#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ock s VAL 22 N 0.00 2.53 -0.12 2.46 1.01 -1.26 -4.50 120.40 120.52 2ock s VAL 22 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2ock s VAL 22 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2ock s VAL 22 CO 0.00 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 174.74 2ock s THR 23 N 0.06 4.06 -0.02 3.92 2.01 0.00 -4.92 115.64 120.76 2ock s THR 23 Ca -0.08 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.63 2ock s THR 23 Cb -0.15 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2ock s THR 23 CO 0.05 0.55 -0.07 -0.44 -0.69 0.00 0.00 174.62 174.03 2ock s SER 24 N -0.29 4.65 0.16 3.53 0.01 -1.26 -0.61 113.70 119.88 2ock s SER 24 Ca 0.05 -0.11 -0.25 0.00 1.31 0.00 0.00 55.95 56.96 2ock s SER 24 Cb -0.12 -1.11 0.07 0.00 0.21 0.00 0.00 66.02 65.06 2ock s SER 24 CO 0.02 0.30 0.99 0.00 0.41 0.00 0.00 173.24 174.96 2ock s ALA 25 N -0.95 -1.66 0.14 1.44 0.00 -0.73 -5.00 121.76 115.00 2ock s ALA 25 Ca 0.16 0.06 0.11 0.00 0.00 0.00 0.00 51.96 52.29 2ock s ALA 25 Cb -0.11 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2ock s ALA 25 CO 0.06 -1.05 -0.26 0.15 0.00 0.00 0.00 175.76 174.66 2ock s LYS 26 N -3.04 1.41 -0.02 0.00 1.02 -1.26 -1.33 119.74 116.52 2ock s LYS 26 Ca 0.14 -1.37 -0.02 0.00 0.02 0.00 0.00 55.97 54.73 2ock s LYS 26 Cb -0.01 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2ock s LYS 26 CO 0.03 0.44 0.06 0.54 -0.92 0.00 0.00 175.35 175.50 2ock s VAL 27 N -1.17 0.00 -0.19 3.17 0.11 -0.61 -4.93 120.40 116.78 2ock s VAL 27 Ca 0.15 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 2ock s VAL 27 Cb -0.10 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2ock s VAL 27 CO 0.07 -0.01 1.10 0.00 -3.33 0.00 0.00 175.10 172.93 2ock s ALA 28 N 0.00 3.63 -0.11 1.54 0.00 -1.26 -1.43 121.76 124.13 2ock s ALA 28 Ca -0.00 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 2ock s ALA 28 Cb -0.01 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.62 2ock s ALA 28 CO 0.00 -1.00 0.21 0.08 0.00 0.00 0.00 175.76 175.05 2ock s VAL 29 N 3.06 -0.33 -1.57 0.00 1.01 -0.43 -4.94 120.40 117.19 2ock s VAL 29 Ca 0.48 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2ock s VAL 29 Cb -0.18 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 35.92 2ock s VAL 29 CO 0.11 0.13 0.64 0.59 0.00 0.00 0.00 175.10 176.57 2ock n ASN 30 N 5.32 -2.17 0.00 3.32 3.02 -1.26 -1.90 115.26 121.60 2ock n ASN 30 Ca -0.06 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 2ock n ASN 30 Cb 0.50 -2.95 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 2ock n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ock n GLY 31 N -1.68 0.56 2.99 7.41 0.00 -1.26 -5.04 105.19 108.16 2ock n GLY 31 Ca -0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2ock n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ock s VAL 32 N -2.00 0.31 -0.53 1.61 0.11 -0.80 -4.96 120.40 114.14 2ock s VAL 32 Ca 0.00 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.17 2ock s VAL 32 Cb 0.00 -0.37 0.07 0.00 -1.53 0.00 0.00 36.38 34.56 2ock s VAL 32 CO 0.00 -0.26 0.64 -1.10 -3.33 0.00 0.00 175.10 171.05 2ock s GLN 33 N -1.01 3.09 0.00 1.54 -1.52 -1.26 -1.32 119.66 119.18 2ock s GLN 33 Ca -0.08 -1.04 -0.20 0.00 -1.95 0.00 0.00 55.36 52.09 2ock s GLN 33 Cb -0.07 -4.15 -0.06 0.00 -0.22 0.00 0.00 33.01 28.52 2ock s GLN 33 CO -0.00 -1.31 0.57 -0.51 -0.25 0.00 0.00 175.29 173.78 2ock s LEU 34 N 2.60 4.43 0.14 2.90 1.43 -0.52 -4.55 118.68 125.12 2ock s LEU 34 Ca 0.13 1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 54.29 2ock s LEU 34 Cb -0.21 -2.87 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 2ock s LEU 34 CO 0.10 0.15 0.44 -2.28 0.23 0.00 0.00 176.35 174.99 2ock s HIS 35 N -0.38 3.51 0.26 0.29 5.65 -1.26 -1.58 115.29 121.78 2ock s HIS 35 Ca 0.30 0.76 -0.18 0.00 0.25 0.00 0.00 55.06 56.19 2ock s HIS 35 Cb -0.18 -2.16 0.01 0.00 -1.18 0.00 0.00 32.58 29.08 2ock s HIS 35 CO 0.17 0.42 0.63 1.52 -0.65 0.00 0.00 174.74 176.83 2ock s TYR 36 N -1.59 -0.02 0.02 3.88 -0.85 -0.44 -1.12 117.35 117.23 2ock s TYR 36 Ca 0.39 -0.39 0.05 0.00 -0.52 0.00 0.00 57.07 56.60 2ock s TYR 36 Cb -0.13 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 2ock s TYR 36 CO 0.21 -1.13 -0.16 -0.65 -1.52 0.00 0.00 175.55 172.30 2ock s GLN 37 N -3.94 1.12 -0.00 -3.49 -0.21 0.00 -1.77 119.66 111.36 2ock s GLN 37 Ca 0.14 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.83 2ock s GLN 37 Cb -0.04 -1.13 -0.00 0.00 1.00 0.00 0.00 33.01 32.84 2ock s GLN 37 CO 0.06 0.29 -0.03 -1.14 -2.12 0.00 0.00 175.29 172.36 2ock s GLN 38 N -0.83 0.22 0.09 2.91 0.74 0.22 -0.29 119.66 122.71 2ock s GLN 38 Ca 0.04 -0.11 -0.15 0.00 0.05 0.00 0.00 55.36 55.20 2ock s GLN 38 Cb -0.07 -0.20 0.03 0.00 1.10 0.00 0.00 33.01 33.86 2ock s GLN 38 CO 0.01 0.05 0.35 -0.08 -0.55 0.00 0.00 175.29 175.07 2ock s THR 39 N -0.10 0.08 0.00 -0.34 -1.32 -0.16 -0.82 115.64 112.99 2ock s THR 39 Ca 0.01 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 2ock s THR 39 Cb -0.01 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2ock s THR 39 CO -0.00 -0.38 0.00 0.61 -2.21 0.00 0.00 174.62 172.64 2ock n GLY 40 N 0.08 1.07 0.00 6.08 0.00 -1.26 -0.43 105.19 110.73 2ock n GLY 40 Ca -0.17 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2ock n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ock n GLU 41 N 1.06 4.27 -1.05 1.61 4.71 -0.33 -4.72 120.64 126.19 2ock n GLU 41 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.80 2ock n GLU 41 Cb 0.00 -0.46 0.10 0.00 -1.01 0.00 0.00 31.44 30.06 2ock n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ock n GLY 42 N 0.94 -1.66 0.01 0.62 0.00 -0.43 -4.79 105.19 99.87 2ock n GLY 42 Ca 0.00 -0.55 0.15 0.00 0.00 0.00 0.00 46.02 45.61 2ock n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ock n ASP 43 N -0.91 0.03 -4.30 1.61 8.00 -1.15 -3.30 116.55 116.54 2ock n ASP 43 Ca 0.09 -0.29 -0.44 0.00 0.71 0.00 0.00 54.79 54.86 2ock n ASP 43 Cb 0.52 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 2ock n ASP 43 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2ock s HIS 44 N -2.49 3.30 0.14 1.24 2.46 -0.82 -4.94 115.29 114.19 2ock s HIS 44 Ca 0.31 -1.37 -0.30 0.00 0.47 0.00 0.00 55.06 54.17 2ock s HIS 44 Cb 0.21 -3.52 -0.07 0.00 -0.13 0.00 0.00 32.58 29.07 2ock s HIS 44 CO 0.45 -0.95 1.11 0.00 -2.47 0.00 0.00 174.74 172.87 2ock s ALA 45 N 1.54 3.36 -0.04 1.58 0.00 -1.26 -1.99 121.76 124.95 2ock s ALA 45 Ca 0.04 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2ock s ALA 45 Cb -0.27 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.49 2ock s ALA 45 CO 0.03 -0.25 -0.08 0.08 0.00 0.00 0.00 175.76 175.54 2ock s VAL 46 N 0.07 0.76 -0.19 0.00 1.01 -0.07 -1.27 120.40 120.72 2ock s VAL 46 Ca 0.51 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2ock s VAL 46 Cb -0.29 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2ock s VAL 46 CO 0.33 0.26 0.05 -0.22 0.00 0.00 0.00 175.10 175.52 2ock s LEU 47 N 0.58 3.68 -0.28 3.92 2.96 -0.72 -1.33 118.68 127.49 2ock s LEU 47 Ca -0.09 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 2ock s LEU 47 Cb -0.13 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 2ock s LEU 47 CO 0.01 0.15 0.19 -0.76 -1.32 0.00 0.00 176.35 174.62 2ock s LEU 48 N 0.52 4.04 -0.27 -0.68 1.43 0.39 -0.80 118.68 123.31 2ock s LEU 48 Ca 0.02 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 2ock s LEU 48 Cb -0.13 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2ock s LEU 48 CO 0.01 -0.06 0.11 -0.76 0.23 0.00 0.00 176.35 175.88 2ock s LEU 49 N 1.75 3.67 0.74 1.79 1.02 0.38 -3.05 118.68 124.98 2ock s LEU 49 Ca 0.07 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 53.87 2ock s LEU 49 Cb -0.16 -1.97 0.03 0.00 0.02 0.00 0.00 46.19 44.11 2ock s LEU 49 CO 0.11 -0.07 1.08 -2.16 0.02 0.00 0.00 176.35 175.32 2ock s PRO 50 N 1.64 2.60 0.00 1.29 0.04 -1.26 -1.33 135.00 137.97 2ock s PRO 50 Ca 0.06 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2ock s PRO 50 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2ock s PRO 50 CO 0.05 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2ock n GLY 51 N -2.10 -0.25 3.63 0.56 0.00 -1.11 -2.81 105.19 103.09 2ock n GLY 51 Ca 0.07 -1.79 -0.50 0.00 0.00 0.00 0.00 46.02 43.81 2ock n GLY 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ock n MET 52 N -0.85 1.57 -0.83 1.61 0.00 -1.26 -0.47 117.12 116.90 2ock n MET 52 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 57.70 58.27 2ock n MET 52 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 30.95 2ock n MET 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2ock n LEU 53 N 3.03 0.83 -4.84 3.17 4.32 -1.26 -4.96 117.00 117.28 2ock n LEU 53 Ca 0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.87 2ock n LEU 53 Cb 0.23 -1.78 0.19 0.00 -1.62 0.00 0.00 43.42 40.44 2ock n LEU 53 CO 0.63 -0.66 0.80 -0.83 -1.22 0.00 0.00 177.39 176.12 2ock s GLY 54 N -2.00 1.71 0.11 -0.72 0.00 0.38 -4.54 107.32 102.27 2ock s GLY 54 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 43.40 2ock s GLY 54 CO 0.00 -0.30 0.80 -1.35 0.00 0.00 0.00 173.10 172.25 2ock s SER 55 N -4.59 -0.37 0.28 1.64 1.04 -1.26 -3.41 113.70 107.03 2ock s SER 55 Ca 0.72 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 2ock s SER 55 Cb -0.06 0.51 0.36 0.00 0.10 0.00 0.00 66.02 66.93 2ock s SER 55 CO 0.53 -0.87 1.95 1.23 0.98 0.00 0.00 173.24 177.06 2ock h GLY 56 N 2.00 1.26 1.40 7.32 0.00 -1.81 0.10 103.07 113.35 2ock h GLY 56 Ca -0.25 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 2ock h GLY 56 CO 0.31 0.47 0.16 0.83 0.00 0.00 0.00 176.54 178.31 2ock h GLU 57 N 1.22 0.77 0.00 4.80 3.07 -1.93 -2.48 114.58 120.01 2ock h GLU 57 Ca 0.33 -0.13 -0.24 0.00 -0.50 0.00 0.00 59.36 58.81 2ock h GLU 57 Cb -0.12 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.61 2ock h GLU 57 CO -0.07 0.67 -2.24 0.25 -1.40 0.00 0.00 179.01 176.22 2ock n THR 58 N -4.31 0.91 -0.03 1.13 -2.24 -0.99 -4.54 114.28 104.22 2ock n THR 58 Ca 0.04 -0.73 0.06 0.00 -2.27 0.00 0.00 64.05 61.15 2ock n THR 58 Cb 0.19 -0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 67.96 2ock n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ock n ASP 59 N -2.58 0.26 -1.60 3.42 9.92 0.33 -4.73 116.55 121.56 2ock n ASP 59 Ca -0.23 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.01 2ock n ASP 59 Cb 0.95 1.74 0.09 0.00 -0.64 0.00 0.00 41.12 43.26 2ock n ASP 59 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2ock n PHE 60 N -2.32 0.87 0.04 1.24 3.01 -0.94 -4.89 117.46 114.47 2ock n PHE 60 Ca -0.10 -1.52 -0.12 0.00 1.01 0.00 0.00 57.45 56.72 2ock n PHE 60 Cb 0.66 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.84 2ock n PHE 60 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2ock h GLY 61 N 1.58 -0.53 1.77 1.37 0.00 -1.80 -1.50 103.07 103.97 2ock h GLY 61 Ca -0.00 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 2ock h GLY 61 CO 0.24 -0.23 0.12 -2.55 0.00 0.00 0.00 176.54 174.12 2ock h PRO 62 N -0.46 0.30 0.02 4.80 0.11 -1.90 -2.60 132.00 132.28 2ock h PRO 62 Ca 0.07 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 2ock h PRO 62 Cb 0.56 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.62 2ock h PRO 62 CO -0.30 0.23 -0.42 1.96 -0.21 0.00 0.00 178.00 179.26 2ock h GLN 63 N 0.31 0.24 0.00 1.05 7.50 -1.84 -0.41 115.11 121.96 2ock h GLN 63 Ca 0.08 -0.29 -0.00 0.00 0.50 0.00 0.00 58.65 58.94 2ock h GLN 63 Cb 0.01 0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.63 2ock h GLN 63 CO -0.01 1.03 -0.01 -0.07 -1.50 0.00 0.00 178.83 178.27 2ock h LEU 64 N -0.42 0.00 0.00 1.46 3.38 -1.15 -1.83 115.31 116.75 2ock h LEU 64 Ca -0.06 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.53 2ock h LEU 64 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 2ock h LEU 64 CO 0.08 0.01 -2.46 2.29 0.09 0.00 0.00 178.44 178.45 2ock n LYS 65 N -3.62 0.66 -0.03 1.13 2.85 -0.99 -4.77 118.16 113.39 2ock n LYS 65 Ca -0.03 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2ock n LYS 65 Cb 0.09 -1.52 -0.14 0.00 -0.65 0.00 0.00 35.03 32.82 2ock n LYS 65 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2ock n ASN 66 N -3.14 0.28 -4.69 -5.58 5.03 -0.17 -4.95 115.26 102.03 2ock n ASN 66 Ca -0.43 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 54.72 2ock n ASN 66 Cb 1.03 1.05 0.00 0.00 -1.02 0.00 0.00 39.78 40.84 2ock n ASN 66 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2ock n LEU 67 N -2.63 3.70 -4.48 3.41 4.77 -0.70 -4.75 117.00 116.30 2ock n LEU 67 Ca -0.16 1.16 -0.47 0.00 -0.03 0.00 0.00 56.01 56.51 2ock n LEU 67 Cb 0.86 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 2ock n LEU 67 CO 0.44 -0.60 1.87 -3.20 -1.33 0.00 0.00 177.39 174.56 2ock n ASN 68 N 0.52 2.20 0.02 -1.43 2.85 -1.26 -4.82 115.26 113.34 2ock n ASN 68 Ca 0.06 0.24 0.10 0.00 -0.11 0.00 0.00 54.58 54.87 2ock n ASN 68 Cb 0.38 -1.33 0.43 0.00 1.24 0.00 0.00 39.78 40.51 2ock n ASN 68 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2ock n LYS 69 N 8.42 0.04 0.06 1.20 5.02 -1.26 -1.13 118.16 130.51 2ock n LYS 69 Ca 0.41 0.19 -0.22 0.00 -2.02 0.00 0.00 58.31 56.67 2ock n LYS 69 Cb 0.29 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 2ock n LYS 69 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2ock h LYS 70 N 0.00 0.35 0.15 1.97 3.64 -1.95 -0.74 116.57 119.99 2ock h LYS 70 Ca 0.00 -0.60 -0.32 0.00 -1.27 0.00 0.00 60.65 58.46 2ock h LYS 70 Cb 0.38 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2ock h LYS 70 CO 0.00 1.26 -1.54 -0.07 -2.27 0.00 0.00 179.45 176.84 2ock h LEU 71 N 0.10 0.49 -9.27 5.20 -0.00 -1.89 -3.24 115.31 106.71 2ock h LEU 71 Ca -0.34 -0.65 -0.59 0.00 -0.00 0.00 0.00 57.88 56.30 2ock h LEU 71 Cb 2.08 -0.16 -0.14 0.00 -0.00 0.00 0.00 40.66 42.44 2ock h LEU 71 CO 0.16 1.54 -0.72 -0.36 -0.00 0.00 0.00 178.44 179.06 2ock s PHE 72 N -2.61 2.27 -0.22 1.13 0.40 -0.29 -1.94 117.98 116.72 2ock s PHE 72 Ca -0.10 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2ock s PHE 72 Cb 0.06 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.50 2ock s PHE 72 CO 0.87 0.61 -0.15 0.99 0.70 0.00 0.00 175.22 178.24 2ock s THR 73 N -2.61 2.16 -0.16 0.64 2.01 -0.84 -1.31 115.64 115.52 2ock s THR 73 Ca 0.30 -1.28 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 2ock s THR 73 Cb -0.01 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2ock s THR 73 CO 0.15 0.25 0.00 -0.69 -0.69 0.00 0.00 174.62 173.64 2ock s VAL 74 N 1.20 4.26 -0.06 3.82 1.01 0.43 -0.90 120.40 130.16 2ock s VAL 74 Ca -0.02 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2ock s VAL 74 Cb -0.17 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2ock s VAL 74 CO -0.09 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.64 2ock s VAL 75 N 0.34 1.46 -0.23 2.92 1.01 -0.44 -0.98 120.40 124.47 2ock s VAL 75 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2ock s VAL 75 Cb -0.13 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.01 2ock s VAL 75 CO 0.02 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.42 2ock s ALA 76 N 0.26 2.54 0.27 5.51 0.00 0.60 -0.46 121.76 130.47 2ock s ALA 76 Ca -0.09 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.42 2ock s ALA 76 Cb -0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2ock s ALA 76 CO 0.04 -0.78 0.41 1.67 0.00 0.00 0.00 175.76 177.09 2ock s TRP 77 N 1.24 3.46 -0.29 0.00 1.48 -1.17 -0.82 118.94 122.85 2ock s TRP 77 Ca -0.01 0.08 -0.06 0.00 -1.06 0.00 0.00 56.10 55.05 2ock s TRP 77 Cb -0.17 -1.66 0.02 0.00 -1.16 0.00 0.00 33.47 30.50 2ock s TRP 77 CO -0.07 0.36 0.05 -0.51 -4.06 0.00 0.00 176.95 172.72 2ock s ASP 78 N -3.97 5.00 0.73 -2.66 1.01 -0.27 -4.06 116.67 112.44 2ock s ASP 78 Ca 0.36 -0.82 -0.15 0.00 0.71 0.00 0.00 52.55 52.65 2ock s ASP 78 Cb -0.09 -1.83 0.04 0.00 1.01 0.00 0.00 42.92 42.04 2ock s ASP 78 CO 0.31 -0.20 1.23 -2.65 0.21 0.00 0.00 175.17 174.07 2ock n PRO 79 N 4.81 0.61 -1.63 8.23 -0.02 -1.26 -4.37 135.00 141.36 2ock n PRO 79 Ca -0.15 0.27 -0.47 0.00 -2.02 0.00 0.00 63.50 61.14 2ock n PRO 79 Cb 0.47 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 2ock n PRO 79 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2ock n ARG 80 N -2.60 1.70 -0.04 -0.52 1.85 -1.26 -0.68 116.66 115.10 2ock n ARG 80 Ca 0.15 0.61 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 2ock n ARG 80 Cb 0.49 -2.23 0.00 0.00 -1.05 0.00 0.00 32.46 29.67 2ock n ARG 80 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ock n GLY 81 N 2.32 2.14 3.68 2.89 0.00 -0.02 -4.66 105.19 111.54 2ock n GLY 81 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2ock n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ock s TYR 82 N -2.78 2.69 0.00 1.61 4.12 0.14 -4.15 117.35 118.99 2ock s TYR 82 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.07 56.80 2ock s TYR 82 Cb 0.00 -1.38 0.00 0.00 -1.52 0.00 0.00 41.96 39.06 2ock s TYR 82 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 175.55 176.49 2ock n GLY 83 N -0.99 3.30 1.21 0.71 0.00 -1.22 -1.40 105.19 106.80 2ock n GLY 83 Ca -0.05 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2ock n GLY 83 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ock n HIS 84 N 14.00 0.90 -1.83 1.61 8.25 -1.26 -4.61 115.22 132.28 2ock n HIS 84 Ca 0.00 -0.51 -0.39 0.00 -0.26 0.00 0.00 57.72 56.56 2ock n HIS 84 Cb 0.00 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 2ock n HIS 84 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2ock n SER 85 N 1.35 8.11 -3.82 0.41 7.64 -0.50 -4.57 113.62 122.25 2ock n SER 85 Ca 0.22 -3.03 -0.19 0.00 1.01 0.00 0.00 58.87 56.88 2ock n SER 85 Cb 0.60 -1.40 -0.17 0.00 -1.01 0.00 0.00 64.21 62.24 2ock n SER 85 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2ock s ARG 86 N -0.50 0.49 0.91 1.43 0.52 -1.26 -0.84 118.95 119.70 2ock s ARG 86 Ca 0.58 0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 55.72 2ock s ARG 86 Cb 0.19 -0.68 0.14 0.00 0.52 0.00 0.00 34.95 35.12 2ock s ARG 86 CO -0.09 -0.16 1.10 -1.25 0.02 0.00 0.00 175.30 174.92 2ock s PRO 87 N 1.23 1.13 0.87 3.54 0.04 -1.26 -5.07 135.00 135.48 2ock s PRO 87 Ca -0.07 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2ock s PRO 87 Cb -0.13 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.80 2ock s PRO 87 CO -0.02 -2.41 1.21 -1.25 0.04 0.00 0.00 177.00 174.57 2ock s PRO 88 N -4.78 1.08 0.43 0.56 0.04 -1.25 -4.47 135.00 126.61 2ock s PRO 88 Ca 0.64 -0.57 -0.12 0.00 0.04 0.00 0.00 61.00 61.00 2ock s PRO 88 Cb -0.20 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 2ock s PRO 88 CO 0.58 -2.04 0.82 -0.51 0.04 0.00 0.00 177.00 175.89 2ock s ASP 89 N -4.81 6.53 0.17 6.66 1.11 -1.26 -3.23 116.67 121.85 2ock s ASP 89 Ca 0.71 1.23 -0.30 0.00 0.18 0.00 0.00 52.55 54.36 2ock s ASP 89 Cb -0.05 -2.36 -0.07 0.00 1.07 0.00 0.00 42.92 41.50 2ock s ASP 89 CO 0.50 -0.45 1.05 -0.60 1.18 0.00 0.00 175.17 176.85 2ock s ARG 90 N -3.93 4.65 0.11 8.23 6.06 -1.26 -4.65 118.95 128.16 2ock s ARG 90 Ca 0.53 1.63 0.01 0.00 -2.50 0.00 0.00 55.73 55.40 2ock s ARG 90 Cb -0.10 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.57 2ock s ARG 90 CO 0.32 0.17 -0.05 0.16 -2.50 0.00 0.00 175.30 173.40 2ock s ASP 91 N -0.23 1.05 -0.59 -2.12 -4.77 -1.26 -5.03 116.67 103.72 2ock s ASP 91 Ca 0.48 -1.04 0.06 0.00 -3.30 0.00 0.00 52.55 48.74 2ock s ASP 91 Cb -0.28 0.12 0.21 0.00 -1.09 0.00 0.00 42.92 41.88 2ock s ASP 91 CO 0.33 -0.51 0.55 0.49 0.70 0.00 0.00 175.17 176.74 2ock n PHE 92 N -0.06 2.14 -1.37 2.11 3.01 -1.26 -4.98 117.46 117.05 2ock n PHE 92 Ca -0.11 -3.98 -0.29 0.00 1.01 0.00 0.00 57.45 54.07 2ock n PHE 92 Cb 0.61 -0.41 0.13 0.00 -0.01 0.00 0.00 39.48 39.80 2ock n PHE 92 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ock s PRO 93 N -1.49 1.29 0.55 -1.08 0.04 -1.26 -4.79 135.00 128.26 2ock s PRO 93 Ca 0.32 0.59 0.30 0.00 0.04 0.00 0.00 61.00 62.26 2ock s PRO 93 Cb 0.06 -1.83 1.47 0.00 0.04 0.00 0.00 34.50 34.24 2ock s PRO 93 CO -0.12 -2.16 1.89 0.00 0.04 0.00 0.00 177.00 176.65 2ock h ALA 94 N -1.48 2.67 -0.39 8.56 0.00 -1.99 0.06 119.26 126.69 2ock h ALA 94 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2ock h ALA 94 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ock h ALA 94 CO 0.58 -1.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.43 2ock n ASP 95 N -4.11 4.54 -0.05 0.00 3.85 -1.26 -4.72 116.55 114.79 2ock n ASP 95 Ca 0.16 -2.93 0.19 0.00 -0.71 0.00 0.00 54.79 51.50 2ock n ASP 95 Cb 0.88 -0.58 0.64 0.00 -1.35 0.00 0.00 41.12 40.71 2ock n ASP 95 CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 2ock h PHE 96 N 2.67 0.12 -0.32 2.11 -5.15 -1.31 0.63 116.94 115.70 2ock h PHE 96 Ca 0.00 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.61 2ock h PHE 96 Cb 1.61 -0.04 -0.00 0.00 0.22 0.00 0.00 35.95 37.73 2ock h PHE 96 CO 0.71 0.05 -0.45 0.74 -2.00 0.00 0.00 178.31 177.36 2ock h PHE 97 N 0.11 1.03 0.00 6.09 -1.00 -1.84 -1.66 116.94 119.66 2ock h PHE 97 Ca 0.29 -0.33 -0.13 0.00 2.81 0.00 0.00 57.97 60.61 2ock h PHE 97 Cb 0.99 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 2ock h PHE 97 CO -0.00 1.13 -0.61 0.93 -1.61 0.00 0.00 178.31 178.15 2ock h GLU 98 N 0.67 0.00 -0.38 1.51 5.08 -1.31 -1.34 114.58 118.81 2ock h GLU 98 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 2ock h GLU 98 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2ock h GLU 98 CO 0.10 0.61 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.30 2ock h ARG 99 N 0.00 0.90 -0.40 2.33 2.43 -0.97 -1.50 114.38 117.18 2ock h ARG 99 Ca -0.01 -0.46 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 2ock h ARG 99 Cb 1.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2ock h ARG 99 CO 0.08 1.11 -0.11 -0.44 -1.51 0.00 0.00 179.97 179.10 2ock h ASP 100 N 0.71 0.69 -0.28 -3.80 3.32 -1.16 -1.35 116.42 114.56 2ock h ASP 100 Ca 0.07 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 2ock h ASP 100 Cb 0.92 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2ock h ASP 100 CO 0.09 0.83 -0.13 0.00 -1.72 0.00 0.00 179.24 178.31 2ock h ALA 101 N 1.24 1.05 -0.26 3.45 0.00 -0.96 -0.23 119.26 123.55 2ock h ALA 101 Ca 0.11 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2ock h ALA 101 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ock h ALA 101 CO 0.03 0.58 -0.24 -0.22 0.00 0.00 0.00 179.25 179.40 2ock h LYS 102 N 0.63 0.63 -0.75 0.00 3.64 -1.02 -2.52 116.57 117.18 2ock h LYS 102 Ca 0.11 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 2ock h LYS 102 Cb 0.58 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2ock h LYS 102 CO 0.04 0.92 0.26 -0.44 -2.27 0.00 0.00 179.45 177.96 2ock h ASP 103 N 0.35 1.07 0.05 4.20 3.32 -1.05 0.97 116.42 125.34 2ock h ASP 103 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2ock h ASP 103 Cb 0.80 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2ock h ASP 103 CO 0.06 0.98 -0.04 0.00 -1.72 0.00 0.00 179.24 178.52 2ock h ALA 104 N 1.13 -0.08 -0.28 3.45 0.00 -0.99 0.36 119.26 122.84 2ock h ALA 104 Ca 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 2ock h ALA 104 Cb 0.28 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ock h ALA 104 CO -0.01 -0.55 -0.53 0.28 0.00 0.00 0.00 179.25 178.44 2ock h VAL 105 N -0.10 1.28 -0.35 0.00 2.07 -1.33 -2.48 116.25 115.35 2ock h VAL 105 Ca 0.00 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 2ock h VAL 105 Cb 0.09 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2ock h VAL 105 CO -0.01 0.56 0.03 0.44 0.02 0.00 0.00 177.57 178.61 2ock h ASP 106 N 0.64 0.49 -0.21 0.57 3.32 -0.56 -0.15 116.42 120.52 2ock h ASP 106 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ock h ASP 106 Cb 1.12 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2ock h ASP 106 CO 0.12 0.54 0.07 0.25 -1.72 0.00 0.00 179.24 178.50 2ock h LEU 107 N 0.51 0.30 -0.77 1.55 6.46 -0.15 0.40 115.31 123.61 2ock h LEU 107 Ca 0.11 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 2ock h LEU 107 Cb 0.29 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2ock h LEU 107 CO 0.01 0.40 0.22 0.24 -0.62 0.00 0.00 178.44 178.69 2ock h MET 108 N 0.17 1.14 -0.66 1.25 2.86 -0.97 -1.08 114.93 117.65 2ock h MET 108 Ca 0.07 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 2ock h MET 108 Cb 0.21 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2ock h MET 108 CO -0.00 0.98 0.21 0.87 1.06 0.00 0.00 176.91 180.02 2ock h LYS 109 N 1.10 1.01 -0.38 1.72 1.57 -0.76 -1.34 116.57 119.49 2ock h LYS 109 Ca 0.24 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2ock h LYS 109 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ock h LYS 109 CO -0.01 0.86 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 2ock h ALA 110 N 1.25 1.71 -0.24 3.86 0.00 0.61 -0.54 119.26 125.92 2ock h ALA 110 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ock h ALA 110 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ock h ALA 110 CO -0.01 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2ock n LEU 111 N -4.47 1.56 -0.63 0.00 4.77 -0.48 -4.92 117.00 112.83 2ock n LEU 111 Ca 0.03 -0.78 -0.08 0.00 -0.03 0.00 0.00 56.01 55.14 2ock n LEU 111 Cb 0.07 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2ock n LEU 111 CO 0.35 0.34 -0.08 0.29 -1.33 0.00 0.00 177.39 176.96 2ock n LYS 112 N 0.22 -0.73 -2.90 3.23 4.76 -0.21 -5.01 118.16 117.52 2ock n LYS 112 Ca 0.08 0.74 -0.40 0.00 -2.87 0.00 0.00 58.31 55.87 2ock n LYS 112 Cb 0.28 -4.62 -0.06 0.00 -1.84 0.00 0.00 35.03 28.79 2ock n LYS 112 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2ock s PHE 113 N -2.22 3.93 -0.41 2.13 0.40 -1.01 -4.95 117.98 115.85 2ock s PHE 113 Ca 0.00 1.73 0.23 0.00 -0.60 0.00 0.00 56.93 58.28 2ock s PHE 113 Cb 0.00 -2.85 0.05 0.00 0.51 0.00 0.00 43.02 40.74 2ock s PHE 113 CO 0.00 0.48 1.04 1.63 0.70 0.00 0.00 175.22 179.08 2ock n LYS 114 N 1.64 0.45 -3.55 0.44 5.02 -1.26 -4.44 118.16 116.46 2ock n LYS 114 Ca -0.04 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 2ock n LYS 114 Cb 0.48 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2ock n LYS 114 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ock s LYS 115 N -3.29 0.86 0.08 1.97 2.20 -1.26 -4.85 119.74 115.44 2ock s LYS 115 Ca 0.01 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.73 2ock s LYS 115 Cb 0.12 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.86 2ock s LYS 115 CO 0.79 -0.27 0.26 0.14 -0.36 0.00 0.00 175.35 175.91 2ock s VAL 116 N -1.14 0.11 0.23 4.02 -7.23 -0.42 -4.54 120.40 111.43 2ock s VAL 116 Ca -0.07 -0.92 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2ock s VAL 116 Cb -0.00 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2ock s VAL 116 CO 0.06 -0.51 0.28 -0.44 -0.31 0.00 0.00 175.10 174.19 2ock s SER 117 N -2.59 5.99 -0.04 4.85 0.01 -0.39 -1.07 113.70 120.47 2ock s SER 117 Ca 0.01 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.28 2ock s SER 117 Cb 0.02 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 2ock s SER 117 CO -0.09 -0.04 -0.19 -0.76 0.41 0.00 0.00 173.24 172.58 2ock s LEU 118 N -3.78 1.98 -0.33 2.44 1.43 -0.21 -1.75 118.68 118.46 2ock s LEU 118 Ca 0.33 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 2ock s LEU 118 Cb -0.09 -1.04 0.09 0.00 0.03 0.00 0.00 46.19 45.18 2ock s LEU 118 CO 0.27 0.20 0.03 -0.76 0.23 0.00 0.00 176.35 176.32 2ock s LEU 119 N -0.17 4.46 -0.20 1.79 1.02 0.02 -0.17 118.68 125.42 2ock s LEU 119 Ca 0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 54.13 52.21 2ock s LEU 119 Cb -0.10 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 2ock s LEU 119 CO 0.01 -0.35 -0.07 -0.83 0.02 0.00 0.00 176.35 175.14 2ock s GLY 120 N 1.07 1.58 -0.24 -3.19 0.00 0.27 -0.47 107.32 106.34 2ock s GLY 120 Ca 0.05 -1.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.55 2ock s GLY 120 CO -0.06 0.32 0.12 0.86 0.00 0.00 0.00 173.10 174.33 2ock s TRP 121 N 1.27 3.22 0.00 1.90 -0.00 -0.44 -1.55 118.94 123.34 2ock s TRP 121 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 56.10 56.14 2ock s TRP 121 Cb -0.14 -2.24 0.00 0.00 -0.00 0.00 0.00 33.47 31.09 2ock s TRP 121 CO -0.03 -0.06 0.00 0.45 -0.00 0.00 0.00 176.95 177.31 2ock n SER 122 N 4.41 0.00 0.21 5.86 2.88 0.11 -0.07 113.62 127.02 2ock n SER 122 Ca -0.15 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.57 2ock n SER 122 Cb 0.52 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.81 2ock n SER 122 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2ock h ASN 123 N 0.00 0.00 0.76 -3.46 -0.26 -1.82 0.96 115.58 111.76 2ock h ASN 123 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 2ock h ASN 123 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2ock h ASN 123 CO 0.00 0.00 -0.43 1.23 -1.06 0.00 0.00 177.43 177.17 2ock h GLY 124 N 0.00 0.00 1.73 2.83 0.00 -0.31 -1.54 103.07 105.77 2ock h GLY 124 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.20 2ock h GLY 124 CO -0.00 0.00 -0.99 -1.33 0.00 0.00 0.00 176.54 174.22 2ock h GLY 125 N 1.95 0.26 0.88 4.60 0.00 0.93 -1.37 103.07 110.32 2ock h GLY 125 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2ock h GLY 125 CO 0.06 0.45 0.06 -2.22 0.00 0.00 0.00 176.54 174.89 2ock h ILE 126 N 0.11 1.16 -0.87 2.60 2.04 -1.07 -0.63 117.51 120.84 2ock h ILE 126 Ca -0.07 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2ock h ILE 126 Cb 1.65 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 2ock h ILE 126 CO 0.15 0.15 0.56 0.74 0.00 0.00 0.00 178.15 179.75 2ock h THR 127 N 0.09 1.09 -0.57 -0.27 2.02 -1.22 -1.55 112.91 112.50 2ock h THR 127 Ca 0.05 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 2ock h THR 127 Cb 0.18 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 2ock h THR 127 CO -0.00 0.19 -0.02 0.00 0.37 0.00 0.00 175.52 176.06 2ock h ALA 128 N 1.39 0.89 -0.72 6.16 0.00 -0.90 -0.11 119.26 125.96 2ock h ALA 128 Ca 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ock h ALA 128 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ock h ALA 128 CO -0.14 0.65 0.39 -0.07 0.00 0.00 0.00 179.25 180.08 2ock h LEU 129 N 0.92 0.90 -0.10 0.00 3.38 -0.53 -1.33 115.31 118.55 2ock h LEU 129 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ock h LEU 129 Cb 0.56 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ock h LEU 129 CO 0.03 0.73 0.02 0.40 0.09 0.00 0.00 178.44 179.71 2ock h ILE 130 N 0.99 1.21 -0.67 1.22 2.04 -0.98 -2.19 117.51 119.13 2ock h ILE 130 Ca 0.25 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2ock h ILE 130 Cb 0.04 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2ock h ILE 130 CO -0.04 0.18 0.37 0.00 0.00 0.00 0.00 178.15 178.66 2ock h ALA 131 N 0.80 0.89 -0.66 1.87 0.00 -0.80 0.05 119.26 121.40 2ock h ALA 131 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2ock h ALA 131 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2ock h ALA 131 CO 0.00 0.05 0.22 0.00 0.00 0.00 0.00 179.25 179.52 2ock h ALA 132 N 1.34 1.14 -0.20 0.00 0.00 -1.18 0.29 119.26 120.65 2ock h ALA 132 Ca 0.30 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2ock h ALA 132 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ock h ALA 132 CO -0.18 0.60 -0.56 0.00 0.00 0.00 0.00 179.25 179.11 2ock h ALA 133 N 1.27 0.64 0.00 0.00 0.00 -0.73 -2.71 119.26 117.73 2ock h ALA 133 Ca 0.22 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2ock h ALA 133 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ock h ALA 133 CO -0.01 0.69 -1.21 0.87 0.00 0.00 0.00 179.25 179.59 2ock h LYS 134 N 0.48 0.00 -2.08 0.00 1.57 -0.73 -3.39 116.57 112.41 2ock h LYS 134 Ca 0.01 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2ock h LYS 134 Cb 1.11 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.02 2ock h LYS 134 CO 0.11 0.32 -0.96 0.66 -0.57 0.00 0.00 179.45 179.00 2ock n TYR 135 N -2.95 1.84 -0.01 -1.35 4.02 0.10 -4.96 117.16 113.85 2ock n TYR 135 Ca -0.07 -3.85 0.12 0.00 -0.01 0.00 0.00 57.90 54.09 2ock n TYR 135 Cb 0.80 -0.44 0.54 0.00 -0.02 0.00 0.00 39.34 40.22 2ock n TYR 135 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2ock h PRO 136 N 2.98 0.30 0.00 -0.72 0.13 -1.66 -1.75 132.00 131.28 2ock h PRO 136 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2ock h PRO 136 Cb 0.78 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2ock h PRO 136 CO 0.64 0.20 0.00 0.66 -0.23 0.00 0.00 178.00 179.26 2ock h SER 137 N 0.31 0.00 0.52 1.44 4.64 -1.93 -3.12 113.55 115.42 2ock h SER 137 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2ock h SER 137 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2ock h SER 137 CO -0.05 0.00 -1.36 0.00 -0.87 0.00 0.00 176.83 174.55 2ock n TYR 138 N -2.58 0.48 -3.81 4.77 9.36 -0.67 -4.90 117.16 119.81 2ock n TYR 138 Ca 0.03 0.14 -0.36 0.00 3.32 0.00 0.00 57.90 61.03 2ock n TYR 138 Cb 0.32 -0.69 -0.10 0.00 -0.63 0.00 0.00 39.34 38.24 2ock n TYR 138 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2ock s ILE 139 N -3.38 4.98 -0.06 2.97 -1.09 -1.17 -1.30 121.20 122.13 2ock s ILE 139 Ca -0.02 0.04 -0.02 0.00 -2.23 0.00 0.00 60.65 58.42 2ock s ILE 139 Cb 0.12 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2ock s ILE 139 CO 0.84 0.39 -0.04 -0.74 -1.23 0.00 0.00 174.94 174.15 2ock h HIS 140 N 7.32 0.00 -4.62 3.97 -0.00 -1.40 -3.46 115.15 116.96 2ock h HIS 140 Ca -0.38 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.70 2ock h HIS 140 Cb 1.17 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.44 2ock h HIS 140 CO 0.63 0.00 -0.55 0.15 -0.00 0.00 0.00 177.93 178.16 2ock s LYS 141 N -1.45 1.39 -0.13 5.26 1.02 -1.26 -4.12 119.74 120.45 2ock s LYS 141 Ca -0.03 -1.72 -0.25 0.00 0.02 0.00 0.00 55.97 53.98 2ock s LYS 141 Cb 0.00 0.30 0.06 0.00 -0.52 0.00 0.00 37.83 37.67 2ock s LYS 141 CO 0.05 -0.48 0.61 0.00 -0.92 0.00 0.00 175.35 174.61 2ock s MET 142 N -3.92 0.87 -0.10 1.68 0.23 -0.88 -1.05 119.30 116.13 2ock s MET 142 Ca 0.39 0.47 -0.00 0.00 -1.03 0.00 0.00 55.69 55.51 2ock s MET 142 Cb 0.05 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.79 2ock s MET 142 CO 0.16 -0.21 -0.07 0.08 -2.03 0.00 0.00 175.02 172.96 2ock s VAL 143 N -0.55 0.93 0.07 5.16 1.01 0.76 -1.18 120.40 126.60 2ock s VAL 143 Ca -0.07 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2ock s VAL 143 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2ock s VAL 143 CO 0.05 0.35 -0.13 0.27 0.00 0.00 0.00 175.10 175.64 2ock s ILE 144 N 1.63 1.06 -0.11 2.22 -4.36 -0.66 -0.56 121.20 120.41 2ock s ILE 144 Ca 0.03 -1.32 -0.14 0.00 -0.26 0.00 0.00 60.65 58.96 2ock s ILE 144 Cb -0.13 -1.06 0.03 0.00 1.25 0.00 0.00 42.46 42.55 2ock s ILE 144 CO -0.07 -0.27 0.36 -1.66 0.24 0.00 0.00 174.94 173.55 2ock s TRP 145 N -1.39 -0.37 -0.62 1.37 -2.14 -0.60 -1.40 118.94 113.79 2ock s TRP 145 Ca -0.02 0.85 0.00 0.00 2.66 0.00 0.00 56.10 59.60 2ock s TRP 145 Cb -0.09 0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 2ock s TRP 145 CO 0.02 -0.24 0.00 0.41 -2.66 0.00 0.00 176.95 174.48 2ock n GLY 146 N 2.54 0.76 3.91 3.67 0.00 -1.25 0.04 105.19 114.86 2ock n GLY 146 Ca -0.15 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2ock n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ock s ALA 147 N -2.23 3.68 -0.05 4.61 0.00 -1.26 -4.04 121.76 122.46 2ock s ALA 147 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2ock s ALA 147 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.94 2ock s ALA 147 CO 0.00 0.24 0.01 0.54 0.00 0.00 0.00 175.76 176.56 2ock s ASN 148 N -3.29 1.24 0.00 0.00 4.22 -1.26 -4.46 114.94 111.39 2ock s ASN 148 Ca 0.42 -0.03 0.29 0.00 -2.14 0.00 0.00 52.86 51.40 2ock s ASN 148 Cb -0.11 -0.32 1.53 0.00 1.28 0.00 0.00 41.25 43.62 2ock s ASN 148 CO 0.31 -0.19 2.02 0.00 -2.04 0.00 0.00 177.10 177.20 2ock n ALA 149 N 4.96 2.46 -3.81 3.54 0.00 -1.26 -4.85 120.51 121.55 2ock n ALA 149 Ca -0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 2ock n ALA 149 Cb 0.50 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 2ock n ALA 149 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2ock s TYR 150 N -2.42 -0.13 -0.13 0.00 -0.85 -1.26 -0.62 117.35 111.94 2ock s TYR 150 Ca 0.32 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 2ock s TYR 150 Cb 0.19 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 43.21 2ock s TYR 150 CO 0.41 -1.25 -0.15 0.08 -1.52 0.00 0.00 175.55 173.12 2ock s VAL 151 N -3.80 2.87 0.43 -3.49 1.01 0.45 -4.91 120.40 112.95 2ock s VAL 151 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2ock s VAL 151 Cb -0.06 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2ock s VAL 151 CO 0.08 0.53 0.15 0.35 0.00 0.00 0.00 175.10 176.21 2ock n THR 152 N 3.59 0.00 -0.05 3.92 -2.24 -1.26 -4.53 114.28 113.71 2ock n THR 152 Ca -0.18 -1.87 -0.05 0.00 -2.27 0.00 0.00 64.05 59.68 2ock n THR 152 Cb 0.53 0.16 0.17 0.00 -2.10 0.00 0.00 70.33 69.08 2ock n THR 152 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2ock h ASP 153 N 0.78 0.64 -0.49 3.42 3.32 -2.00 0.12 116.42 122.21 2ock h ASP 153 Ca -0.32 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 2ock h ASP 153 Cb 1.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2ock h ASP 153 CO 0.51 0.81 0.02 -0.08 -1.72 0.00 0.00 179.24 178.78 2ock h GLU 154 N 0.59 0.91 0.01 3.56 4.81 -1.99 -1.12 114.58 121.35 2ock h GLU 154 Ca 0.10 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2ock h GLU 154 Cb 0.59 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2ock h GLU 154 CO 0.04 0.89 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.77 2ock h ASP 155 N 0.85 -0.01 -0.78 1.04 3.45 -1.86 -1.84 116.42 117.28 2ock h ASP 155 Ca 0.16 -0.43 0.18 0.00 0.43 0.00 0.00 57.03 57.38 2ock h ASP 155 Cb 0.47 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.12 2ock h ASP 155 CO 0.02 0.42 0.15 -1.28 -1.57 0.00 0.00 179.24 176.98 2ock h SER 156 N -0.45 -0.08 -0.11 6.45 0.87 -0.58 0.14 113.55 119.79 2ock h SER 156 Ca -0.00 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2ock h SER 156 Cb 0.44 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2ock h SER 156 CO 0.00 -0.10 0.01 0.24 -0.53 0.00 0.00 176.83 176.45 2ock h MET 157 N 0.21 0.20 -0.42 2.24 2.86 -1.14 -2.48 114.93 116.40 2ock h MET 157 Ca 0.45 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 58.11 2ock h MET 157 Cb 0.81 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.38 2ock h MET 157 CO -0.59 0.43 -0.10 0.82 1.06 0.00 0.00 176.91 178.53 2ock h ILE 158 N -0.06 0.59 -0.01 -1.22 2.04 -0.25 -0.32 117.51 118.28 2ock h ILE 158 Ca 0.03 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 2ock h ILE 158 Cb 0.33 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2ock h ILE 158 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 178.15 180.04 2ock h TYR 159 N 0.01 0.01 -0.11 1.37 0.99 -0.97 -1.02 116.97 117.26 2ock h TYR 159 Ca 0.20 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.80 2ock h TYR 159 Cb 0.30 -0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.02 2ock h TYR 159 CO -0.36 0.01 -0.50 1.49 -0.00 0.00 0.00 178.16 178.80 2ock h GLU 160 N 0.02 0.29 0.00 4.88 4.57 -0.59 -2.23 114.58 121.51 2ock h GLU 160 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2ock h GLU 160 Cb 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2ock h GLU 160 CO -0.00 0.73 0.00 0.41 -1.18 0.00 0.00 179.01 178.97 2ock n GLY 161 N 0.06 -1.29 0.01 1.92 0.00 -0.41 -2.93 105.19 102.55 2ock n GLY 161 Ca -0.02 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2ock n GLY 161 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ock n ILE 162 N -1.62 0.00 -0.39 -0.61 5.41 -0.94 -4.71 119.36 116.50 2ock n ILE 162 Ca 0.05 -0.45 -0.10 0.00 1.00 0.00 0.00 62.75 63.25 2ock n ILE 162 Cb 0.27 0.07 -0.09 0.00 -0.71 0.00 0.00 39.64 39.18 2ock n ILE 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2ock n ARG 163 N -2.19 -0.40 -2.64 0.38 0.63 -0.88 -4.27 116.66 107.28 2ock n ARG 163 Ca -0.03 1.41 -0.43 0.00 -0.92 0.00 0.00 57.85 57.88 2ock n ARG 163 Cb 0.53 -2.08 -0.02 0.00 0.45 0.00 0.00 32.46 31.34 2ock n ARG 163 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2ock s ASP 164 N -5.46 6.77 0.49 6.15 -1.08 -1.26 -4.40 116.67 117.88 2ock s ASP 164 Ca -0.11 0.74 0.14 0.00 -0.52 0.00 0.00 52.55 52.80 2ock s ASP 164 Cb 0.11 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 40.18 2ock s ASP 164 CO 0.58 -1.04 2.11 -0.37 0.52 0.00 0.00 175.17 176.98 2ock h VAL 165 N 5.96 1.04 -0.12 1.11 -1.51 -1.88 -1.52 116.25 119.32 2ock h VAL 165 Ca -0.22 -0.11 0.04 0.00 -1.23 0.00 0.00 66.70 65.18 2ock h VAL 165 Cb 1.06 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2ock h VAL 165 CO 1.07 0.04 0.09 -1.28 -1.23 0.00 0.00 177.57 176.26 2ock h SER 166 N 0.13 0.00 0.09 4.19 0.87 -1.94 0.18 113.55 117.07 2ock h SER 166 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2ock h SER 166 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2ock h SER 166 CO -0.00 0.00 -0.02 1.17 -0.53 0.00 0.00 176.83 177.45 2ock n LYS 167 N -4.41 1.05 -2.35 2.24 0.00 -0.57 -4.85 118.16 109.26 2ock n LYS 167 Ca -0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 58.31 57.75 2ock n LYS 167 Cb 0.21 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.72 2ock n LYS 167 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2ock s TRP 168 N -2.11 3.17 0.17 5.64 0.52 0.63 -4.98 118.94 121.97 2ock s TRP 168 Ca 0.42 1.52 -0.31 0.00 0.02 0.00 0.00 56.10 57.75 2ock s TRP 168 Cb 0.21 -2.94 -0.09 0.00 -1.15 0.00 0.00 33.47 29.51 2ock s TRP 168 CO 0.38 -0.71 1.47 -1.54 0.02 0.00 0.00 176.95 176.57 2ock s SER 169 N -2.63 6.70 0.52 2.95 1.04 -1.26 -4.80 113.70 116.21 2ock s SER 169 Ca 0.63 2.52 0.43 0.00 0.48 0.00 0.00 55.95 60.01 2ock s SER 169 Cb -0.13 -2.60 1.64 0.00 0.10 0.00 0.00 66.02 65.03 2ock s SER 169 CO 0.29 -0.72 1.59 -0.08 0.98 0.00 0.00 173.24 175.29 2ock h GLU 170 N 6.34 0.01 0.01 4.02 4.57 -1.93 0.29 114.58 127.88 2ock h GLU 170 Ca -0.43 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2ock h GLU 170 Cb 1.21 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2ock h GLU 170 CO 0.86 0.01 -0.00 0.07 -1.18 0.00 0.00 179.01 178.76 2ock h ARG 171 N 0.01 -0.01 0.00 1.92 0.11 -2.01 -1.21 114.38 113.20 2ock h ARG 171 Ca 0.90 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.94 2ock h ARG 171 Cb 3.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 34.42 2ock h ARG 171 CO -0.17 0.44 -0.19 1.79 0.10 0.00 0.00 179.97 181.94 2ock h THR 172 N -0.46 0.53 0.08 0.08 1.35 -0.83 -3.19 112.91 110.47 2ock h THR 172 Ca -0.00 -0.95 -0.30 0.00 -0.55 0.00 0.00 66.41 64.61 2ock h THR 172 Cb 0.45 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 2ock h THR 172 CO 0.00 0.19 -1.61 -0.09 -0.25 0.00 0.00 175.52 173.76 2ock h ARG 173 N 0.00 0.17 -0.15 4.72 2.43 -1.25 -3.40 114.38 116.91 2ock h ARG 173 Ca -0.00 -0.28 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2ock h ARG 173 Cb 0.63 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.22 2ock h ARG 173 CO 0.02 0.95 -0.49 -0.22 -1.51 0.00 0.00 179.97 178.73 2ock h LYS 174 N 0.05 -0.52 -0.84 0.20 3.64 -1.20 0.25 116.57 118.16 2ock h LYS 174 Ca -0.26 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2ock h LYS 174 Cb 2.00 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.89 2ock h LYS 174 CO 0.13 -0.34 0.55 -1.00 -2.27 0.00 0.00 179.45 176.51 2ock h PRO 175 N -0.54 1.04 -0.01 1.90 0.13 -1.78 -0.92 132.00 131.82 2ock h PRO 175 Ca 0.06 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2ock h PRO 175 Cb 0.66 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 31.56 2ock h PRO 175 CO -0.43 0.69 -0.96 -0.07 -0.23 0.00 0.00 178.00 177.00 2ock h LEU 176 N 1.07 0.69 -1.06 1.56 3.38 -1.68 -1.39 115.31 117.88 2ock h LEU 176 Ca 0.32 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2ock h LEU 176 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2ock h LEU 176 CO -0.09 1.34 -0.04 -0.08 0.09 0.00 0.00 178.44 179.66 2ock h GLU 177 N 0.31 0.62 -0.45 1.13 4.81 -0.28 -1.27 114.58 119.46 2ock h GLU 177 Ca -0.09 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.83 2ock h GLU 177 Cb 1.60 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 2ock h GLU 177 CO 0.18 0.67 -0.28 0.00 -0.73 0.00 0.00 179.01 178.85 2ock h ALA 178 N 1.38 0.65 0.06 2.92 0.00 -1.10 0.65 119.26 123.82 2ock h ALA 178 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ock h ALA 178 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ock h ALA 178 CO 0.02 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.17 2ock h LEU 179 N 0.82 -0.06 0.00 0.00 5.85 -0.81 -3.38 115.31 117.73 2ock h LEU 179 Ca 0.09 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 2ock h LEU 179 Cb 0.86 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2ock h LEU 179 CO 0.08 0.33 -1.95 -1.22 -0.34 0.00 0.00 178.44 175.34 2ock n TYR 180 N -4.94 0.00 0.00 1.25 4.02 -0.52 -5.06 117.16 111.91 2ock n TYR 180 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2ock n TYR 180 Cb 0.22 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 2ock n TYR 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ock n GLY 181 N 1.59 0.72 0.44 2.72 0.00 0.23 -4.45 105.19 106.43 2ock n GLY 181 Ca -0.11 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 2ock n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ock h TYR 182 N 0.00 -1.59 -0.70 1.61 3.20 -1.89 -2.33 116.97 115.26 2ock h TYR 182 Ca 0.00 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.03 2ock h TYR 182 Cb 0.00 0.73 -0.12 0.00 1.54 0.00 0.00 36.73 38.88 2ock h TYR 182 CO 0.00 -0.50 -0.46 -0.44 -1.64 0.00 0.00 178.16 175.12 2ock h ASP 183 N -0.47 -1.62 -0.63 -2.11 3.45 -1.95 0.29 116.42 113.38 2ock h ASP 183 Ca 0.05 0.27 -0.07 0.00 0.43 0.00 0.00 57.03 57.71 2ock h ASP 183 Cb 0.61 0.74 -0.03 0.00 -0.56 0.00 0.00 39.33 40.10 2ock h ASP 183 CO -0.49 -0.32 0.13 0.22 -1.57 0.00 0.00 179.24 177.21 2ock h TYR 184 N -0.17 1.10 0.46 4.55 3.20 -1.76 -1.06 116.97 123.29 2ock h TYR 184 Ca 0.20 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2ock h TYR 184 Cb 0.55 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2ock h TYR 184 CO -0.79 0.91 -0.25 0.35 -1.64 0.00 0.00 178.16 176.74 2ock h PHE 185 N 0.99 -0.65 -0.57 -3.82 3.57 -0.64 0.59 116.94 116.40 2ock h PHE 185 Ca 0.20 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.77 2ock h PHE 185 Cb 0.39 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 2ock h PHE 185 CO 0.03 -0.38 0.23 0.00 -2.23 0.00 0.00 178.31 175.96 2ock h ALA 186 N -1.60 0.73 -0.27 2.41 0.00 -0.50 -1.48 119.26 118.55 2ock h ALA 186 Ca -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ock h ALA 186 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ock h ALA 186 CO 0.08 -0.16 0.09 0.07 0.00 0.00 0.00 179.25 179.34 2ock h ARG 187 N 0.44 0.41 -0.36 0.00 -0.00 -1.17 -2.17 114.38 111.52 2ock h ARG 187 Ca 0.28 -0.08 -0.05 0.00 -0.00 0.00 0.00 59.98 60.12 2ock h ARG 187 Cb 0.29 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 30.18 2ock h ARG 187 CO -0.26 0.46 0.01 1.15 -0.00 0.00 0.00 179.97 181.34 2ock h THR 188 N 0.27 1.20 -0.72 0.08 2.02 -0.68 -1.57 112.91 113.51 2ock h THR 188 Ca 0.09 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 2ock h THR 188 Cb 0.22 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2ock h THR 188 CO -0.00 0.27 0.34 0.00 0.37 0.00 0.00 175.52 176.50 2ock h GLU 190 N 1.03 0.21 0.00 0.00 5.08 -0.67 -2.11 114.58 118.12 2ock h GLU 190 Ca 0.25 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2ock h GLU 190 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2ock h GLU 190 CO -0.03 0.36 -0.24 0.87 -1.00 0.00 0.00 179.01 178.97 2ock h LYS 191 N 0.03 0.00 -0.04 2.33 1.57 -1.02 -1.54 116.57 117.90 2ock h LYS 191 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2ock h LYS 191 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2ock h LYS 191 CO -0.00 0.24 -0.01 2.35 -0.57 0.00 0.00 179.45 181.46 2ock h TRP 192 N 0.00 0.08 -0.72 -1.35 7.01 -0.77 0.52 115.95 120.73 2ock h TRP 192 Ca -0.00 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.04 2ock h TRP 192 Cb 0.46 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 2ock h TRP 192 CO 0.00 0.44 0.41 0.28 -2.79 0.00 0.00 178.44 176.78 2ock h VAL 193 N -0.30 0.99 -0.08 2.65 2.07 -1.00 0.56 116.25 121.14 2ock h VAL 193 Ca 0.01 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 2ock h VAL 193 Cb 0.41 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2ock h VAL 193 CO 0.00 0.14 -0.34 0.44 0.02 0.00 0.00 177.57 177.83 2ock h ASP 194 N 0.76 0.16 -0.06 0.57 3.45 -1.15 -0.65 116.42 119.51 2ock h ASP 194 Ca 0.32 -0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.55 2ock h ASP 194 Cb 0.18 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.92 2ock h ASP 194 CO -0.18 0.51 -0.62 1.23 -1.57 0.00 0.00 179.24 178.61 2ock h GLY 195 N 1.10 0.58 2.00 2.75 0.00 0.24 -2.87 103.07 106.87 2ock h GLY 195 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 47.33 46.39 2ock h GLY 195 CO 0.05 0.80 -0.28 1.19 0.00 0.00 0.00 176.54 178.30 2ock h ILE 196 N 0.10 0.57 -0.01 2.60 6.09 0.02 -3.15 117.51 123.73 2ock h ILE 196 Ca -0.06 -1.47 -0.12 0.00 -1.37 0.00 0.00 64.86 61.83 2ock h ILE 196 Cb 1.28 2.02 -0.02 0.00 0.47 0.00 0.00 36.82 40.58 2ock h ILE 196 CO 0.12 0.28 -0.57 -0.09 -3.07 0.00 0.00 178.15 174.82 2ock h ARG 197 N 0.00 0.04 0.00 2.19 9.65 -1.10 -3.22 114.38 121.94 2ock h ARG 197 Ca -0.00 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2ock h ARG 197 Cb 1.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2ock h ARG 197 CO 0.04 0.60 -0.00 -0.56 2.80 0.00 0.00 179.97 182.85 2ock h GLN 198 N 0.03 0.00 0.00 0.20 3.07 -1.46 -2.80 115.11 114.15 2ock h GLN 198 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2ock h GLN 198 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.58 2ock h GLN 198 CO 0.08 0.00 -0.03 0.74 0.09 0.00 0.00 178.83 179.71 2ock h PHE 199 N 0.00 0.00 0.00 0.06 -1.00 -1.76 -3.07 116.94 111.17 2ock h PHE 199 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2ock h PHE 199 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 2ock h PHE 199 CO 0.00 0.03 -0.14 -0.22 -1.61 0.00 0.00 178.31 176.37 2ock h LYS 200 N 0.00 0.00 -0.05 1.51 1.63 -1.73 -2.42 116.57 115.51 2ock h LYS 200 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ock h LYS 200 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2ock h LYS 200 CO 0.00 0.14 0.00 0.72 -3.45 0.00 0.00 179.45 176.86 2ock n HIS 201 N -3.89 0.06 -3.23 1.91 -0.00 -1.16 -4.30 115.22 104.61 2ock n HIS 201 Ca -0.02 -0.03 -0.20 0.00 -0.00 0.00 0.00 57.72 57.47 2ock n HIS 201 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 2ock n HIS 201 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ock s LEU 202 N -1.82 3.81 0.29 2.41 1.43 -0.91 -4.99 118.68 118.89 2ock s LEU 202 Ca 0.37 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 2ock s LEU 202 Cb 0.19 -2.88 -0.12 0.00 0.03 0.00 0.00 46.19 43.40 2ock s LEU 202 CO 0.30 -0.58 1.44 -2.65 0.23 0.00 0.00 176.35 175.09 2ock n PRO 203 N -1.84 2.31 -1.46 1.29 -0.02 -1.26 -1.65 135.00 132.37 2ock n PRO 203 Ca 0.01 0.82 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2ock n PRO 203 Cb 0.58 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 2ock n PRO 203 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ock n ASP 204 N 1.67 -5.47 -1.97 2.55 9.92 -1.26 -1.97 116.55 120.03 2ock n ASP 204 Ca 0.08 0.39 -0.14 0.00 -0.53 0.00 0.00 54.79 54.59 2ock n ASP 204 Cb 0.35 -4.36 -0.03 0.00 -0.64 0.00 0.00 41.12 36.43 2ock n ASP 204 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ock n GLY 205 N -0.28 0.34 3.73 0.44 0.00 -0.66 -4.65 105.19 104.10 2ock n GLY 205 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2ock n GLY 205 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ock s ASN 206 N -2.11 6.52 -0.02 1.61 2.47 -0.83 -0.41 114.94 122.16 2ock s ASN 206 Ca 0.00 2.76 -0.04 0.00 0.42 0.00 0.00 52.86 55.99 2ock s ASN 206 Cb 0.00 -2.61 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 2ock s ASN 206 CO 0.00 -0.84 -0.09 -0.38 -3.72 0.00 0.00 177.10 172.07 2ock n ILE 207 N 3.05 0.87 -2.20 -5.21 5.41 -0.40 -4.89 119.36 115.99 2ock n ILE 207 Ca 0.11 0.13 -0.01 0.00 1.00 0.00 0.00 62.75 63.97 2ock n ILE 207 Cb 0.38 -1.70 -0.02 0.00 -0.71 0.00 0.00 39.64 37.60 2ock n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ock h ARG 209 N 0.41 0.63 0.00 0.00 3.08 -1.92 -1.13 114.38 115.45 2ock h ARG 209 Ca -0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2ock h ARG 209 Cb 1.57 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2ock h ARG 209 CO -0.07 0.42 0.00 -2.39 -1.07 0.00 0.00 179.97 176.86 2ock n HIS 210 N -4.50 0.88 0.38 3.04 1.44 -1.26 -3.10 115.22 112.10 2ock n HIS 210 Ca 0.13 0.31 0.11 0.00 -2.01 0.00 0.00 57.72 56.26 2ock n HIS 210 Cb 0.34 -1.00 -0.06 0.00 0.12 0.00 0.00 29.99 29.39 2ock n HIS 210 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ock n LEU 211 N -2.27 0.49 -0.26 2.39 4.77 -0.44 -4.32 117.00 117.37 2ock n LEU 211 Ca 0.03 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2ock n LEU 211 Cb 0.30 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2ock n LEU 211 CO 0.24 0.03 1.13 -0.07 -1.33 0.00 0.00 177.39 177.38 2ock h LEU 212 N 0.00 0.66 -1.13 2.23 3.38 -1.45 -0.35 115.31 118.65 2ock h LEU 212 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ock h LEU 212 Cb 0.82 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2ock h LEU 212 CO 0.00 0.43 0.00 -2.65 0.09 0.00 0.00 178.44 176.31 2ock n PRO 213 N -4.72 0.17 0.00 1.13 -0.02 -1.24 -1.88 135.00 128.45 2ock n PRO 213 Ca 0.09 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2ock n PRO 213 Cb 0.16 -1.94 0.33 0.00 -0.02 0.00 0.00 33.50 32.03 2ock n PRO 213 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ock n ARG 214 N -2.28 1.91 -2.54 -0.52 1.74 -0.15 -4.86 116.66 109.96 2ock n ARG 214 Ca 0.00 -1.36 -0.43 0.00 -0.77 0.00 0.00 57.85 55.29 2ock n ARG 214 Cb 0.13 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 2ock n ARG 214 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ock s VAL 215 N -2.02 4.47 -1.55 1.55 1.01 -0.78 -4.45 120.40 118.62 2ock s VAL 215 Ca 0.33 1.78 0.13 0.00 0.00 0.00 0.00 61.98 64.21 2ock s VAL 215 Cb 0.20 -4.15 0.13 0.00 0.00 0.00 0.00 36.38 32.56 2ock s VAL 215 CO 0.33 -0.15 0.94 0.00 0.00 0.00 0.00 175.10 176.22 2ock n GLN 216 N 6.43 0.98 -4.07 2.72 6.02 -1.26 -4.56 117.38 123.64 2ock n GLN 216 Ca 0.13 -1.35 -0.24 0.00 -0.01 0.00 0.00 57.00 55.53 2ock n GLN 216 Cb 0.45 -1.25 -0.04 0.00 1.02 0.00 0.00 30.24 30.42 2ock n GLN 216 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ock n PRO 218 N -0.79 2.71 -4.53 0.00 -0.02 -1.26 -4.88 135.00 126.23 2ock n PRO 218 Ca -0.08 0.98 -0.22 0.00 -2.02 0.00 0.00 63.50 62.16 2ock n PRO 218 Cb 0.56 -2.80 -0.15 0.00 -0.02 0.00 0.00 33.50 31.08 2ock n PRO 218 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ock s ALA 219 N 0.93 1.05 -0.22 3.55 0.00 -1.26 -2.08 121.76 123.72 2ock s ALA 219 Ca 0.73 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 2ock s ALA 219 Cb -0.52 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2ock s ALA 219 CO 0.36 0.19 -0.11 -1.17 0.00 0.00 0.00 175.76 175.03 2ock s LEU 220 N 0.07 2.85 -0.35 0.00 2.96 -0.32 -0.35 118.68 123.54 2ock s LEU 220 Ca -0.02 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.96 2ock s LEU 220 Cb -0.09 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2ock s LEU 220 CO 0.01 -0.08 0.19 -0.63 -1.32 0.00 0.00 176.35 174.52 2ock s ILE 221 N 1.30 4.67 -0.08 6.68 1.09 0.12 -1.66 121.20 133.32 2ock s ILE 221 Ca 0.01 -0.65 -0.06 0.00 -1.10 0.00 0.00 60.65 58.86 2ock s ILE 221 Cb -0.16 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2ock s ILE 221 CO -0.07 -0.11 0.16 -0.69 -0.10 0.00 0.00 174.94 174.13 2ock s VAL 222 N 1.59 5.47 -0.06 2.92 1.01 -0.50 -0.42 120.40 130.42 2ock s VAL 222 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2ock s VAL 222 Cb -0.18 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2ock s VAL 222 CO 0.07 0.53 0.15 -2.28 0.00 0.00 0.00 175.10 173.56 2ock s HIS 223 N -1.13 -0.17 -0.27 5.22 5.04 -0.11 -3.89 115.29 119.99 2ock s HIS 223 Ca 0.19 0.47 -0.22 0.00 -1.54 0.00 0.00 55.06 53.96 2ock s HIS 223 Cb -0.12 -0.06 -0.01 0.00 0.04 0.00 0.00 32.58 32.43 2ock s HIS 223 CO 0.09 -0.15 0.73 0.20 -2.34 0.00 0.00 174.74 173.26 2ock s GLY 224 N 0.99 1.76 0.66 1.59 0.00 -1.26 -0.75 107.32 110.31 2ock s GLY 224 Ca -0.08 -0.39 0.41 0.00 0.00 0.00 0.00 44.72 44.67 2ock s GLY 224 CO -0.05 1.63 2.26 0.83 0.00 0.00 0.00 173.10 177.76 2ock h GLU 225 N 7.95 0.00 -0.67 2.90 5.08 -1.27 0.97 114.58 129.52 2ock h GLU 225 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2ock h GLU 225 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2ock h GLU 225 CO 0.83 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.47 2ock n LYS 226 N -3.01 3.07 -1.64 2.33 5.02 -0.39 -4.95 118.16 118.59 2ock n LYS 226 Ca -0.03 -2.70 -0.45 0.00 -2.02 0.00 0.00 58.31 53.12 2ock n LYS 226 Cb 0.13 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.45 2ock n LYS 226 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ock n ASP 227 N 1.37 3.61 0.05 4.39 -0.08 0.33 -4.68 116.55 121.55 2ock n ASP 227 Ca 0.24 0.71 0.12 0.00 -1.51 0.00 0.00 54.79 54.35 2ock n ASP 227 Cb 0.70 -1.48 0.26 0.00 2.34 0.00 0.00 41.12 42.95 2ock n ASP 227 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2ock n PRO 228 N 7.68 0.21 -0.08 -0.67 -0.04 -1.26 -4.24 135.00 136.60 2ock n PRO 228 Ca 0.25 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 2ock n PRO 228 Cb 0.38 -1.66 -0.16 0.00 -0.04 0.00 0.00 33.50 32.02 2ock n PRO 228 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ock n LEU 229 N -1.98 0.18 -3.89 1.53 4.77 -1.26 -4.86 117.00 111.49 2ock n LEU 229 Ca 0.04 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 2ock n LEU 229 Cb 0.41 0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 41.77 2ock n LEU 229 CO 0.34 0.47 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.79 2ock s VAL 230 N -2.52 1.38 0.50 4.08 1.01 -1.26 -4.94 120.40 118.64 2ock s VAL 230 Ca -0.09 -1.28 -0.23 0.00 0.00 0.00 0.00 61.98 60.39 2ock s VAL 230 Cb 0.06 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 2ock s VAL 230 CO 0.83 -0.25 1.18 -2.65 0.00 0.00 0.00 175.10 174.20 2ock n PRO 231 N 4.70 1.53 0.22 2.72 -0.02 -1.26 -4.79 135.00 138.10 2ock n PRO 231 Ca -0.08 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 2ock n PRO 231 Cb 0.44 -2.33 0.84 0.00 -0.02 0.00 0.00 33.50 32.43 2ock n PRO 231 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2ock h ARG 232 N 1.45 0.00 -0.07 -0.52 0.11 -1.92 -2.25 114.38 111.18 2ock h ARG 232 Ca -0.48 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.62 2ock h ARG 232 Cb 1.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.40 2ock h ARG 232 CO 0.56 0.00 0.08 0.27 0.10 0.00 0.00 179.97 180.99 2ock h PHE 233 N 0.00 0.00 -0.20 4.08 -5.15 -1.99 -0.89 116.94 112.79 2ock h PHE 233 Ca 0.08 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.69 2ock h PHE 233 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.60 2ock h PHE 233 CO 0.00 0.00 -0.53 0.45 -2.00 0.00 0.00 178.31 176.23 2ock h HIS 234 N 0.00 0.73 -0.21 6.09 3.86 -1.73 -0.11 115.15 123.77 2ock h HIS 234 Ca 0.03 -0.25 -0.18 0.00 -1.16 0.00 0.00 60.37 58.81 2ock h HIS 234 Cb 0.20 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 2ock h HIS 234 CO 0.00 0.99 -0.59 0.00 0.86 0.00 0.00 177.93 179.19 2ock h ALA 235 N 0.96 0.55 -0.43 2.45 0.00 -1.35 -2.25 119.26 119.19 2ock h ALA 235 Ca 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2ock h ALA 235 Cb 1.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2ock h ALA 235 CO 0.10 0.69 -0.16 -0.44 0.00 0.00 0.00 179.25 179.44 2ock h ASP 236 N 0.53 0.81 -0.26 0.00 3.32 -1.19 -0.95 116.42 118.68 2ock h ASP 236 Ca -0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2ock h ASP 236 Cb 1.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2ock h ASP 236 CO 0.12 0.97 -0.02 0.15 -1.72 0.00 0.00 179.24 178.75 2ock h PHE 237 N 0.72 0.51 -0.65 4.55 3.57 -0.96 -0.76 116.94 123.92 2ock h PHE 237 Ca 0.11 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2ock h PHE 237 Cb 0.67 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2ock h PHE 237 CO 0.04 0.64 0.13 0.82 -2.23 0.00 0.00 178.31 177.71 2ock h ILE 238 N 0.24 1.26 -0.49 1.41 2.04 -1.32 -2.21 117.51 118.43 2ock h ILE 238 Ca 0.07 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2ock h ILE 238 Cb 0.45 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2ock h ILE 238 CO 0.02 0.37 0.26 -0.74 0.00 0.00 0.00 178.15 178.05 2ock h HIS 239 N 1.00 0.69 -0.89 1.37 2.76 -1.06 -0.94 115.15 118.07 2ock h HIS 239 Ca 0.20 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2ock h HIS 239 Cb 0.39 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.08 2ock h HIS 239 CO 0.03 0.53 0.56 -0.22 -1.30 0.00 0.00 177.93 177.53 2ock h LYS 240 N 0.65 1.02 -0.00 5.26 3.64 -0.75 -3.20 116.57 123.19 2ock h LYS 240 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2ock h LYS 240 Cb 0.08 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2ock h LYS 240 CO -0.03 0.67 -0.91 0.72 -2.27 0.00 0.00 179.45 177.64 2ock n HIS 241 N -4.57 0.00 -3.17 1.91 8.25 -0.87 -4.75 115.22 112.03 2ock n HIS 241 Ca 0.13 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.14 2ock n HIS 241 Cb 0.15 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 2ock n HIS 241 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ock s VAL 242 N -2.99 4.89 0.23 1.59 1.01 -0.37 -3.65 120.40 121.10 2ock s VAL 242 Ca 0.09 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2ock s VAL 242 Cb 0.16 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 2ock s VAL 242 CO 0.84 -0.88 1.33 0.29 0.00 0.00 0.00 175.10 176.67 2ock n LYS 243 N 6.12 1.80 -0.94 2.72 5.02 -1.26 -1.80 118.16 129.82 2ock n LYS 243 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2ock n LYS 243 Cb 0.44 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 2ock n LYS 243 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ock n GLY 244 N 2.06 0.27 3.80 0.72 0.00 -1.26 -4.84 105.19 105.94 2ock n GLY 244 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2ock n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ock s SER 245 N -2.10 5.27 0.02 1.61 1.04 -0.74 -4.54 113.70 114.25 2ock s SER 245 Ca 0.00 1.76 0.09 0.00 0.48 0.00 0.00 55.95 58.27 2ock s SER 245 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 2ock s SER 245 CO 0.00 -1.52 -0.26 -0.13 0.98 0.00 0.00 173.24 172.32 2ock s ARG 246 N -4.65 1.95 -0.17 4.02 0.52 0.53 -4.98 118.95 116.16 2ock s ARG 246 Ca 0.61 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2ock s ARG 246 Cb -0.16 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.30 2ock s ARG 246 CO 0.49 0.53 -0.18 -1.17 0.02 0.00 0.00 175.30 175.00 2ock s LEU 247 N -1.01 2.29 -0.20 2.53 2.96 -1.26 0.11 118.68 124.11 2ock s LEU 247 Ca 0.11 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2ock s LEU 247 Cb -0.10 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.08 2ock s LEU 247 CO 0.01 0.04 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.65 2ock s HIS 248 N 1.09 2.85 -0.14 5.38 5.65 0.44 -4.97 115.29 125.60 2ock s HIS 248 Ca -0.00 -1.43 -0.09 0.00 0.25 0.00 0.00 55.06 53.78 2ock s HIS 248 Cb -0.14 -1.98 -0.05 0.00 -1.18 0.00 0.00 32.58 29.23 2ock s HIS 248 CO -0.06 -0.73 0.18 -0.51 -0.65 0.00 0.00 174.74 172.97 2ock s LEU 249 N 1.35 4.33 -0.32 8.88 1.43 -1.26 -0.93 118.68 132.15 2ock s LEU 249 Ca 0.05 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2ock s LEU 249 Cb -0.14 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2ock s LEU 249 CO -0.10 0.30 0.05 -0.04 0.23 0.00 0.00 176.35 176.79 2ock s MET 250 N -0.44 2.42 0.27 1.70 -1.94 0.07 -4.95 119.30 116.43 2ock s MET 250 Ca 0.14 -1.31 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 2ock s MET 250 Cb -0.12 -3.29 0.58 0.00 2.01 0.00 0.00 34.83 34.01 2ock s MET 250 CO 0.03 -0.68 1.64 -1.35 -0.01 0.00 0.00 175.02 174.64 2ock h PRO 251 N 8.05 0.14 -0.02 2.03 0.11 -1.96 -1.51 132.00 138.85 2ock h PRO 251 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2ock h PRO 251 Cb 1.06 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2ock h PRO 251 CO 0.57 0.09 -0.24 0.39 -0.21 0.00 0.00 178.00 178.60 2ock n GLU 252 N -5.30 1.45 -2.27 1.05 -0.58 -1.26 -4.16 120.64 109.57 2ock n GLU 252 Ca 0.18 -1.09 -0.37 0.00 -0.42 0.00 0.00 57.16 55.46 2ock n GLU 252 Cb 0.59 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.97 2ock n GLU 252 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2ock s GLY 253 N -2.30 2.75 0.00 0.62 0.00 -0.74 -4.79 107.32 102.85 2ock s GLY 253 Ca 0.25 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.87 2ock s GLY 253 CO 0.46 1.34 0.00 0.28 0.00 0.00 0.00 173.10 175.18 2ock n LYS 254 N -0.64 3.90 -0.16 2.90 5.02 -1.26 -1.27 118.16 126.66 2ock n LYS 254 Ca 0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 2ock n LYS 254 Cb 0.49 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.60 2ock n LYS 254 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ock h HIS 255 N 0.00 0.99 -0.85 2.13 2.76 -1.89 -3.13 115.15 115.17 2ock h HIS 255 Ca 0.00 -0.15 -0.52 0.00 -2.20 0.00 0.00 60.37 57.50 2ock h HIS 255 Cb 0.00 -0.27 -0.21 0.00 1.55 0.00 0.00 27.41 28.48 2ock h HIS 255 CO 0.00 0.89 0.65 0.27 -1.30 0.00 0.00 177.93 178.44 2ock n ASN 256 N -4.20 7.07 0.23 3.26 6.94 -1.26 -4.73 115.26 122.58 2ock n ASN 256 Ca 0.03 -3.43 0.13 0.00 -0.02 0.00 0.00 54.58 51.29 2ock n ASN 256 Cb 0.32 -1.04 0.76 0.00 -2.36 0.00 0.00 39.78 37.46 2ock n ASN 256 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 2ock h LEU 257 N 2.46 0.00 0.00 -4.53 8.10 -1.93 -0.50 115.31 118.91 2ock h LEU 257 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.44 2ock h LEU 257 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 2ock h LEU 257 CO 1.17 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 175.50 2ock n HIS 258 N -4.17 0.00 -0.10 0.17 1.44 -1.26 0.16 115.22 111.44 2ock n HIS 258 Ca -0.01 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.51 2ock n HIS 258 Cb 0.19 -0.48 -0.08 0.00 0.12 0.00 0.00 29.99 29.74 2ock n HIS 258 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ock n LEU 259 N -1.48 2.16 -0.01 2.39 4.77 -0.33 -3.46 117.00 121.03 2ock n LEU 259 Ca 0.06 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2ock n LEU 259 Cb 0.26 -0.66 0.11 0.00 -2.33 0.00 0.00 43.42 40.80 2ock n LEU 259 CO 0.21 0.62 0.62 -0.09 -1.33 0.00 0.00 177.39 177.42 2ock h ARG 260 N -0.44 0.58 -1.82 3.23 9.65 -1.18 -3.29 114.38 121.11 2ock h ARG 260 Ca -0.51 -0.28 -0.53 0.00 -1.10 0.00 0.00 59.98 57.56 2ock h ARG 260 Cb 1.57 -0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.74 2ock h ARG 260 CO -0.22 0.86 -0.86 1.19 2.80 0.00 0.00 179.97 183.74 2ock n PHE 261 N -4.05 2.67 -0.02 2.20 3.01 0.12 -4.94 117.46 116.46 2ock n PHE 261 Ca -0.01 -3.53 -0.09 0.00 1.01 0.00 0.00 57.45 54.83 2ock n PHE 261 Cb 0.50 -0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 2ock n PHE 261 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ock h ALA 262 N 2.87 -0.00 -0.58 4.37 0.00 -1.63 0.13 119.26 124.42 2ock h ALA 262 Ca 0.14 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2ock h ALA 262 Cb 0.82 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2ock h ALA 262 CO 0.72 -0.57 0.38 -0.44 0.00 0.00 0.00 179.25 179.34 2ock h ASP 263 N -0.14 0.65 -0.44 0.00 3.45 -1.92 0.22 116.42 118.24 2ock h ASP 263 Ca 0.10 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.50 2ock h ASP 263 Cb 0.29 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2ock h ASP 263 CO -0.25 0.47 0.10 -0.08 -1.57 0.00 0.00 179.24 177.91 2ock h GLU 264 N 0.77 0.71 -0.26 3.56 4.81 -1.86 -2.23 114.58 120.09 2ock h GLU 264 Ca 0.22 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2ock h GLU 264 Cb -0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2ock h GLU 264 CO -0.05 0.72 -0.19 0.35 -0.73 0.00 0.00 179.01 179.11 2ock h PHE 265 N 0.58 0.69 -0.96 0.92 3.57 -0.53 -2.61 116.94 118.60 2ock h PHE 265 Ca 0.14 -0.19 0.07 0.00 3.53 0.00 0.00 57.97 61.52 2ock h PHE 265 Cb 0.34 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 2ock h PHE 265 CO 0.02 0.87 0.61 -0.91 -2.23 0.00 0.00 178.31 176.67 2ock h ASN 266 N 0.31 0.96 -0.45 0.41 4.21 -0.49 -0.10 115.58 120.42 2ock h ASN 266 Ca 0.05 0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.46 2ock h ASN 266 Cb 0.72 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 2ock h ASN 266 CO 0.05 0.59 -0.20 0.50 -1.29 0.00 0.00 177.43 177.09 2ock h LYS 267 N 1.08 0.94 -0.29 0.81 3.64 -1.38 -0.31 116.57 121.06 2ock h LYS 267 Ca 0.42 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2ock h LYS 267 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2ock h LYS 267 CO -0.19 1.06 0.15 1.25 -2.27 0.00 0.00 179.45 179.45 2ock h LEU 268 N 0.78 0.23 -0.25 5.20 5.85 -0.92 0.75 115.31 126.95 2ock h LEU 268 Ca 0.10 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2ock h LEU 268 Cb 0.77 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2ock h LEU 268 CO 0.06 0.17 -0.22 0.00 -0.34 0.00 0.00 178.44 178.11 2ock h ALA 269 N 1.14 0.36 -0.50 1.25 0.00 -0.95 -2.39 119.26 118.17 2ock h ALA 269 Ca 0.12 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2ock h ALA 269 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ock h ALA 269 CO -0.07 0.32 -0.00 0.93 0.00 0.00 0.00 179.25 180.42 2ock h GLU 270 N 0.30 0.83 -0.38 0.00 5.08 -0.93 0.25 114.58 119.74 2ock h GLU 270 Ca 0.04 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2ock h GLU 270 Cb 0.77 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2ock h GLU 270 CO 0.06 0.84 0.01 -0.44 -1.00 0.00 0.00 179.01 178.47 2ock h ASP 271 N 0.78 0.66 -0.59 1.42 3.32 -0.83 -3.02 116.42 118.15 2ock h ASP 271 Ca 0.15 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 2ock h ASP 271 Cb 0.47 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2ock h ASP 271 CO 0.02 0.80 0.06 0.15 -1.72 0.00 0.00 179.24 178.55 2ock h PHE 272 N 0.50 1.11 0.00 4.55 3.57 -1.10 -3.16 116.94 122.40 2ock h PHE 272 Ca 0.11 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2ock h PHE 272 Cb 0.46 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2ock h PHE 272 CO 0.04 0.95 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.79 2ock h LEU 273 N 0.96 0.00 -0.55 0.59 3.38 -0.92 -3.50 115.31 115.26 2ock h LEU 273 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2ock h LEU 273 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ock h LEU 273 CO 0.02 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.76