5.17 0.32 1.64 1.04 -1.26 -4.73 113.70 114.39 2g80 s SER 135 Ca 0.81 2.34 0.09 0.00 0.48 0.00 0.00 55.95 59.67 2g80 s SER 135 Cb -0.35 -2.59 0.85 0.00 0.10 0.00 0.00 66.02 64.02 2g80 s SER 135 CO 0.39 -1.60 1.75 0.58 0.98 0.00 0.00 173.24 175.34 2g80 h VAL 136 N 0.78 0.60 -0.43 5.02 2.07 -1.92 -0.53 116.25 121.85 2g80 h VAL 136 Ca -0.50 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2g80 h VAL 136 Cb 1.29 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2g80 h VAL 136 CO 0.55 0.12 0.26 0.50 0.02 0.00 0.00 177.57 179.02 2g80 h LYS 137 N 0.63 0.52 -0.27 1.57 3.11 -2.00 -1.72 116.57 118.41 2g80 h LYS 137 Ca 0.62 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 58.31 2g80 h LYS 137 Cb 1.13 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2g80 h LYS 137 CO -0.43 0.34 -0.31 0.00 -2.81 0.00 0.00 179.45 176.25 2g80 h ALA 138 N 1.18 0.97 -0.44 5.00 0.00 -1.51 -2.54 119.26 121.91 2g80 h ALA 138 Ca 0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2g80 h ALA 138 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2g80 h ALA 138 CO -0.06 0.61 0.15 1.96 0.00 0.00 0.00 179.25 181.90 2g80 h GLN 139 N 0.48 0.68 -0.53 0.00 4.20 -0.91 -0.26 115.11 118.76 2g80 h GLN 139 Ca 0.06 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.64 2g80 h GLN 139 Cb 0.77 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2g80 h GLN 139 CO 0.06 0.65 0.34 0.87 -0.67 0.00 0.00 178.83 180.08 2g80 h LYS 140 N 0.57 0.66 -0.09 1.46 1.57 -1.22 -1.54 116.57 117.97 2g80 h LYS 140 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2g80 h LYS 140 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2g80 h LYS 140 CO -0.01 0.44 0.05 -0.07 -0.57 0.00 0.00 179.45 179.29 2g80 h LEU 141 N 0.68 0.08 -0.26 2.94 3.38 -1.39 0.29 115.31 121.03 2g80 h LEU 141 Ca 0.20 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2g80 h LEU 141 Cb -0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2g80 h LEU 141 CO -0.07 0.06 -0.12 0.25 0.09 0.00 0.00 178.44 178.66 2g80 h LEU 142 N 0.11 -0.39 -0.03 1.67 6.46 -0.66 -2.38 115.31 120.08 2g80 h LEU 142 Ca 0.04 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2g80 h LEU 142 Cb -0.00 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2g80 h LEU 142 CO -0.02 -0.15 0.00 0.49 -0.62 0.00 0.00 178.44 178.14 2g80 n PHE 143 N -5.28 0.34 0.25 1.25 3.72 -0.61 -3.31 117.46 113.81 2g80 n PHE 143 Ca -0.01 0.10 0.12 0.00 -0.05 0.00 0.00 57.45 57.62 2g80 n PHE 143 Cb 0.20 -0.67 0.13 0.00 -0.94 0.00 0.00 39.48 38.21 2g80 n PHE 143 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2g80 h GLY 144 N 4.51 0.00 -5.94 1.37 0.00 -0.42 0.21 103.07 102.80 2g80 h GLY 144 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2g80 h GLY 144 CO 0.00 0.00 -1.12 -1.72 0.00 0.00 0.00 176.54 173.70 2g80 n TYR 145 N -2.79 0.51 -3.10 5.60 4.01 -1.05 -3.89 117.16 116.45 2g80 n TYR 145 Ca 0.03 -3.80 -0.39 0.00 -0.16 0.00 0.00 57.90 53.57 2g80 n TYR 145 Cb 0.52 -0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 2g80 n TYR 145 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2g80 s VAL 146 N -2.40 5.05 0.17 -0.72 1.01 -0.31 -0.73 120.40 122.47 2g80 s VAL 146 Ca 0.40 1.36 -0.32 0.00 0.00 0.00 0.00 61.98 63.42 2g80 s VAL 146 Cb 0.31 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2g80 s VAL 146 CO -0.09 0.28 1.75 1.67 0.00 0.00 0.00 175.10 178.71 2g80 n GLN 147 N 3.67 2.69 -2.38 2.72 7.27 0.45 0.11 117.38 131.91 2g80 n GLN 147 Ca -0.03 0.97 -0.43 0.00 0.07 0.00 0.00 57.00 57.59 2g80 n GLN 147 Cb 0.51 -2.82 -0.02 0.00 2.41 0.00 0.00 30.24 30.32 2g80 n GLN 147 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2g80 s ASP 148 N 1.71 6.55 0.47 1.69 -1.08 -1.26 -4.72 116.67 120.04 2g80 s ASP 148 Ca 0.78 1.13 0.16 0.00 -0.52 0.00 0.00 52.55 54.11 2g80 s ASP 148 Cb -0.53 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 39.54 2g80 s ASP 148 CO 0.35 -1.19 2.03 -0.65 0.52 0.00 0.00 175.17 176.23 2g80 h PRO 149 N 9.80 0.24 0.00 4.34 0.11 -1.91 -0.04 132.00 144.53 2g80 h PRO 149 Ca -0.27 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 2g80 h PRO 149 Cb 1.10 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2g80 h PRO 149 CO 1.05 0.16 -0.76 -0.91 -0.21 0.00 0.00 178.00 177.32 2g80 h ASN 150 N 0.24 0.00 -1.59 -2.05 2.35 -2.01 -3.40 115.58 109.12 2g80 h ASN 150 Ca 0.19 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.48 2g80 h ASN 150 Cb 0.45 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.47 2g80 h ASN 150 CO -0.04 0.69 -1.01 0.00 -1.65 0.00 0.00 177.43 175.42 2g80 n ALA 151 N -2.29 1.55 -0.25 -0.83 0.00 -0.92 -5.03 120.51 112.75 2g80 n ALA 151 Ca 0.00 -3.00 0.10 0.00 0.00 0.00 0.00 53.44 50.55 2g80 n ALA 151 Cb 0.82 -0.95 0.37 0.00 0.00 0.00 0.00 19.45 19.69 2g80 n ALA 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2g80 h PRO 152 N 3.53 0.70 0.00 0.00 0.11 -1.25 -0.43 132.00 134.66 2g80 h PRO 152 Ca 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2g80 h PRO 152 Cb 0.95 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2g80 h PRO 152 CO 0.43 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 2g80 n ALA 153 N -2.44 2.35 -2.72 -0.75 0.00 -1.26 -4.62 120.51 111.07 2g80 n ALA 153 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2g80 n ALA 153 Cb 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2g80 n ALA 153 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2g80 n HIS 154 N -1.26 -1.97 -1.67 0.00 8.25 -0.17 -5.06 115.22 113.33 2g80 n HIS 154 Ca 0.13 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 2g80 n HIS 154 Cb 0.20 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.35 2g80 n HIS 154 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2g80 n ASP 155 N -2.00 1.78 -4.84 0.41 8.00 -1.26 -4.83 116.55 113.81 2g80 n ASP 155 Ca 0.00 0.97 -0.29 0.00 0.71 0.00 0.00 54.79 56.17 2g80 n ASP 155 Cb 0.00 -1.46 0.10 0.00 -0.02 0.00 0.00 41.12 39.74 2g80 n ASP 155 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2g80 s SER 156 N -0.89 4.33 -0.10 -2.24 1.04 -1.26 -4.34 113.70 110.23 2g80 s SER 156 Ca 0.69 1.00 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 2g80 s SER 156 Cb -0.46 -1.62 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 2g80 s SER 156 CO 0.52 -2.04 -0.02 -0.76 0.98 0.00 0.00 173.24 171.92 2g80 s LEU 157 N -5.73 3.41 -0.36 2.42 1.02 0.12 -4.86 118.68 114.70 2g80 s LEU 157 Ca 0.62 0.03 -0.14 0.00 0.02 0.00 0.00 54.13 54.65 2g80 s LEU 157 Cb -0.13 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 2g80 s LEU 157 CO 0.52 0.31 0.31 -0.62 0.02 0.00 0.00 176.35 176.89 2g80 s ASP 158 N -0.48 6.12 0.00 2.29 -1.08 -1.25 -1.16 116.67 121.10 2g80 s ASP 158 Ca 0.08 -0.45 0.18 0.00 -0.52 0.00 0.00 52.55 51.84 2g80 s ASP 158 Cb -0.12 -2.17 0.40 0.00 -1.46 0.00 0.00 42.92 39.57 2g80 s ASP 158 CO 0.02 -0.33 1.32 0.18 0.52 0.00 0.00 175.17 176.88 2g80 n LEU 159 N 5.26 3.25 0.22 -1.34 4.77 0.75 -4.63 117.00 125.27 2g80 n LEU 159 Ca -0.11 -1.71 0.05 0.00 -0.03 0.00 0.00 56.01 54.22 2g80 n LEU 159 Cb 0.49 -0.27 0.50 0.00 -2.33 0.00 0.00 43.42 41.80 2g80 n LEU 159 CO 0.39 0.76 0.88 0.78 -1.33 0.00 0.00 177.39 178.87 2g80 h ASN 160 N 3.45 0.00 0.81 -1.43 2.35 -1.92 -1.50 115.58 117.35 2g80 h ASN 160 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2g80 h ASN 160 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2g80 h ASN 160 CO 0.00 0.20 0.00 0.77 -1.65 0.00 0.00 177.43 176.75 2g80 h SER 161 N 0.00 0.00 0.42 5.81 4.64 -1.94 -2.39 113.55 120.09 2g80 h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g80 h SER 161 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2g80 h SER 161 CO 0.03 0.00 -0.47 -1.22 -0.87 0.00 0.00 176.83 174.29 2g80 n TYR 162 N -2.93 0.00 -4.01 4.77 4.01 -0.57 -4.88 117.16 113.55 2g80 n TYR 162 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 2g80 n TYR 162 Cb 0.25 -0.21 -0.10 0.00 -0.31 0.00 0.00 39.34 38.97 2g80 n TYR 162 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2g80 s ILE 163 N -2.89 4.71 -0.67 -0.72 1.01 -0.90 -4.52 121.20 117.22 2g80 s ILE 163 Ca 0.14 -0.06 0.23 0.00 0.00 0.00 0.00 60.65 60.96 2g80 s ILE 163 Cb 0.18 -3.13 -0.08 0.00 0.01 0.00 0.00 42.46 39.44 2g80 s ILE 163 CO 0.67 0.45 1.10 0.47 0.00 0.00 0.00 174.94 177.63 2g80 n ASP 164 N 3.66 0.63 0.00 3.58 8.00 0.25 -4.96 116.55 127.71 2g80 n ASP 164 Ca -0.17 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.13 2g80 n ASP 164 Cb 0.52 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.29 2g80 n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g80 n GLY 165 N 1.38 0.71 2.95 0.44 0.00 -1.23 -5.01 105.19 104.44 2g80 n GLY 165 Ca 0.03 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2g80 n GLY 165 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g80 s TYR 166 N -2.00 0.53 0.02 1.61 1.51 -1.26 -1.49 117.35 116.27 2g80 s TYR 166 Ca 0.00 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2g80 s TYR 166 Cb 0.00 -0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 41.47 2g80 s TYR 166 CO 0.00 -0.03 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.27 2g80 s PHE 167 N 0.02 0.72 0.10 2.71 0.08 0.24 -4.95 117.98 116.91 2g80 s PHE 167 Ca 0.00 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.79 2g80 s PHE 167 Cb -0.04 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.96 2g80 s PHE 167 CO -0.00 -0.03 0.08 -0.40 -0.10 0.00 0.00 175.22 174.77 2g80 n ASP 168 N 2.23 -0.10 -0.15 1.36 5.68 -1.26 -2.21 116.55 122.10 2g80 n ASP 168 Ca -0.17 -1.67 -0.05 0.00 -0.50 0.00 0.00 54.79 52.41 2g80 n ASP 168 Cb 0.56 0.49 0.14 0.00 -1.14 0.00 0.00 41.12 41.17 2g80 n ASP 168 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2g80 h ILE 169 N 1.31 1.24 -0.24 2.12 2.04 -1.72 -1.86 117.51 120.40 2g80 h ILE 169 Ca -0.07 -0.94 -0.15 0.00 1.00 0.00 0.00 64.86 64.70 2g80 h ILE 169 Cb 0.36 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2g80 h ILE 169 CO 0.11 0.34 -0.47 0.78 0.00 0.00 0.00 178.15 178.91 2g80 h ASN 170 N 0.84 0.68 0.40 1.72 2.35 -1.95 -0.40 115.58 119.21 2g80 h ASN 170 Ca 0.17 -0.33 -0.23 0.00 -0.55 0.00 0.00 56.30 55.36 2g80 h ASN 170 Cb 0.38 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2g80 h ASN 170 CO 0.01 1.04 -0.99 0.71 -1.65 0.00 0.00 177.43 176.55 2g80 h THR 171 N 0.50 1.42 0.00 2.81 1.35 -1.92 -3.42 112.91 113.65 2g80 h THR 171 Ca 0.03 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 2g80 h THR 171 Cb 1.01 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 2g80 h THR 171 CO 0.09 0.76 -0.74 -1.20 -0.25 0.00 0.00 175.52 174.18 2g80 n SER 172 N -3.71 3.63 0.00 5.36 7.64 -0.72 -4.97 113.62 120.86 2g80 n SER 172 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2g80 n SER 172 Cb 0.87 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 2g80 n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g80 n GLY 173 N 2.44 0.48 3.77 0.23 0.00 -0.16 -4.20 105.19 107.75 2g80 n GLY 173 Ca 0.00 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 2g80 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g80 s LYS 174 N -0.42 4.08 0.44 1.61 1.02 -1.26 -4.16 119.74 121.05 2g80 s LYS 174 Ca 0.00 1.96 0.31 0.00 0.02 0.00 0.00 55.97 58.25 2g80 s LYS 174 Cb 0.00 -2.76 1.39 0.00 -0.52 0.00 0.00 37.83 35.94 2g80 s LYS 174 CO 0.00 -0.33 1.92 0.87 -0.92 0.00 0.00 175.35 176.88 2g80 h LYS 175 N 2.77 0.00 -0.33 1.68 1.57 -1.97 -2.51 116.57 117.78 2g80 h LYS 175 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2g80 h LYS 175 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2g80 h LYS 175 CO 0.63 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 2g80 n THR 176 N -2.70 0.41 -3.91 -0.16 -2.24 -1.26 -4.41 114.28 100.02 2g80 n THR 176 Ca 0.00 -0.69 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 2g80 n THR 176 Cb 0.21 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 2g80 n THR 176 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2g80 s GLU 177 N -1.59 3.98 0.40 -0.78 0.41 -0.95 -4.63 118.70 115.55 2g80 s GLU 177 Ca 0.37 -0.33 0.08 0.00 -0.41 0.00 0.00 54.97 54.68 2g80 s GLU 177 Cb 0.22 -3.29 0.87 0.00 -1.78 0.00 0.00 34.13 30.15 2g80 s GLU 177 CO 0.31 0.21 2.01 1.15 -0.49 0.00 0.00 175.26 178.45 2g80 h THR 178 N 4.93 1.03 -0.92 3.63 2.02 -1.88 -2.64 112.91 119.09 2g80 h THR 178 Ca -0.37 -0.20 0.08 0.00 0.77 0.00 0.00 66.41 66.69 2g80 h THR 178 Cb 1.17 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 2g80 h THR 178 CO 0.69 0.10 0.58 -0.61 0.37 0.00 0.00 175.52 176.65 2g80 h GLN 179 N 0.57 0.98 -0.82 6.66 5.75 -1.93 -2.09 115.11 124.24 2g80 h GLN 179 Ca 0.22 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.78 2g80 h GLN 179 Cb 0.17 -0.22 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 2g80 h GLN 179 CO -0.06 0.65 0.53 0.77 -2.65 0.00 0.00 178.83 178.07 2g80 h SER 180 N 1.01 0.63 0.03 -0.69 0.02 -1.64 0.30 113.55 113.22 2g80 h SER 180 Ca 0.42 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 61.15 2g80 h SER 180 Cb 0.26 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.70 2g80 h SER 180 CO -0.20 0.36 -0.93 1.88 -1.14 0.00 0.00 176.83 176.80 2g80 h TYR 181 N 0.69 0.95 -0.60 3.45 0.05 -1.50 -2.24 116.97 117.77 2g80 h TYR 181 Ca 0.39 -0.48 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2g80 h TYR 181 Cb 0.55 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 2g80 h TYR 181 CO -0.00 1.31 0.30 0.00 -1.05 0.00 0.00 178.16 178.72 2g80 h ALA 182 N 0.54 1.40 -0.48 3.88 0.00 -0.87 -0.66 119.26 123.07 2g80 h ALA 182 Ca -0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2g80 h ALA 182 Cb 1.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2g80 h ALA 182 CO 0.18 0.48 0.02 -0.91 0.00 0.00 0.00 179.25 179.02 2g80 h ASN 183 N 0.84 0.80 -0.37 0.00 2.35 -0.89 -2.49 115.58 115.81 2g80 h ASN 183 Ca 0.21 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2g80 h ASN 183 Cb 0.07 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2g80 h ASN 183 CO -0.03 0.90 0.11 0.40 -1.65 0.00 0.00 177.43 177.16 2g80 h ILE 184 N 0.68 1.22 -0.49 2.81 2.04 -1.03 -1.92 117.51 120.82 2g80 h ILE 184 Ca 0.14 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.32 2g80 h ILE 184 Cb 0.47 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2g80 h ILE 184 CO 0.02 0.25 0.33 -0.07 0.00 0.00 0.00 178.15 178.68 2g80 h LEU 185 N 0.45 0.43 0.03 1.44 3.38 -1.09 -1.58 115.31 118.37 2g80 h LEU 185 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2g80 h LEU 185 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2g80 h LEU 185 CO -0.00 0.29 -0.01 -0.09 0.09 0.00 0.00 178.44 178.71 2g80 h ARG 186 N 0.49 -0.04 -0.63 1.13 2.43 -1.21 -0.09 114.38 116.45 2g80 h ARG 186 Ca 0.21 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2g80 h ARG 186 Cb 0.20 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2g80 h ARG 186 CO -0.05 0.28 0.31 -0.44 -1.51 0.00 0.00 179.97 178.56 2g80 h ASP 187 N -0.36 0.82 1.41 -3.80 3.32 -1.01 -2.78 116.42 114.01 2g80 h ASP 187 Ca -0.00 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 2g80 h ASP 187 Cb 0.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2g80 h ASP 187 CO 0.01 0.72 -0.61 0.16 -1.72 0.00 0.00 179.24 177.79 2g80 h ILE 188 N 0.87 0.43 -1.88 0.35 3.07 -1.39 -3.49 117.51 115.47 2g80 h ILE 188 Ca 0.22 -1.66 -0.15 0.00 1.55 0.00 0.00 64.86 64.82 2g80 h ILE 188 Cb 0.11 2.09 0.02 0.00 -0.27 0.00 0.00 36.82 38.77 2g80 h ILE 188 CO -0.03 0.24 -0.23 0.61 -1.05 0.00 0.00 178.15 177.70 2g80 n GLY 189 N 1.21 0.20 3.81 0.16 0.00 -0.09 -5.06 105.19 105.43 2g80 n GLY 189 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2g80 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g80 s ALA 190 N -2.72 3.56 -0.02 4.61 0.00 -0.98 -5.03 121.76 121.19 2g80 s ALA 190 Ca 0.10 -1.40 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 2g80 s ALA 190 Cb -0.04 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2g80 s ALA 190 CO 0.12 0.28 0.67 -1.59 0.00 0.00 0.00 175.76 175.24 2g80 s LYS 191 N -3.74 4.40 0.24 0.00 0.00 -1.26 -4.80 119.74 114.59 2g80 s LYS 191 Ca 0.32 0.85 -0.04 0.00 0.00 0.00 0.00 55.97 57.10 2g80 s LYS 191 Cb -0.08 -3.39 0.44 0.00 0.00 0.00 0.00 37.83 34.80 2g80 s LYS 191 CO 0.24 0.24 1.75 0.00 0.00 0.00 0.00 175.35 177.59 2g80 h ALA 192 N 6.06 1.09 -0.53 0.59 0.00 -1.86 -0.85 119.26 123.77 2g80 h ALA 192 Ca -0.43 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.69 2g80 h ALA 192 Cb 1.20 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2g80 h ALA 192 CO 0.72 -0.13 0.37 0.66 0.00 0.00 0.00 179.25 180.87 2g80 h SER 193 N 0.54 0.17 0.28 0.00 4.64 -1.88 -1.48 113.55 115.82 2g80 h SER 193 Ca 0.41 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2g80 h SER 193 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2g80 h SER 193 CO -0.35 0.10 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.05 2g80 n GLU 194 N -4.44 0.79 -4.32 4.77 4.71 -0.33 -4.77 120.64 117.05 2g80 n GLU 194 Ca 0.09 -0.16 -0.35 0.00 -0.01 0.00 0.00 57.16 56.73 2g80 n GLU 194 Cb 0.47 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.31 2g80 n GLU 194 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2g80 s VAL 195 N -2.32 4.40 -0.19 2.62 1.01 -0.56 -2.39 120.40 122.96 2g80 s VAL 195 Ca 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2g80 s VAL 195 Cb 0.21 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2g80 s VAL 195 CO 0.43 0.59 -0.13 -0.22 0.00 0.00 0.00 175.10 175.78 2g80 s LEU 196 N -0.76 2.51 -0.21 3.92 2.96 -0.70 -1.42 118.68 124.97 2g80 s LEU 196 Ca 0.12 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2g80 s LEU 196 Cb -0.12 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2g80 s LEU 196 CO 0.02 0.01 0.11 0.12 -1.32 0.00 0.00 176.35 175.29 2g80 s PHE 197 N 1.28 3.28 -0.18 5.38 5.36 0.18 -0.92 117.98 132.36 2g80 s PHE 197 Ca 0.04 0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.12 2g80 s PHE 197 Cb -0.14 -2.17 -0.00 0.00 -0.34 0.00 0.00 43.02 40.37 2g80 s PHE 197 CO -0.07 0.10 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.16 2g80 s LEU 198 N 0.69 2.57 0.09 6.12 1.43 -0.44 -1.46 118.68 127.69 2g80 s LEU 198 Ca 0.06 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 2g80 s LEU 198 Cb -0.13 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.51 2g80 s LEU 198 CO 0.01 0.04 0.34 -0.55 0.23 0.00 0.00 176.35 176.43 2g80 s SER 199 N 1.10 -0.15 0.00 2.29 0.15 -1.11 -1.41 113.70 114.57 2g80 s SER 199 Ca 0.00 -0.31 0.25 0.00 0.70 0.00 0.00 55.95 56.59 2g80 s SER 199 Cb -0.14 0.42 0.54 0.00 -1.71 0.00 0.00 66.02 65.12 2g80 s SER 199 CO -0.03 -0.76 1.43 -0.90 1.20 0.00 0.00 173.24 174.18 2g80 n ASP 200 N 0.06 1.05 -4.45 5.45 5.75 -1.26 -0.09 116.55 123.06 2g80 n ASP 200 Ca -0.17 -0.84 -0.42 0.00 -0.01 0.00 0.00 54.79 53.35 2g80 n ASP 200 Cb 0.62 0.26 -0.10 0.00 -1.03 0.00 0.00 41.12 40.86 2g80 n ASP 200 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2g80 s ASN 201 N -2.63 5.98 0.52 -1.12 3.84 -1.26 -4.85 114.94 115.43 2g80 s ASN 201 Ca 0.20 -0.81 0.19 0.00 0.21 0.00 0.00 52.86 52.65 2g80 s ASN 201 Cb 0.19 -2.12 1.31 0.00 -0.55 0.00 0.00 41.25 40.08 2g80 s ASN 201 CO 0.59 -0.38 2.12 -0.65 -2.79 0.00 0.00 177.10 175.98 2g80 h PRO 202 N 8.54 0.00 0.00 0.43 0.11 -1.99 -1.46 132.00 137.63 2g80 h PRO 202 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 2g80 h PRO 202 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2g80 h PRO 202 CO 0.69 0.00 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.98 2g80 h LEU 203 N 0.00 0.00 -0.14 2.35 3.38 -1.97 0.15 115.31 119.08 2g80 h LEU 203 Ca 0.06 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 2g80 h LEU 203 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2g80 h LEU 203 CO -0.00 0.43 -0.68 -0.33 0.09 0.00 0.00 178.44 177.95 2g80 h GLU 204 N 0.00 0.71 -0.57 1.13 5.08 -1.49 -2.96 114.58 116.48 2g80 h GLU 204 Ca -0.00 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 2g80 h GLU 204 Cb 0.82 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2g80 h GLU 204 CO 0.06 1.19 0.16 -0.07 -1.00 0.00 0.00 179.01 179.35 2g80 h LEU 205 N 0.40 0.85 -0.51 1.33 3.38 -1.09 -1.65 115.31 118.02 2g80 h LEU 205 Ca -0.04 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2g80 h LEU 205 Cb 1.31 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2g80 h LEU 205 CO 0.14 0.84 0.22 0.44 0.09 0.00 0.00 178.44 180.17 2g80 h ASP 206 N 0.81 0.28 0.09 -0.43 3.32 -0.76 0.37 116.42 120.09 2g80 h ASP 206 Ca 0.18 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2g80 h ASP 206 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2g80 h ASP 206 CO -0.00 0.19 -0.10 0.00 -1.72 0.00 0.00 179.24 177.61 2g80 h ALA 207 N 1.31 -0.18 -0.79 3.45 0.00 -1.33 -2.58 119.26 119.14 2g80 h ALA 207 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2g80 h ALA 207 Cb 0.21 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2g80 h ALA 207 CO -0.21 -0.62 0.50 0.00 0.00 0.00 0.00 179.25 178.92 2g80 h ALA 208 N 0.68 1.39 0.00 0.00 0.00 -1.00 -2.15 119.26 118.18 2g80 h ALA 208 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2g80 h ALA 208 Cb 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2g80 h ALA 208 CO -0.04 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.62 2g80 h ALA 209 N 1.47 1.56 0.00 0.00 0.00 -0.70 -2.78 119.26 118.81 2g80 h ALA 209 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2g80 h ALA 209 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2g80 h ALA 209 CO -0.06 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2g80 n GLY 210 N -0.97 -0.98 0.19 0.00 0.00 -0.81 -2.01 105.19 100.62 2g80 n GLY 210 Ca -0.02 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.18 2g80 n GLY 210 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2g80 n VAL 211 N -2.12 1.53 -0.92 1.61 3.14 -1.07 -5.01 118.33 115.49 2g80 n VAL 211 Ca 0.00 -1.65 0.00 0.00 -2.96 0.00 0.00 64.34 59.73 2g80 n VAL 211 Cb 0.11 0.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 2g80 n VAL 211 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2g80 n GLY 212 N -0.82 0.55 3.75 7.55 0.00 -0.85 -4.72 105.19 110.64 2g80 n GLY 212 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2g80 n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g80 s ILE 213 N -2.03 3.67 0.40 -0.61 1.01 -1.09 -3.41 121.20 119.16 2g80 s ILE 213 Ca 0.00 1.52 -0.25 0.00 0.00 0.00 0.00 60.65 61.92 2g80 s ILE 213 Cb 0.00 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 2g80 s ILE 213 CO 0.00 0.30 1.14 0.00 0.00 0.00 0.00 174.94 176.37 2g80 s ALA 214 N -0.54 3.12 0.11 9.38 0.00 -0.51 -4.15 121.76 129.17 2g80 s ALA 214 Ca 0.48 0.89 0.09 0.00 0.00 0.00 0.00 51.96 53.42 2g80 s ALA 214 Cb -0.31 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2g80 s ALA 214 CO 0.37 -0.45 -0.22 0.95 0.00 0.00 0.00 175.76 176.41 2g80 s THR 215 N -1.48 1.84 -0.10 0.00 -4.23 -1.26 0.48 115.64 110.89 2g80 s THR 215 Ca 0.58 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 2g80 s THR 215 Cb -0.28 -1.67 0.05 0.00 1.34 0.00 0.00 72.50 71.94 2g80 s THR 215 CO 0.35 -0.04 0.21 -0.83 -0.54 0.00 0.00 174.62 173.77 2g80 s GLY 216 N -1.98 -0.07 -0.39 3.99 0.00 -0.53 -4.67 107.32 103.66 2g80 s GLY 216 Ca 0.08 0.83 -0.26 0.00 0.00 0.00 0.00 44.72 45.38 2g80 s GLY 216 CO 0.05 1.39 0.93 -2.27 0.00 0.00 0.00 173.10 173.19 2g80 s LEU 217 N 1.62 3.99 0.01 0.66 2.96 0.93 -2.73 118.68 126.12 2g80 s LEU 217 Ca -0.05 0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2g80 s LEU 217 Cb -0.11 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 2g80 s LEU 217 CO -0.07 -0.91 1.05 0.00 -1.32 0.00 0.00 176.35 175.10 2g80 s ALA 218 N 3.56 3.25 -0.31 5.97 0.00 0.87 -0.55 121.76 134.56 2g80 s ALA 218 Ca 0.38 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2g80 s ALA 218 Cb -0.11 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.72 2g80 s ALA 218 CO 0.21 -0.32 0.01 0.45 0.00 0.00 0.00 175.76 176.11 2g80 s SER 219 N 1.04 4.56 0.13 0.00 0.15 0.92 -4.24 113.70 116.27 2g80 s SER 219 Ca 0.54 -1.88 0.09 0.00 0.70 0.00 0.00 55.95 55.40 2g80 s SER 219 Cb -0.24 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2g80 s SER 219 CO 0.28 -0.33 -0.16 -0.13 1.20 0.00 0.00 173.24 174.09 2g80 s ARG 220 N 1.05 1.84 0.17 5.44 1.81 -1.26 -4.23 118.95 123.77 2g80 s ARG 220 Ca 0.06 -1.19 -0.34 0.00 -1.72 0.00 0.00 55.73 52.54 2g80 s ARG 220 Cb -0.19 -2.13 -0.14 0.00 -0.45 0.00 0.00 34.95 32.05 2g80 s ARG 220 CO -0.09 0.47 1.59 -2.30 -0.68 0.00 0.00 175.30 174.30 2g80 n PRO 221 N 0.66 2.23 -0.61 3.54 -0.02 -1.26 -1.08 135.00 138.47 2g80 n PRO 221 Ca -0.15 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2g80 n PRO 221 Cb 0.53 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2g80 n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g80 n GLY 222 N 3.46 0.85 3.82 -1.23 0.00 -1.26 -4.79 105.19 106.05 2g80 n GLY 222 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2g80 n GLY 222 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g80 s ASN 223 N -3.01 4.70 0.43 1.61 -0.87 -0.24 -4.91 114.94 112.65 2g80 s ASN 223 Ca 0.00 1.25 -0.26 0.00 -1.57 0.00 0.00 52.86 52.28 2g80 s ASN 223 Cb 0.00 -1.99 -0.09 0.00 -0.02 0.00 0.00 41.25 39.15 2g80 s ASN 223 CO 0.00 -1.83 1.36 0.00 -2.57 0.00 0.00 177.10 174.06 2g80 n ALA 224 N -3.34 1.72 -1.76 0.60 0.00 -1.26 -4.92 120.51 111.54 2g80 n ALA 224 Ca 0.07 0.27 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 2g80 n ALA 224 Cb 0.57 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.69 2g80 n ALA 224 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2g80 s PRO 225 N -2.30 3.73 -0.28 0.00 0.04 -1.26 -4.97 135.00 129.98 2g80 s PRO 225 Ca 0.60 2.12 -0.25 0.00 0.04 0.00 0.00 61.00 63.52 2g80 s PRO 225 Cb -0.48 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 31.48 2g80 s PRO 225 CO 0.58 -0.67 0.84 0.08 0.04 0.00 0.00 177.00 177.87 2g80 s VAL 226 N -1.32 4.78 0.61 -0.36 1.01 -1.26 -5.05 120.40 118.81 2g80 s VAL 226 Ca 0.61 1.44 -0.17 0.00 0.00 0.00 0.00 61.98 63.87 2g80 s VAL 226 Cb -0.37 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2g80 s VAL 226 CO 0.47 -0.19 1.11 -2.16 0.00 0.00 0.00 175.10 174.33 2g80 s PRO 227 N 2.98 3.06 0.57 2.72 0.04 -1.26 -5.02 135.00 138.09 2g80 s PRO 227 Ca 0.35 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 2g80 s PRO 227 Cb -0.14 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2g80 s PRO 227 CO 0.10 -1.06 1.11 -0.51 0.04 0.00 0.00 177.00 176.69 2g80 s ASP 228 N -2.27 5.64 -0.07 6.66 1.01 -1.26 -3.55 116.67 122.83 2g80 s ASP 228 Ca 0.69 2.10 0.00 0.00 0.71 0.00 0.00 52.55 56.05 2g80 s ASP 228 Cb -0.21 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.14 2g80 s ASP 228 CO 0.35 -1.27 0.00 0.61 0.21 0.00 0.00 175.17 175.07 2g80 n GLY 229 N -0.07 0.26 3.78 0.21 0.00 -1.26 -5.01 105.19 103.10 2g80 n GLY 229 Ca 0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2g80 n GLY 229 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2g80 s GLN 230 N -1.28 2.71 0.47 1.61 1.03 -1.23 -4.98 119.66 117.99 2g80 s GLN 230 Ca 0.00 1.27 0.27 0.00 0.04 0.00 0.00 55.36 56.93 2g80 s GLN 230 Cb 0.00 -1.95 0.92 0.00 0.03 0.00 0.00 33.01 32.01 2g80 s GLN 230 CO 0.00 -1.30 1.82 1.57 -2.54 0.00 0.00 175.29 174.84 2g80 h LYS 231 N -0.33 0.00 -6.34 9.60 2.10 -1.95 -3.47 116.57 116.19 2g80 h LYS 231 Ca -0.46 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.64 2g80 h LYS 231 Cb 1.24 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 2g80 h LYS 231 CO 0.54 0.13 -0.13 0.71 -2.00 0.00 0.00 179.45 178.69 2g80 s TYR 232 N -3.53 3.52 0.04 0.07 2.02 -1.26 -5.05 117.35 113.15 2g80 s TYR 232 Ca 0.02 0.92 -0.31 0.00 -0.37 0.00 0.00 57.07 57.33 2g80 s TYR 232 Cb 0.09 -2.28 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 2g80 s TYR 232 CO 0.62 0.37 1.52 -0.65 -1.57 0.00 0.00 175.55 175.84 2g80 s GLN 233 N -2.37 4.24 -0.12 -0.62 1.11 -1.26 -4.83 119.66 115.81 2g80 s GLN 233 Ca 0.42 2.16 -0.12 0.00 0.01 0.00 0.00 55.36 57.83 2g80 s GLN 233 Cb -0.13 -3.55 -0.05 0.00 -1.01 0.00 0.00 33.01 28.27 2g80 s GLN 233 CO 0.20 -0.64 0.26 0.08 0.01 0.00 0.00 175.29 175.19 2g80 s VAL 234 N 2.41 5.31 -0.17 1.09 1.01 -1.26 -0.05 120.40 128.75 2g80 s VAL 234 Ca 0.69 0.48 0.01 0.00 0.00 0.00 0.00 61.98 63.16 2g80 s VAL 234 Cb -0.36 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2g80 s VAL 234 CO 0.30 0.50 -0.19 -0.31 0.00 0.00 0.00 175.10 175.39 2g80 s TYR 235 N -0.26 2.65 -0.21 5.22 2.02 0.29 -4.92 117.35 122.14 2g80 s TYR 235 Ca 0.17 -1.51 0.18 0.00 -0.37 0.00 0.00 57.07 55.54 2g80 s TYR 235 Cb -0.13 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.62 2g80 s TYR 235 CO 0.05 -0.74 1.20 0.87 -1.57 0.00 0.00 175.55 175.36 2g80 h LYS 236 N 7.81 0.00 -3.77 -0.62 1.57 -1.85 0.26 116.57 119.97 2g80 h LYS 236 Ca -0.42 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 2g80 h LYS 236 Cb 1.15 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.38 2g80 h LYS 236 CO 0.60 0.25 -0.11 0.54 -0.57 0.00 0.00 179.45 180.16 2g80 s ASN 237 N -5.98 0.30 -0.10 0.86 2.20 -1.26 -4.68 114.94 106.28 2g80 s ASN 237 Ca 0.01 -1.17 0.16 0.00 -0.94 0.00 0.00 52.86 50.92 2g80 s ASN 237 Cb 0.08 0.64 0.56 0.00 -2.00 0.00 0.00 41.25 40.53 2g80 s ASN 237 CO 0.76 -1.26 1.48 0.49 -2.94 0.00 0.00 177.10 175.64 2g80 n PHE 238 N -0.46 1.08 0.25 1.54 3.72 -1.26 -4.71 117.46 117.62 2g80 n PHE 238 Ca -0.01 -0.65 0.12 0.00 -0.05 0.00 0.00 57.45 56.86 2g80 n PHE 238 Cb 0.62 -0.21 0.66 0.00 -0.94 0.00 0.00 39.48 39.61 2g80 n PHE 238 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2g80 h GLU 239 N 2.97 0.00 0.00 -1.08 4.11 -1.99 -1.92 114.58 116.68 2g80 h GLU 239 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2g80 h GLU 239 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2g80 h GLU 239 CO 0.17 0.15 -0.62 0.25 0.07 0.00 0.00 179.01 179.03 2g80 n THR 240 N -3.61 0.24 1.78 -1.06 -2.24 -1.26 -5.13 114.28 103.00 2g80 n THR 240 Ca -0.01 -0.20 0.15 0.00 -2.27 0.00 0.00 64.05 61.72 2g80 n THR 240 Cb 0.28 -0.01 0.76 0.00 -2.10 0.00 0.00 70.33 69.26 2g80 n THR 240 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68