#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hap s VAL 17 N 0.00 4.08 -1.11 1.39 1.01 0.46 -4.48 120.40 121.74 1hap s VAL 17 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1hap s VAL 17 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1hap s VAL 17 CO 0.00 0.45 0.95 -0.62 0.00 0.00 0.00 175.10 175.88 1hap n GLU 18 N 3.91 -6.30 0.00 2.72 -0.58 -1.26 -0.15 120.64 118.97 1hap n GLU 18 Ca -0.17 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1hap n GLU 18 Cb 0.52 -5.50 0.00 0.00 -0.57 0.00 0.00 31.44 25.89 1hap n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hap n GLY 19 N -1.36 6.07 2.55 0.62 0.00 -1.26 -4.37 105.19 107.43 1hap n GLY 19 Ca -0.17 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 1hap n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hap n SER 20 N 0.00 -0.64 -4.77 1.61 3.41 -0.46 -4.95 113.62 107.82 1hap n SER 20 Ca 0.00 -2.69 -0.37 0.00 -0.26 0.00 0.00 58.87 55.55 1hap n SER 20 Cb 0.00 1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 65.37 1hap n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hap s ASP 21 N -2.82 6.03 0.32 4.04 1.11 -1.26 -0.57 116.67 123.52 1hap s ASP 21 Ca 0.30 2.28 -0.18 0.00 0.18 0.00 0.00 52.55 55.13 1hap s ASP 21 Cb 0.01 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 41.31 1hap s ASP 21 CO 0.21 -1.01 0.80 0.00 1.18 0.00 0.00 175.17 176.35 1hap s ALA 22 N -1.60 3.28 0.33 5.23 0.00 0.44 -4.66 121.76 124.78 1hap s ALA 22 Ca 0.66 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 1hap s ALA 22 Cb -0.28 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1hap s ALA 22 CO 0.33 0.28 0.54 -1.21 0.00 0.00 0.00 175.76 175.70 1hap s GLU 23 N -2.70 3.51 0.62 0.00 2.02 -1.26 -4.94 118.70 115.94 1hap s GLU 23 Ca 0.53 -0.27 -0.19 0.00 0.02 0.00 0.00 54.97 55.06 1hap s GLU 23 Cb -0.12 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1hap s GLU 23 CO 0.18 0.16 1.16 -0.89 0.02 0.00 0.00 175.26 175.90 1hap n ILE 24 N -1.60 4.31 -2.48 -1.63 2.08 -1.26 -2.02 119.36 116.76 1hap n ILE 24 Ca -0.04 -0.50 -0.17 0.00 0.56 0.00 0.00 62.75 62.60 1hap n ILE 24 Cb 0.56 -1.37 -0.01 0.00 -0.75 0.00 0.00 39.64 38.07 1hap n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hap n GLY 25 N 1.06 -0.50 0.11 7.39 0.00 -1.26 -4.89 105.19 107.10 1hap n GLY 25 Ca 0.14 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1hap n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hap h MET 26 N -0.10 0.00 -1.02 1.61 4.05 -1.81 -3.40 114.93 114.26 1hap h MET 26 Ca -0.40 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 58.82 1hap h MET 26 Cb 1.30 0.00 -0.18 0.00 -0.80 0.00 0.00 31.60 31.92 1hap h MET 26 CO 0.48 0.00 -0.53 0.43 0.23 0.00 0.00 176.91 177.51 1hap n SER 27 N -2.32 -3.15 0.32 1.39 7.64 -1.26 -4.97 113.62 111.27 1hap n SER 27 Ca 0.05 -2.91 0.20 0.00 1.01 0.00 0.00 58.87 57.22 1hap n SER 27 Cb 0.44 1.57 1.10 0.00 -1.01 0.00 0.00 64.21 66.31 1hap n SER 27 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1hap h PRO 28 N 4.95 0.00 0.02 1.43 0.13 -1.77 -3.15 132.00 133.60 1hap h PRO 28 Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1hap h PRO 28 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1hap h PRO 28 CO 0.07 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 177.94 1hap h TRP 29 N 0.00 -0.02 -1.14 1.56 0.09 -1.34 -1.33 115.95 113.77 1hap h TRP 29 Ca 0.01 -0.00 -0.78 0.00 0.09 0.00 0.00 58.89 58.21 1hap h TRP 29 Cb 0.08 0.01 0.04 0.00 0.08 0.00 0.00 29.16 29.37 1hap h TRP 29 CO 0.00 0.75 0.24 0.94 0.09 0.00 0.00 178.44 180.46 1hap n GLN 30 N -4.71 0.25 -4.41 0.12 -0.06 -1.19 -1.07 117.38 106.32 1hap n GLN 30 Ca -0.09 0.09 -0.20 0.00 -2.00 0.00 0.00 57.00 54.80 1hap n GLN 30 Cb 0.38 -1.62 -0.14 0.00 -4.06 0.00 0.00 30.24 24.80 1hap n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1hap s VAL 31 N 0.57 1.04 -0.19 1.69 1.01 0.75 -4.17 120.40 121.11 1hap s VAL 31 Ca 0.92 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1hap s VAL 31 Cb -1.23 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1hap s VAL 31 CO 0.58 0.08 -0.11 -0.32 0.00 0.00 0.00 175.10 175.34 1hap s MET 32 N -0.86 3.26 -0.21 2.72 1.75 -0.68 0.16 119.30 125.45 1hap s MET 32 Ca 0.02 -0.70 -0.08 0.00 -1.25 0.00 0.00 55.69 53.68 1hap s MET 32 Cb -0.07 -2.81 -0.04 0.00 2.84 0.00 0.00 34.83 34.75 1hap s MET 32 CO 0.01 -0.13 0.09 -1.17 -0.65 0.00 0.00 175.02 173.16 1hap s LEU 33 N 1.23 3.83 -0.24 4.11 1.98 -0.43 0.86 118.68 130.01 1hap s LEU 33 Ca 0.02 0.04 -0.26 0.00 -2.89 0.00 0.00 54.13 51.05 1hap s LEU 33 Cb -0.14 -1.99 0.10 0.00 0.66 0.00 0.00 46.19 44.81 1hap s LEU 33 CO -0.05 0.12 0.87 0.72 -1.89 0.00 0.00 176.35 176.12 1hap s PHE 34 N 0.71 -0.61 0.46 5.38 -0.71 -0.12 -2.40 117.98 120.69 1hap s PHE 34 Ca 0.04 1.43 -0.22 0.00 -1.04 0.00 0.00 56.93 57.14 1hap s PHE 34 Cb -0.13 0.34 -0.10 0.00 -1.21 0.00 0.00 43.02 41.92 1hap s PHE 34 CO 0.02 -0.34 0.87 -2.13 -1.34 0.00 0.00 175.22 172.30 1hap n ARG 35 N 2.15 1.05 0.00 1.99 0.63 0.79 -1.87 116.66 121.40 1hap n ARG 35 Ca -0.14 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1hap n ARG 35 Cb 0.56 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1hap n ARG 35 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1hap n LYS 36 N 0.05 0.00 -3.96 -0.14 5.02 -0.68 -2.45 118.16 115.99 1hap n LYS 36 Ca 0.11 0.46 -0.26 0.00 -2.02 0.00 0.00 58.31 56.60 1hap n LYS 36 Cb 0.41 -1.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.25 1hap n LYS 36 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hap s SER 36 N -2.78 2.11 0.40 4.39 0.15 -1.26 -0.23 113.70 116.47 1hap s SER 36 Ca 0.00 -0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.10 1hap s SER 36 Cb 0.00 -0.82 -0.09 0.00 -1.71 0.00 0.00 66.02 63.40 1hap s SER 36 CO 0.00 -0.11 1.21 -2.16 1.20 0.00 0.00 173.24 173.38 1hap s PRO 37 N 1.62 4.05 -0.77 5.44 0.04 -1.26 -5.05 135.00 139.06 1hap s PRO 37 Ca 0.03 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1hap s PRO 37 Cb -0.13 -2.72 -0.12 0.00 0.04 0.00 0.00 34.50 31.57 1hap s PRO 37 CO -0.07 -0.35 2.36 -1.14 0.04 0.00 0.00 177.00 177.84 1hap s GLN 38 N -2.25 1.74 0.19 4.56 0.74 0.68 -4.66 119.66 120.66 1hap s GLN 38 Ca 0.57 0.51 -0.07 0.00 0.05 0.00 0.00 55.36 56.42 1hap s GLN 38 Cb -0.33 -4.79 -0.02 0.00 1.10 0.00 0.00 33.01 28.98 1hap s GLN 38 CO 0.42 -4.23 0.26 -1.83 -0.55 0.00 0.00 175.29 169.37 1hap s GLU 39 N 8.64 1.25 0.13 1.67 -1.05 -1.03 -4.98 118.70 123.34 1hap s GLU 39 Ca 0.91 -1.36 -0.22 0.00 -0.15 0.00 0.00 54.97 54.15 1hap s GLU 39 Cb -0.13 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.84 1hap s GLU 39 CO 0.09 -0.45 0.67 -1.17 0.95 0.00 0.00 175.26 175.35 1hap s LEU 40 N -3.05 4.52 0.00 1.83 2.96 -1.26 0.28 118.68 123.96 1hap s LEU 40 Ca 0.26 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 1hap s LEU 40 Cb 0.04 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1hap s LEU 40 CO 0.06 0.21 0.00 0.00 -1.32 0.00 0.00 176.35 175.30 1hap n LEU 41 N 1.49 2.27 0.00 -0.68 -0.00 -1.17 -4.78 117.00 114.13 1hap n LEU 41 Ca -0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.85 1hap n LEU 41 Cb 0.50 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.95 1hap n LEU 41 CO 0.43 0.38 0.53 0.00 -0.00 0.00 0.00 177.39 178.73 1hap s GLY 43 N -3.08 1.37 0.03 0.00 0.00 -0.51 -1.31 107.32 103.81 1hap s GLY 43 Ca 0.16 -1.30 -0.13 0.00 0.00 0.00 0.00 44.72 43.45 1hap s GLY 43 CO 0.12 -1.33 0.29 0.00 0.00 0.00 0.00 173.10 172.18 1hap s ALA 44 N -2.02 -0.67 -0.10 3.20 0.00 0.43 -4.04 121.76 118.57 1hap s ALA 44 Ca 0.33 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1hap s ALA 44 Cb -0.09 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 1hap s ALA 44 CO 0.27 -0.37 -0.22 -1.54 0.00 0.00 0.00 175.76 173.90 1hap s SER 45 N -1.88 3.27 -0.46 0.00 1.04 -0.20 0.27 113.70 115.73 1hap s SER 45 Ca -0.07 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 1hap s SER 45 Cb -0.02 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.68 1hap s SER 45 CO -0.02 0.17 1.55 -0.22 0.98 0.00 0.00 173.24 175.70 1hap s LEU 46 N 0.31 3.48 0.00 2.42 0.20 -0.23 -0.43 118.68 124.44 1hap s LEU 46 Ca -0.17 0.72 0.23 0.00 0.69 0.00 0.00 54.13 55.60 1hap s LEU 46 Cb -0.17 -3.27 0.29 0.00 -0.43 0.00 0.00 46.19 42.60 1hap s LEU 46 CO 0.08 -1.69 1.30 2.30 -0.29 0.00 0.00 176.35 178.06 1hap n ILE 47 N 7.11 0.23 0.00 6.68 -5.35 -0.97 -2.97 119.36 124.09 1hap n ILE 47 Ca 0.17 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1hap n ILE 47 Cb 0.49 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 1hap n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1hap n SER 48 N 1.37 0.00 0.17 7.28 3.41 -1.17 -4.66 113.62 120.02 1hap n SER 48 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1hap n SER 48 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1hap n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1hap n ASP 49 N 0.00 0.00 0.00 4.04 5.75 -1.26 -2.33 116.55 122.74 1hap n ASP 49 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1hap n ASP 49 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1hap n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1hap n ARG 50 N -1.76 0.56 -3.23 0.11 1.74 -1.26 0.47 116.66 113.30 1hap n ARG 50 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1hap n ARG 50 Cb 0.75 -0.63 -0.06 0.00 -1.02 0.00 0.00 32.46 31.50 1hap n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1hap s TRP 51 N -1.26 3.77 -0.06 -1.55 0.52 -0.99 -0.51 118.94 118.86 1hap s TRP 51 Ca 0.00 1.27 0.03 0.00 0.02 0.00 0.00 56.10 57.42 1hap s TRP 51 Cb 0.00 -2.56 0.01 0.00 -1.15 0.00 0.00 33.47 29.77 1hap s TRP 51 CO 0.00 0.49 -0.13 0.08 0.02 0.00 0.00 176.95 177.41 1hap s VAL 52 N -0.75 1.17 -0.27 4.03 1.01 -0.72 -2.29 120.40 122.57 1hap s VAL 52 Ca 0.30 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1hap s VAL 52 Cb -0.19 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1hap s VAL 52 CO 0.19 0.36 0.38 -0.22 0.00 0.00 0.00 175.10 175.80 1hap s LEU 53 N 0.51 4.04 0.23 3.92 2.96 0.43 -1.09 118.68 129.69 1hap s LEU 53 Ca -0.12 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1hap s LEU 53 Cb -0.14 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1hap s LEU 53 CO 0.03 -0.18 0.12 0.28 -1.32 0.00 0.00 176.35 175.28 1hap s THR 54 N 2.03 0.24 0.22 3.68 -1.32 -0.28 -1.03 115.64 119.18 1hap s THR 54 Ca 0.15 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.41 1hap s THR 54 Cb -0.16 -2.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.19 1hap s THR 54 CO 0.10 0.00 0.76 0.00 -2.21 0.00 0.00 174.62 173.27 1hap s ALA 55 N -3.96 3.40 0.06 11.08 0.00 -1.26 -1.27 121.76 129.80 1hap s ALA 55 Ca 0.38 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 1hap s ALA 55 Cb 0.07 -2.90 -0.29 0.00 0.00 0.00 0.00 23.12 20.00 1hap s ALA 55 CO 0.13 0.30 1.10 0.00 0.00 0.00 0.00 175.76 177.29 1hap h ALA 56 N 3.61 -0.01 0.00 0.00 0.00 -1.78 -3.30 119.26 117.78 1hap h ALA 56 Ca -0.48 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1hap h ALA 56 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1hap h ALA 56 CO 0.65 0.74 0.05 -2.39 0.00 0.00 0.00 179.25 178.30 1hap n HIS 57 N -3.73 0.00 0.03 0.00 1.44 -1.26 0.11 115.22 111.81 1hap n HIS 57 Ca -0.13 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.47 1hap n HIS 57 Cb 1.01 -0.14 -0.13 0.00 0.12 0.00 0.00 29.99 30.85 1hap n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hap n LEU 59 N -3.27 0.00 -3.45 0.00 4.32 0.31 -4.80 117.00 110.11 1hap n LEU 59 Ca -0.12 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.69 1hap n LEU 59 Cb 1.01 0.48 -0.11 0.00 -1.62 0.00 0.00 43.42 43.18 1hap n LEU 59 CO 0.47 0.48 -0.20 -0.22 -1.22 0.00 0.00 177.39 176.70 1hap s LEU 60 N -5.43 -0.13 0.33 2.23 2.96 0.26 -1.58 118.68 117.32 1hap s LEU 60 Ca -0.10 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1hap s LEU 60 Cb 0.06 0.41 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 1hap s LEU 60 CO 0.81 -0.36 0.16 -0.47 -1.32 0.00 0.00 176.35 175.16 1hap s TYR 60 N 2.33 1.66 0.00 5.38 5.04 0.46 -3.98 117.35 128.25 1hap s TYR 60 Ca 0.08 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1hap s TYR 60 Cb -0.15 -0.93 0.00 0.00 0.35 0.00 0.00 41.96 41.23 1hap s TYR 60 CO -0.23 -0.47 0.00 -0.35 -1.34 0.00 0.00 175.55 173.16 1hap n PRO 60 N -0.65 -0.65 0.00 4.97 -0.05 -1.26 -1.66 135.00 135.70 1hap n PRO 60 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1hap n PRO 60 Cb 0.65 -1.02 0.00 0.00 -0.05 0.00 0.00 33.50 33.08 1hap n PRO 60 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 175.50 176.36 1hap n TRP 60 N 0.20 0.00 -0.69 0.54 8.01 -1.26 -5.01 117.44 119.23 1hap n TRP 60 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1hap n TRP 60 Cb 0.00 0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 1hap n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1hap n ASP 60 N 0.00 -2.08 -4.61 -0.99 8.00 -0.83 -4.99 116.55 111.04 1hap n ASP 60 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1hap n ASP 60 Cb 0.26 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1hap n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1hap s LYS 60 N -1.16 3.48 -0.49 -1.24 2.20 -0.66 -4.80 119.74 117.07 1hap s LYS 60 Ca 0.00 1.51 0.06 0.00 -0.36 0.00 0.00 55.97 57.18 1hap s LYS 60 Cb 0.00 -4.15 0.21 0.00 -1.51 0.00 0.00 37.83 32.38 1hap s LYS 60 CO 0.00 -1.68 0.76 -1.71 -0.36 0.00 0.00 175.35 172.36 1hap n ASN 60 N 9.70 -2.78 -4.89 1.43 5.15 -1.15 -0.40 115.26 122.32 1hap n ASN 60 Ca 0.22 -3.03 -0.29 0.00 -0.60 0.00 0.00 54.58 50.87 1hap n ASN 60 Cb 0.46 1.47 -0.00 0.00 -0.53 0.00 0.00 39.78 41.18 1hap n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1hap s PHE 60 N 0.60 3.57 0.02 1.20 0.08 -0.62 -5.03 117.98 117.81 1hap s PHE 60 Ca 0.31 1.00 0.02 0.00 0.12 0.00 0.00 56.93 58.39 1hap s PHE 60 Cb 0.11 -2.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1hap s PHE 60 CO -0.15 -0.39 -0.07 0.95 -0.10 0.00 0.00 175.22 175.46 1hap s THR 60 N -2.84 0.53 0.24 0.64 -4.23 -1.26 -4.92 115.64 103.81 1hap s THR 60 Ca 0.50 -0.75 0.21 0.00 -1.18 0.00 0.00 61.69 60.47 1hap s THR 60 Cb -0.10 -0.54 0.31 0.00 1.34 0.00 0.00 72.50 73.51 1hap s THR 60 CO 0.46 -0.17 0.74 -1.84 -0.54 0.00 0.00 174.62 173.27 1hap n GLU 61 N 2.06 -0.01 0.03 3.99 0.28 -1.26 0.12 120.64 125.86 1hap n GLU 61 Ca -0.19 0.54 -0.13 0.00 -0.16 0.00 0.00 57.16 57.23 1hap n GLU 61 Cb 0.56 -1.18 -0.09 0.00 1.43 0.00 0.00 31.44 32.16 1hap n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1hap h ASN 62 N 0.00 -0.11 0.65 -1.84 2.35 -1.94 -3.34 115.58 111.35 1hap h ASN 62 Ca 0.43 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1hap h ASN 62 Cb 1.63 0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1hap h ASN 62 CO -0.08 0.38 -0.06 0.47 -1.65 0.00 0.00 177.43 176.49 1hap n ASP 63 N -4.92 0.13 -4.59 5.81 8.00 0.33 -4.88 116.55 116.42 1hap n ASP 63 Ca -0.09 -0.05 -0.25 0.00 0.71 0.00 0.00 54.79 55.11 1hap n ASP 63 Cb 0.26 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 1hap n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hap s LEU 64 N -2.71 3.04 -0.01 0.64 1.43 -1.06 -1.69 118.68 118.33 1hap s LEU 64 Ca 0.23 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1hap s LEU 64 Cb 0.20 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1hap s LEU 64 CO 0.50 0.06 -0.04 -0.22 0.23 0.00 0.00 176.35 176.89 1hap s LEU 65 N -3.16 1.87 -0.12 1.79 2.96 -0.78 -4.78 118.68 116.46 1hap s LEU 65 Ca 0.28 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1hap s LEU 65 Cb -0.08 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 1hap s LEU 65 CO 0.17 0.03 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.52 1hap s VAL 66 N 0.09 4.10 -0.16 1.68 1.01 -0.64 -0.95 120.40 125.54 1hap s VAL 66 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1hap s VAL 66 Cb -0.04 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1hap s VAL 66 CO -0.00 0.55 0.07 0.00 0.00 0.00 0.00 175.10 175.71 1hap s ARG 67 N -0.29 0.25 -0.12 2.72 1.70 0.25 0.18 118.95 123.64 1hap s ARG 67 Ca 0.06 -0.12 -0.10 0.00 -0.47 0.00 0.00 55.73 55.09 1hap s ARG 67 Cb -0.12 -1.73 -0.05 0.00 -0.57 0.00 0.00 34.95 32.48 1hap s ARG 67 CO 0.02 -0.61 0.22 0.42 -1.08 0.00 0.00 175.30 174.28 1hap s ILE 68 N 2.05 5.36 0.00 4.99 1.09 0.12 -1.68 121.20 133.13 1hap s ILE 68 Ca 0.02 0.40 0.00 0.00 -1.10 0.00 0.00 60.65 59.96 1hap s ILE 68 Cb -0.16 -3.52 0.00 0.00 -1.06 0.00 0.00 42.46 37.72 1hap s ILE 68 CO -0.08 0.53 0.00 0.61 -0.10 0.00 0.00 174.94 175.90 1hap n GLY 69 N 2.54 1.46 3.97 6.18 0.00 -1.26 0.21 105.19 118.29 1hap n GLY 69 Ca -0.16 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1hap n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hap s LYS 70 N -1.90 0.95 0.00 1.61 1.02 -1.26 -3.98 119.74 116.18 1hap s LYS 70 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1hap s LYS 70 Cb 0.00 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1hap s LYS 70 CO 0.00 -2.08 0.00 1.58 -0.92 0.00 0.00 175.35 173.93 1hap n HIS 71 N -3.39 -0.83 -2.28 3.18 -0.00 -1.26 -4.96 115.22 105.68 1hap n HIS 71 Ca 0.16 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.49 1hap n HIS 71 Cb 0.60 0.25 -0.03 0.00 -0.00 0.00 0.00 29.99 30.81 1hap n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1hap s SER 72 N -0.18 6.86 0.04 0.26 1.04 -1.26 -2.30 113.70 118.16 1hap s SER 72 Ca 0.00 2.47 -0.31 0.00 0.48 0.00 0.00 55.95 58.58 1hap s SER 72 Cb 0.00 -2.63 -0.17 0.00 0.10 0.00 0.00 66.02 63.32 1hap s SER 72 CO 0.00 -0.45 1.35 -0.09 0.98 0.00 0.00 173.24 175.03 1hap h ARG 73 N 3.31 -1.08 0.37 4.02 2.43 0.45 -3.41 114.38 120.47 1hap h ARG 73 Ca -0.48 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1hap h ARG 73 Cb 1.22 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1hap h ARG 73 CO 0.65 -0.72 -0.18 1.15 -1.51 0.00 0.00 179.97 179.36 1hap h THR 74 N -1.23 0.00 -4.23 0.20 2.02 -1.84 -3.47 112.91 104.35 1hap h THR 74 Ca -0.11 -0.02 -0.49 0.00 0.77 0.00 0.00 66.41 66.56 1hap h THR 74 Cb 0.86 0.00 0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1hap h THR 74 CO 0.19 0.00 0.38 -0.13 0.37 0.00 0.00 175.52 176.33 1hap s ARG 75 N -4.00 3.38 -0.65 6.66 0.52 -1.26 -5.00 118.95 118.60 1hap s ARG 75 Ca -0.07 1.08 -0.22 0.00 -0.52 0.00 0.00 55.73 55.99 1hap s ARG 75 Cb 0.01 -2.05 0.07 0.00 0.52 0.00 0.00 34.95 33.50 1hap s ARG 75 CO 0.22 -0.75 0.95 -0.47 0.02 0.00 0.00 175.30 175.26 1hap s TYR 76 N -2.65 2.70 -0.90 -0.53 5.04 -1.26 -4.78 117.35 114.97 1hap s TYR 76 Ca 0.61 -0.52 -0.25 0.00 -2.44 0.00 0.00 57.07 54.47 1hap s TYR 76 Cb -0.14 -4.25 -0.18 0.00 0.35 0.00 0.00 41.96 37.73 1hap s TYR 76 CO 0.41 -1.61 2.25 0.39 -1.34 0.00 0.00 175.55 175.65 1hap n GLU 77 N 7.62 0.33 -0.16 4.97 1.02 -1.26 -4.75 120.64 128.41 1hap n GLU 77 Ca -0.04 -1.14 0.12 0.00 -0.02 0.00 0.00 57.16 56.08 1hap n GLU 77 Cb 0.45 -3.62 0.22 0.00 -0.02 0.00 0.00 31.44 28.47 1hap n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1hap n ARG 77 N 8.29 -0.03 -0.54 3.49 0.63 -1.26 -1.06 116.66 126.17 1hap n ARG 77 Ca 0.44 0.68 0.03 0.00 -0.92 0.00 0.00 57.85 58.08 1hap n ARG 77 Cb 0.44 -1.16 0.04 0.00 0.45 0.00 0.00 32.46 32.23 1hap n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1hap n ASN 78 N -4.27 0.62 0.00 6.15 5.03 -1.26 -4.78 115.26 116.74 1hap n ASN 78 Ca 0.15 -2.27 0.00 0.00 0.87 0.00 0.00 54.58 53.33 1hap n ASN 78 Cb 0.51 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 1hap n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1hap n ILE 79 N -0.25 0.04 -2.04 2.41 3.06 -0.89 -5.03 119.36 116.66 1hap n ILE 79 Ca 0.04 0.01 -0.41 0.00 -2.50 0.00 0.00 62.75 59.89 1hap n ILE 79 Cb 0.74 -1.46 -0.02 0.00 0.54 0.00 0.00 39.64 39.44 1hap n ILE 79 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1hap s GLU 80 N -2.00 4.28 -0.07 9.51 2.12 -0.23 -4.78 118.70 127.54 1hap s GLU 80 Ca 0.00 2.27 0.01 0.00 0.36 0.00 0.00 54.97 57.61 1hap s GLU 80 Cb 0.00 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 31.29 1hap s GLU 80 CO 0.00 -0.40 -0.07 0.15 -0.54 0.00 0.00 175.26 174.40 1hap s LYS 81 N -0.29 1.21 -0.22 4.30 1.02 0.57 -4.84 119.74 121.49 1hap s LYS 81 Ca 0.59 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 56.30 1hap s LYS 81 Cb -0.41 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1hap s LYS 81 CO 0.42 -0.12 0.09 0.42 -0.92 0.00 0.00 175.35 175.24 1hap s ILE 82 N 1.16 4.70 0.17 2.17 1.01 -1.26 0.13 121.20 129.28 1hap s ILE 82 Ca -0.06 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.64 1hap s ILE 82 Cb -0.14 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1hap s ILE 82 CO -0.01 0.38 -0.23 -0.44 0.00 0.00 0.00 174.94 174.64 1hap s SER 83 N 1.05 3.21 -0.64 3.58 0.01 0.47 -4.96 113.70 116.42 1hap s SER 83 Ca 0.05 -0.84 -0.21 0.00 1.31 0.00 0.00 55.95 56.26 1hap s SER 83 Cb -0.14 -0.22 0.08 0.00 0.21 0.00 0.00 66.02 65.95 1hap s SER 83 CO 0.03 0.09 0.88 -0.04 0.41 0.00 0.00 173.24 174.61 1hap s MET 84 N -2.56 3.09 0.10 12.44 1.00 -1.26 -1.62 119.30 130.49 1hap s MET 84 Ca 0.18 -1.02 -0.31 0.00 0.00 0.00 0.00 55.69 54.54 1hap s MET 84 Cb -0.08 -4.25 -0.09 0.00 0.00 0.00 0.00 34.83 30.41 1hap s MET 84 CO 0.08 -1.72 1.73 -0.51 0.00 0.00 0.00 175.02 174.60 1hap s LEU 85 N 3.56 4.38 -0.03 -0.03 1.02 -1.26 0.76 118.68 127.08 1hap s LEU 85 Ca 0.19 2.62 -0.09 0.00 0.02 0.00 0.00 54.13 56.86 1hap s LEU 85 Cb -0.19 -3.57 -0.30 0.00 0.02 0.00 0.00 46.19 42.15 1hap s LEU 85 CO 0.08 -0.94 0.73 -0.08 0.02 0.00 0.00 176.35 176.16 1hap h GLU 86 N 8.35 0.36 -1.91 1.70 4.81 -0.22 -3.43 114.58 124.25 1hap h GLU 86 Ca -0.44 -0.62 0.18 0.00 -0.13 0.00 0.00 59.36 58.35 1hap h GLU 86 Cb 1.21 0.23 -0.17 0.00 0.63 0.00 0.00 28.75 30.65 1hap h GLU 86 CO 0.94 1.26 0.64 0.15 -0.73 0.00 0.00 179.01 181.27 1hap s LYS 87 N -2.59 0.59 0.07 1.92 -0.14 -0.81 -4.97 119.74 113.82 1hap s LYS 87 Ca -0.14 -0.23 0.08 0.00 -1.36 0.00 0.00 55.97 54.33 1hap s LYS 87 Cb 0.06 0.27 -0.03 0.00 -1.68 0.00 0.00 37.83 36.45 1hap s LYS 87 CO 0.86 -0.26 -0.22 0.42 -0.76 0.00 0.00 175.35 175.39 1hap s ILE 88 N -2.80 1.80 -0.24 2.17 1.01 -1.26 0.18 121.20 122.06 1hap s ILE 88 Ca 0.07 -1.39 -0.02 0.00 0.00 0.00 0.00 60.65 59.31 1hap s ILE 88 Cb -0.01 -1.58 0.07 0.00 0.01 0.00 0.00 42.46 40.95 1hap s ILE 88 CO -0.07 0.13 0.05 -0.31 0.00 0.00 0.00 174.94 174.74 1hap s TYR 89 N -0.94 1.32 0.51 3.97 1.51 -0.75 -4.96 117.35 118.01 1hap s TYR 89 Ca 0.08 -1.21 -0.13 0.00 -1.01 0.00 0.00 57.07 54.80 1hap s TYR 89 Cb -0.09 -1.28 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 1hap s TYR 89 CO 0.03 -0.72 0.93 0.42 -1.11 0.00 0.00 175.55 175.10 1hap s ILE 90 N 1.75 4.66 -0.00 2.71 -1.09 -1.26 -2.55 121.20 125.42 1hap s ILE 90 Ca 0.02 0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 59.07 1hap s ILE 90 Cb -0.17 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1hap s ILE 90 CO -0.15 -0.77 1.10 -2.28 -1.23 0.00 0.00 174.94 171.61 1hap s HIS 91 N -2.71 3.48 0.18 3.97 2.46 -1.18 -4.97 115.29 116.52 1hap s HIS 91 Ca 0.55 1.46 -0.26 0.00 0.47 0.00 0.00 55.06 57.29 1hap s HIS 91 Cb -0.10 -3.28 0.04 0.00 -0.13 0.00 0.00 32.58 29.10 1hap s HIS 91 CO 0.38 -0.70 1.55 -1.35 -2.47 0.00 0.00 174.74 172.15 1hap h PRO 92 N 6.95 -0.12 -0.98 2.88 0.11 -1.93 -1.26 132.00 137.65 1hap h PRO 92 Ca -0.39 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1hap h PRO 92 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1hap h PRO 92 CO 0.81 -0.08 0.00 0.54 -0.21 0.00 0.00 178.00 179.06 1hap n ARG 93 N -5.37 0.96 -1.70 1.05 5.12 -1.26 -4.86 116.66 110.60 1hap n ARG 93 Ca 0.03 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.52 1hap n ARG 93 Cb 0.33 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 1hap n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1hap n TYR 94 N 0.14 2.45 -3.80 -1.55 9.36 -0.48 -4.72 117.16 118.56 1hap n TYR 94 Ca 0.00 0.29 -0.28 0.00 3.32 0.00 0.00 57.90 61.23 1hap n TYR 94 Cb 0.30 -2.55 -0.12 0.00 -0.63 0.00 0.00 39.34 36.34 1hap n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1hap s ASN 95 N 0.62 4.13 0.29 2.98 2.47 -1.19 -4.95 114.94 119.30 1hap s ASN 95 Ca 0.71 -3.63 0.24 0.00 0.42 0.00 0.00 52.86 50.60 1hap s ASN 95 Cb -0.60 -1.39 0.48 0.00 -1.45 0.00 0.00 41.25 38.29 1hap s ASN 95 CO 0.44 -0.11 1.58 4.11 -3.72 0.00 0.00 177.10 179.40 1hap h TRP 96 N 5.54 0.00 0.30 0.43 5.08 -1.92 -1.92 115.95 123.46 1hap h TRP 96 Ca 0.15 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.11 1hap h TRP 96 Cb 0.79 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.96 1hap h TRP 96 CO 0.59 0.00 -0.14 0.00 -1.28 0.00 0.00 178.44 177.61 1hap h ARG 97 N 0.00 -0.39 0.00 0.12 3.08 -1.99 -3.44 114.38 111.76 1hap h ARG 97 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1hap h ARG 97 Cb 0.87 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1hap h ARG 97 CO 0.00 -0.07 -0.44 0.39 -1.07 0.00 0.00 179.97 178.79 1hap n GLU 97 N -5.07 0.37 -0.05 0.04 1.02 -1.20 -4.97 120.64 110.79 1hap n GLU 97 Ca -0.08 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1hap n GLU 97 Cb 0.26 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1hap n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1hap n ASN 98 N -4.20 0.00 -0.84 1.62 6.94 -1.22 -4.88 115.26 112.69 1hap n ASN 98 Ca -0.06 -1.00 -0.08 0.00 -0.02 0.00 0.00 54.58 53.42 1hap n ASN 98 Cb 0.23 -0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.64 1hap n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1hap n LEU 99 N 0.00 -1.26 -4.68 -4.53 4.32 -0.72 -4.99 117.00 105.15 1hap n LEU 99 Ca 0.00 0.02 -0.45 0.00 -0.02 0.00 0.00 56.01 55.55 1hap n LEU 99 Cb 0.50 -1.39 -0.03 0.00 -1.62 0.00 0.00 43.42 40.87 1hap n LEU 99 CO 0.00 -0.12 1.13 -0.67 -1.22 0.00 0.00 177.39 176.52 1hap n ASP 100 N 0.56 3.04 -4.09 -1.43 -0.08 -1.26 -2.11 116.55 111.19 1hap n ASP 100 Ca -0.09 1.11 -0.47 0.00 -1.51 0.00 0.00 54.79 53.83 1hap n ASP 100 Cb 0.53 -1.44 0.02 0.00 2.34 0.00 0.00 41.12 42.57 1hap n ASP 100 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1hap n ARG 101 N 2.84 -0.24 -0.96 -0.67 1.74 -1.26 -3.17 116.66 114.95 1hap n ARG 101 Ca 0.14 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 57.06 1hap n ARG 101 Cb 0.30 -2.40 -0.06 0.00 -1.02 0.00 0.00 32.46 29.29 1hap n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1hap n ASP 102 N -2.12 6.05 -4.33 0.55 -0.08 -0.90 -4.28 116.55 111.44 1hap n ASP 102 Ca -0.12 -2.39 -0.18 0.00 -1.51 0.00 0.00 54.79 50.59 1hap n ASP 102 Cb 0.56 -1.27 -0.10 0.00 2.34 0.00 0.00 41.12 42.65 1hap n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1hap s ILE 103 N 2.33 1.67 -0.13 5.18 2.07 -1.26 -3.66 121.20 127.40 1hap s ILE 103 Ca 0.55 -2.18 -0.10 0.00 -1.41 0.00 0.00 60.65 57.51 1hap s ILE 103 Cb 0.18 -2.01 0.04 0.00 0.13 0.00 0.00 42.46 40.80 1hap s ILE 103 CO -0.03 -0.60 0.33 0.00 -1.91 0.00 0.00 174.94 172.73 1hap s ALA 104 N -2.97 -0.82 0.53 1.50 0.00 -0.39 -3.12 121.76 116.49 1hap s ALA 104 Ca 0.21 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.34 1hap s ALA 104 Cb -0.01 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.51 1hap s ALA 104 CO 0.06 -0.19 0.73 -0.51 0.00 0.00 0.00 175.76 175.85 1hap s LEU 105 N 0.71 3.32 -0.27 0.00 1.43 -1.06 -1.13 118.68 121.69 1hap s LEU 105 Ca -0.04 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 1hap s LEU 105 Cb -0.06 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 44.02 1hap s LEU 105 CO -0.05 -1.15 0.69 -0.04 0.23 0.00 0.00 176.35 176.03 1hap s MET 106 N -4.61 0.77 -0.20 1.70 -1.94 -0.25 -1.81 119.30 112.97 1hap s MET 106 Ca 0.59 1.07 -0.06 0.00 -1.71 0.00 0.00 55.69 55.58 1hap s MET 106 Cb -0.08 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 37.03 1hap s MET 106 CO 0.37 -0.12 0.03 -1.59 -0.01 0.00 0.00 175.02 173.70 1hap s LYS 107 N 0.85 3.72 0.91 2.03 -2.85 0.47 -1.76 119.74 123.11 1hap s LYS 107 Ca -0.04 -0.47 -0.11 0.00 -1.00 0.00 0.00 55.97 54.35 1hap s LYS 107 Cb -0.05 -3.15 0.10 0.00 -2.06 0.00 0.00 37.83 32.68 1hap s LYS 107 CO -0.07 0.06 0.93 1.28 0.10 0.00 0.00 175.35 177.65 1hap n LEU 108 N 4.14 2.43 0.00 2.77 4.77 0.34 0.36 117.00 131.80 1hap n LEU 108 Ca -0.17 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1hap n LEU 108 Cb 0.52 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1hap n LEU 108 CO 0.32 -2.53 0.38 1.17 -1.33 0.00 0.00 177.39 175.41 1hap n LYS 109 N -3.30 0.00 -4.35 3.23 4.81 3.86 -3.97 118.16 118.44 1hap n LYS 109 Ca 0.11 0.41 -0.27 0.00 -0.87 0.00 0.00 58.31 57.69 1hap n LYS 109 Cb 0.52 -1.33 -0.11 0.00 0.02 0.00 0.00 35.03 34.13 1hap n LYS 109 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1hap s LYS 110 N -2.37 1.79 0.22 1.64 -2.85 -1.26 -4.83 119.74 112.09 1hap s LYS 110 Ca 0.00 -1.38 -0.32 0.00 -1.00 0.00 0.00 55.97 53.27 1hap s LYS 110 Cb 0.00 -2.01 -0.14 0.00 -2.06 0.00 0.00 37.83 33.62 1hap s LYS 110 CO 0.00 0.42 1.32 -2.30 0.10 0.00 0.00 175.35 174.89 1hap n PRO 111 N 0.19 1.76 -2.67 1.78 -0.02 -1.26 -4.87 135.00 129.92 1hap n PRO 111 Ca -0.12 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1hap n PRO 111 Cb 0.56 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1hap n PRO 111 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hap s VAL 112 N -0.14 4.73 0.33 -1.45 -7.23 1.71 -4.96 120.40 113.39 1hap s VAL 112 Ca 0.69 2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 62.57 1hap s VAL 112 Cb -0.71 -4.29 -0.10 0.00 0.56 0.00 0.00 36.38 31.84 1hap s VAL 112 CO 0.51 0.02 1.30 0.00 -0.31 0.00 0.00 175.10 176.61 1hap s ALA 113 N 1.96 3.49 0.50 1.32 0.00 -1.26 -4.62 121.76 123.14 1hap s ALA 113 Ca 0.49 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.66 1hap s ALA 113 Cb -0.19 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1hap s ALA 113 CO 0.19 -0.62 0.78 -0.06 0.00 0.00 0.00 175.76 176.05 1hap s PHE 114 N -1.14 3.44 0.10 0.00 0.08 -1.26 -4.84 117.98 114.35 1hap s PHE 114 Ca 0.49 0.67 -0.27 0.00 0.12 0.00 0.00 56.93 57.94 1hap s PHE 114 Cb -0.39 -2.38 0.08 0.00 -0.57 0.00 0.00 43.02 39.76 1hap s PHE 114 CO 0.52 -0.40 1.08 -1.54 -0.10 0.00 0.00 175.22 174.79 1hap s SER 115 N -4.16 -0.11 0.19 1.36 1.04 0.35 -4.86 113.70 107.50 1hap s SER 115 Ca 0.49 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.54 1hap s SER 115 Cb -0.10 0.37 0.36 0.00 0.10 0.00 0.00 66.02 66.75 1hap s SER 115 CO 0.43 -0.70 1.03 0.47 0.98 0.00 0.00 173.24 175.45 1hap n ASP 116 N -0.57 -0.19 0.04 7.02 9.92 -1.26 -0.80 116.55 130.72 1hap n ASP 116 Ca -0.06 1.13 -0.04 0.00 -0.53 0.00 0.00 54.79 55.29 1hap n ASP 116 Cb 0.61 -0.36 -0.09 0.00 -0.64 0.00 0.00 41.12 40.64 1hap n ASP 116 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1hap h TYR 117 N 0.00 0.00 -3.40 1.24 0.05 -1.94 -3.46 116.97 109.45 1hap h TYR 117 Ca 0.34 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.45 1hap h TYR 117 Cb 0.57 0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.01 1hap h TYR 117 CO -0.46 0.80 -0.75 0.42 -1.05 0.00 0.00 178.16 177.12 1hap s ILE 118 N -2.78 2.99 -0.19 -2.88 1.01 0.02 -4.21 121.20 115.17 1hap s ILE 118 Ca -0.01 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.59 1hap s ILE 118 Cb 0.09 -2.42 0.07 0.00 0.01 0.00 0.00 42.46 40.20 1hap s ILE 118 CO 0.81 0.33 0.68 -2.28 0.00 0.00 0.00 174.94 174.47 1hap s HIS 119 N 1.39 -0.71 0.32 3.97 2.46 -0.50 0.13 115.29 122.35 1hap s HIS 119 Ca 0.03 1.59 -0.05 0.00 0.47 0.00 0.00 55.06 57.10 1hap s HIS 119 Cb -0.15 0.30 -0.05 0.00 -0.13 0.00 0.00 32.58 32.55 1hap s HIS 119 CO -0.05 -0.44 0.60 -1.25 -2.47 0.00 0.00 174.74 171.13 1hap s PRO 120 N -0.15 3.63 0.52 2.88 0.05 -1.26 -1.02 135.00 139.66 1hap s PRO 120 Ca -0.04 0.06 -0.04 0.00 0.05 0.00 0.00 61.00 61.03 1hap s PRO 120 Cb -0.03 -2.59 -0.01 0.00 0.05 0.00 0.00 34.50 31.92 1hap s PRO 120 CO 0.04 0.14 0.80 0.54 0.05 0.00 0.00 177.00 178.57 1hap s VAL 121 N -2.19 4.11 0.25 -0.36 0.11 -1.16 -4.87 120.40 116.30 1hap s VAL 121 Ca 0.45 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.12 1hap s VAL 121 Cb -0.10 -3.58 -0.09 0.00 -1.53 0.00 0.00 36.38 31.07 1hap s VAL 121 CO 0.32 -0.54 0.98 0.00 -3.33 0.00 0.00 175.10 172.53 1hap s LEU 123 N -1.25 4.31 0.11 0.00 1.43 -1.26 -0.28 118.68 121.75 1hap s LEU 123 Ca 0.42 0.47 -0.33 0.00 -1.03 0.00 0.00 54.13 53.66 1hap s LEU 123 Cb -0.28 -2.22 -0.13 0.00 0.03 0.00 0.00 46.19 43.60 1hap s LEU 123 CO 0.34 0.25 1.70 -2.65 0.23 0.00 0.00 176.35 176.22 1hap n PRO 124 N 2.82 2.33 -3.77 1.29 -0.01 -1.26 -4.95 135.00 131.45 1hap n PRO 124 Ca -0.16 0.85 -0.29 0.00 -0.01 0.00 0.00 63.50 63.89 1hap n PRO 124 Cb 0.53 -2.66 -0.04 0.00 -0.01 0.00 0.00 33.50 31.32 1hap n PRO 124 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 175.50 175.65 1hap s ASP 125 N 1.84 6.40 0.42 2.55 1.47 -1.26 -4.85 116.67 123.24 1hap s ASP 125 Ca 0.82 0.39 0.29 0.00 1.18 0.00 0.00 52.55 55.23 1hap s ASP 125 Cb -0.63 -2.01 1.45 0.00 -0.34 0.00 0.00 42.92 41.40 1hap s ASP 125 CO 0.40 0.04 1.58 -0.09 0.68 0.00 0.00 175.17 177.78 1hap h ARG 126 N 2.47 0.01 0.25 2.11 9.65 -1.99 -0.94 114.38 125.95 1hap h ARG 126 Ca -0.47 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1hap h ARG 126 Cb 1.18 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1hap h ARG 126 CO 0.71 0.01 -0.12 1.49 2.80 0.00 0.00 179.97 184.86 1hap h GLU 127 N 0.01 -0.33 -1.41 0.20 4.81 -2.02 -2.48 114.58 113.37 1hap h GLU 127 Ca 0.87 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.12 1hap h GLU 127 Cb 2.67 0.07 0.00 0.00 0.63 0.00 0.00 28.75 32.12 1hap h GLU 127 CO -0.54 -0.22 0.00 2.41 -0.73 0.00 0.00 179.01 179.93 1hap n THR 128 N -3.51 0.00 0.00 0.32 -1.04 -0.36 -2.45 114.28 107.25 1hap n THR 128 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1hap n THR 128 Cb 0.13 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1hap n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hap n ALA 129 N 0.75 0.00 0.12 2.41 0.00 -0.93 -1.42 120.51 121.43 1hap n ALA 129 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1hap n ALA 129 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1hap n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hap h SER 129 N 0.00 0.57 0.00 0.00 4.64 -1.80 -3.40 113.55 113.55 1hap h SER 129 Ca 0.00 -0.62 -0.09 0.00 -0.47 0.00 0.00 61.79 60.61 1hap h SER 129 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1hap h SER 129 CO 0.00 1.49 -0.56 -0.07 -0.87 0.00 0.00 176.83 176.82 1hap h LEU 129 N 0.10 0.00 -8.31 5.97 3.38 -1.51 -3.43 115.31 111.50 1hap h LEU 129 Ca -0.18 -0.54 -0.29 0.00 0.09 0.00 0.00 57.88 56.96 1hap h LEU 129 Cb 2.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.76 1hap h LEU 129 CO 0.23 1.09 0.76 -0.76 0.09 0.00 0.00 178.44 179.85 1hap s LEU 130 N -8.13 3.15 -0.20 1.67 1.43 -1.26 -4.79 118.68 110.55 1hap s LEU 130 Ca -0.20 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1hap s LEU 130 Cb 0.02 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.74 1hap s LEU 130 CO 0.50 -2.89 0.55 -1.10 0.23 0.00 0.00 176.35 173.63 1hap s GLN 131 N 7.42 0.63 -0.09 1.70 -0.21 -1.26 -4.94 119.66 122.92 1hap s GLN 131 Ca 0.75 0.76 -0.29 0.00 0.02 0.00 0.00 55.36 56.60 1hap s GLN 131 Cb -0.09 0.31 -0.07 0.00 1.00 0.00 0.00 33.01 34.15 1hap s GLN 131 CO 0.06 -0.08 2.10 0.00 -2.12 0.00 0.00 175.29 175.26 1hap s ALA 132 N 0.31 3.14 0.00 6.09 0.00 -1.26 -1.97 121.76 128.07 1hap s ALA 132 Ca -0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1hap s ALA 132 Cb -0.04 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1hap s ALA 132 CO 0.00 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 173.97 1hap n GLY 133 N 5.17 2.88 3.75 0.00 0.00 0.18 -4.95 105.19 112.23 1hap n GLY 133 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1hap n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hap s TYR 134 N -2.57 3.10 0.42 1.61 1.51 -0.83 -4.62 117.35 115.96 1hap s TYR 134 Ca 0.00 1.25 -0.04 0.00 -1.01 0.00 0.00 57.07 57.27 1hap s TYR 134 Cb 0.00 -3.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.12 1hap s TYR 134 CO 0.00 -2.09 0.70 0.15 -1.11 0.00 0.00 175.55 173.20 1hap s LYS 135 N -0.93 3.55 0.07 -0.62 1.02 -1.26 0.50 119.74 122.07 1hap s LYS 135 Ca 0.54 0.05 -0.06 0.00 0.02 0.00 0.00 55.97 56.52 1hap s LYS 135 Cb -0.39 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1hap s LYS 135 CO 0.46 -0.06 0.10 0.20 -0.92 0.00 0.00 175.35 175.13 1hap s GLY 136 N -3.96 0.24 -0.18 -3.33 0.00 -0.22 -4.83 107.32 95.05 1hap s GLY 136 Ca 0.45 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1hap s GLY 136 CO 0.40 -1.01 -0.14 -1.60 0.00 0.00 0.00 173.10 170.76 1hap s ARG 137 N -3.89 2.37 0.07 2.90 3.52 0.28 -1.90 118.95 122.30 1hap s ARG 137 Ca 0.06 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1hap s ARG 137 Cb 0.06 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 1hap s ARG 137 CO -0.10 -0.30 0.09 0.08 -0.81 0.00 0.00 175.30 174.25 1hap s VAL 138 N 1.40 4.61 0.06 7.11 1.01 -1.06 -1.09 120.40 132.44 1hap s VAL 138 Ca 0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1hap s VAL 138 Cb -0.14 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1hap s VAL 138 CO -0.10 0.15 0.24 0.42 0.00 0.00 0.00 175.10 175.80 1hap s THR 139 N -1.38 0.11 0.00 3.92 -4.23 -1.24 -2.40 115.64 110.42 1hap s THR 139 Ca 0.29 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1hap s THR 139 Cb -0.12 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1hap s THR 139 CO 0.22 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1hap n GLY 140 N 0.38 3.28 1.95 3.99 0.00 0.27 -4.72 105.19 110.33 1hap n GLY 140 Ca -0.17 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1hap n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hap n TRP 141 N -1.63 0.19 -2.86 1.61 8.01 -1.26 -2.51 117.44 118.99 1hap n TRP 141 Ca 0.00 -1.46 -0.20 0.00 -1.31 0.00 0.00 57.50 54.53 1hap n TRP 141 Cb 0.00 -1.36 0.02 0.00 -2.01 0.00 0.00 31.31 27.97 1hap n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1hap s GLY 142 N 1.79 1.82 0.45 6.99 0.00 -1.26 -4.77 107.32 112.34 1hap s GLY 142 Ca 0.53 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 43.62 1hap s GLY 142 CO -0.02 -1.19 0.44 0.70 0.00 0.00 0.00 173.10 173.03 1hap n ASN 143 N -2.10 -1.35 0.10 1.64 3.02 -0.83 -3.60 115.26 112.13 1hap n ASN 143 Ca 0.07 0.85 0.11 0.00 -0.03 0.00 0.00 54.58 55.57 1hap n ASN 143 Cb 0.59 -1.07 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 1hap n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hap n LEU 144 N 1.39 0.84 -3.89 3.41 4.77 -1.08 -3.66 117.00 118.78 1hap n LEU 144 Ca 0.11 0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1hap n LEU 144 Cb 0.41 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1hap n LEU 144 CO 0.54 -0.16 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.54 1hap s LYS 145 N -3.33 0.07 0.31 3.23 3.01 -1.26 -4.49 119.74 117.28 1hap s LYS 145 Ca -0.01 -0.04 0.07 0.00 -1.01 0.00 0.00 55.97 54.98 1hap s LYS 145 Cb 0.10 -0.06 0.88 0.00 -1.01 0.00 0.00 37.83 37.74 1hap s LYS 145 CO 0.79 0.02 1.63 1.05 0.51 0.00 0.00 175.35 179.35 1hap h GLU 146 N 6.10 0.18 -4.62 1.68 4.11 -1.88 -3.40 114.58 116.75 1hap h GLU 146 Ca -0.25 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 58.93 1hap h GLU 146 Cb 1.21 -0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.24 1hap h GLU 146 CO 0.51 0.12 -0.71 -0.08 0.07 0.00 0.00 179.01 178.92 1hap s THR 147 N -5.83 0.63 0.00 -1.06 -1.32 -1.26 -4.95 115.64 101.85 1hap s THR 147 Ca -0.11 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1hap s THR 147 Cb 0.28 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1hap s THR 147 CO 0.78 -0.69 0.00 -2.67 -2.21 0.00 0.00 174.62 169.83 1hap n TRP 148 N 0.53 0.00 0.00 9.09 2.14 -1.26 -5.05 117.44 122.89 1hap n TRP 148 Ca -0.16 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.41 1hap n TRP 148 Cb 0.58 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.08 1hap n TRP 148 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1hap n GLY 150 N 0.00 0.00 3.41 -1.67 0.00 -1.26 -5.23 105.19 100.44 1hap n GLY 150 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1hap n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hap s GLN 151 N 0.00 0.96 0.49 1.61 1.11 -1.26 -2.63 119.66 119.93 1hap s GLN 151 Ca 0.00 -0.02 -0.18 0.00 0.01 0.00 0.00 55.36 55.16 1hap s GLN 151 Cb 0.00 0.44 -0.09 0.00 -1.01 0.00 0.00 33.01 32.35 1hap s GLN 151 CO 0.00 -0.31 0.98 -1.25 0.01 0.00 0.00 175.29 174.72 1hap s PRO 152 N -1.66 4.01 0.00 2.91 0.04 -1.26 -4.88 135.00 134.16 1hap s PRO 152 Ca -0.10 1.04 0.24 0.00 0.04 0.00 0.00 61.00 62.22 1hap s PRO 152 Cb -0.01 -2.14 0.36 0.00 0.04 0.00 0.00 34.50 32.74 1hap s PRO 152 CO 0.05 -0.22 1.31 -1.13 0.04 0.00 0.00 177.00 177.05 1hap n SER 153 N -1.25 1.19 -4.11 6.66 3.41 -1.26 -4.54 113.62 113.72 1hap n SER 153 Ca 0.07 -0.95 -0.11 0.00 -0.26 0.00 0.00 58.87 57.62 1hap n SER 153 Cb 0.54 0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 64.76 1hap n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hap s VAL 154 N -2.66 0.55 -0.10 -3.33 1.01 -1.26 0.31 120.40 114.91 1hap s VAL 154 Ca 0.18 -1.55 -0.33 0.00 0.00 0.00 0.00 61.98 60.28 1hap s VAL 154 Cb 0.18 -1.19 -0.11 0.00 0.00 0.00 0.00 36.38 35.26 1hap s VAL 154 CO 0.62 -0.69 1.94 -0.11 0.00 0.00 0.00 175.10 176.86 1hap n LEU 155 N 0.62 3.46 -4.89 3.92 7.94 -0.97 -4.62 117.00 122.45 1hap n LEU 155 Ca -0.17 0.88 -0.32 0.00 -1.11 0.00 0.00 56.01 55.29 1hap n LEU 155 Cb 0.58 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 43.09 1hap n LEU 155 CO 0.26 -0.10 -0.17 -1.10 -1.11 0.00 0.00 177.39 175.17 1hap s GLN 156 N 4.44 3.37 -0.04 1.96 -1.52 -1.04 -0.42 119.66 126.40 1hap s GLN 156 Ca 0.94 -0.40 0.04 0.00 -1.95 0.00 0.00 55.36 53.98 1hap s GLN 156 Cb -0.64 -3.03 -0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1hap s GLN 156 CO 0.49 0.64 -0.14 0.14 -0.25 0.00 0.00 175.29 176.18 1hap s VAL 157 N -1.38 1.18 0.03 1.09 -7.23 0.27 0.93 120.40 115.28 1hap s VAL 157 Ca 0.30 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1hap s VAL 157 Cb -0.13 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1hap s VAL 157 CO 0.22 0.35 -0.06 0.54 -0.31 0.00 0.00 175.10 175.84 1hap s VAL 158 N 0.13 0.40 -0.34 1.32 0.11 -1.01 -1.36 120.40 119.65 1hap s VAL 158 Ca -0.04 -0.83 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1hap s VAL 158 Cb -0.11 -0.46 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1hap s VAL 158 CO 0.02 -0.29 0.10 0.20 -3.33 0.00 0.00 175.10 171.79 1hap s ASN 159 N -1.19 5.17 0.16 3.54 0.01 -1.26 -2.56 114.94 118.81 1hap s ASN 159 Ca -0.08 -1.38 0.11 0.00 -0.71 0.00 0.00 52.86 50.79 1hap s ASN 159 Cb -0.08 -1.81 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 1hap s ASN 159 CO 0.00 -0.36 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.22 1hap s LEU 160 N 1.30 2.41 -0.06 0.60 1.43 -0.80 -4.93 118.68 118.63 1hap s LEU 160 Ca -0.01 -0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 1hap s LEU 160 Cb -0.20 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1hap s LEU 160 CO 0.00 0.15 0.66 -2.16 0.23 0.00 0.00 176.35 175.23 1hap s PRO 161 N -2.33 4.41 0.20 1.29 0.04 -1.26 -1.06 135.00 136.30 1hap s PRO 161 Ca 0.17 0.80 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 1hap s PRO 161 Cb -0.09 -3.43 -0.11 0.00 0.04 0.00 0.00 34.50 30.91 1hap s PRO 161 CO 0.08 0.12 1.61 0.42 0.04 0.00 0.00 177.00 179.27 1hap s ILE 162 N 0.62 2.37 0.16 0.56 -1.09 0.18 -1.87 121.20 122.14 1hap s ILE 162 Ca 0.35 0.27 -0.07 0.00 -2.23 0.00 0.00 60.65 58.97 1hap s ILE 162 Cb -0.17 -3.17 -0.06 0.00 -1.58 0.00 0.00 42.46 37.47 1hap s ILE 162 CO 0.17 0.03 0.43 -0.69 -1.23 0.00 0.00 174.94 173.65 1hap s VAL 163 N 0.93 5.08 0.11 2.92 1.01 -1.16 0.49 120.40 129.77 1hap s VAL 163 Ca 0.70 0.22 -0.32 0.00 0.00 0.00 0.00 61.98 62.58 1hap s VAL 163 Cb -0.46 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1hap s VAL 163 CO 0.34 0.03 1.83 -0.62 0.00 0.00 0.00 175.10 176.68 1hap n GLU 164 N 0.10 2.70 -0.11 2.72 1.02 -1.26 -4.69 120.64 121.12 1hap n GLU 164 Ca -0.02 0.98 0.01 0.00 -0.02 0.00 0.00 57.16 58.12 1hap n GLU 164 Cb 0.52 -2.87 0.04 0.00 -0.02 0.00 0.00 31.44 29.11 1hap n GLU 164 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1hap n ARG 165 N 5.59 -0.04 0.26 3.49 0.00 -1.26 -1.11 116.66 123.59 1hap n ARG 165 Ca 0.18 0.48 -0.13 0.00 -0.00 0.00 0.00 57.85 58.39 1hap n ARG 165 Cb 0.36 -0.72 -0.06 0.00 0.00 0.00 0.00 32.46 32.04 1hap n ARG 165 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1hap h PRO 166 N 0.00 -0.69 -0.79 -0.14 0.14 -2.01 -3.31 132.00 125.20 1hap h PRO 166 Ca 0.14 0.05 0.15 0.00 0.14 0.00 0.00 66.00 66.47 1hap h PRO 166 Cb 0.21 0.16 -0.14 0.00 0.14 0.00 0.00 31.00 31.37 1hap h PRO 166 CO -0.32 -0.41 -0.23 0.28 0.14 0.00 0.00 178.00 177.46 1hap n VAL 167 N -5.26 -0.36 -0.38 1.56 0.31 -0.27 0.12 118.33 114.05 1hap n VAL 167 Ca -0.10 1.82 -0.03 0.00 -0.01 0.00 0.00 64.34 66.02 1hap n VAL 167 Cb 0.31 -2.47 0.01 0.00 -0.91 0.00 0.00 33.84 30.78 1hap n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hap h LYS 169 N 0.00 0.70 -0.90 0.00 1.57 0.79 -2.36 116.57 116.37 1hap h LYS 169 Ca 0.30 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 1hap h LYS 169 Cb 0.55 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 1hap h LYS 169 CO -0.95 0.47 0.20 -0.25 -0.57 0.00 0.00 179.45 178.34 1hap n ASP 170 N -4.78 3.47 -0.10 0.86 8.00 -1.00 -3.54 116.55 119.47 1hap n ASP 170 Ca 0.13 -2.71 -0.17 0.00 0.71 0.00 0.00 54.79 52.75 1hap n ASP 170 Cb 0.28 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 1hap n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1hap n SER 171 N -0.07 2.05 -3.96 -2.24 3.41 -0.89 -4.99 113.62 106.93 1hap n SER 171 Ca 0.25 0.05 -0.22 0.00 -0.26 0.00 0.00 58.87 58.68 1hap n SER 171 Cb 0.97 -0.42 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 1hap n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1hap s THR 172 N -2.37 0.84 -0.04 6.66 -1.32 -1.23 -4.95 115.64 113.23 1hap s THR 172 Ca -0.26 -0.30 0.22 0.00 -1.21 0.00 0.00 61.69 60.13 1hap s THR 172 Cb 0.08 -0.81 0.22 0.00 -1.51 0.00 0.00 72.50 70.48 1hap s THR 172 CO 0.40 0.29 1.64 0.03 -2.21 0.00 0.00 174.62 174.76 1hap h ARG 173 N 7.09 0.00 -7.05 7.08 3.08 -1.94 -3.41 114.38 119.23 1hap h ARG 173 Ca -0.34 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.17 1hap h ARG 173 Cb 1.17 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.34 1hap h ARG 173 CO 0.47 0.00 0.56 0.42 -1.07 0.00 0.00 179.97 180.35 1hap s ILE 174 N -3.56 2.33 -0.58 2.04 -1.09 -1.26 -4.84 121.20 114.23 1hap s ILE 174 Ca -0.02 0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 58.36 1hap s ILE 174 Cb 0.06 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 1hap s ILE 174 CO 0.20 -0.01 1.53 -0.60 -1.23 0.00 0.00 174.94 174.82 1hap s ARG 175 N -2.98 3.12 0.37 2.79 3.52 -1.26 -4.99 118.95 119.51 1hap s ARG 175 Ca 0.72 0.46 -0.14 0.00 -0.13 0.00 0.00 55.73 56.64 1hap s ARG 175 Cb -0.37 -4.20 -0.08 0.00 -1.56 0.00 0.00 34.95 28.74 1hap s ARG 175 CO 0.42 -2.15 0.78 0.42 -0.81 0.00 0.00 175.30 173.96 1hap s ILE 176 N 6.80 4.68 0.11 4.11 -1.09 -1.26 -4.83 121.20 129.72 1hap s ILE 176 Ca 0.55 0.91 0.02 0.00 -2.23 0.00 0.00 60.65 59.90 1hap s ILE 176 Cb -0.12 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1hap s ILE 176 CO 0.23 -0.32 0.06 0.35 -1.23 0.00 0.00 174.94 174.03 1hap n THR 177 N -0.72 0.00 1.59 2.92 -2.24 -1.26 -5.03 114.28 109.53 1hap n THR 177 Ca 0.04 -0.68 0.15 0.00 -2.27 0.00 0.00 64.05 61.29 1hap n THR 177 Cb 0.53 0.28 0.66 0.00 -2.10 0.00 0.00 70.33 69.71 1hap n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hap n ASP 178 N -2.22 0.70 -1.17 3.42 9.92 -1.26 -2.76 116.55 123.18 1hap n ASP 178 Ca -0.00 -1.00 -0.01 0.00 -0.53 0.00 0.00 54.79 53.25 1hap n ASP 178 Cb 0.17 -0.02 0.22 0.00 -0.64 0.00 0.00 41.12 40.85 1hap n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1hap n ASN 179 N -0.60 3.12 -3.92 -2.24 3.02 -1.26 -4.86 115.26 108.52 1hap n ASN 179 Ca 0.18 -3.48 -0.18 0.00 -0.03 0.00 0.00 54.58 51.07 1hap n ASN 179 Cb 0.26 -0.62 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 1hap n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1hap s MET 180 N -3.10 0.63 -0.02 3.52 -1.94 -1.11 -1.88 119.30 115.40 1hap s MET 180 Ca 0.45 -0.14 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 1hap s MET 180 Cb 0.39 -0.64 -0.01 0.00 2.01 0.00 0.00 34.83 36.58 1hap s MET 180 CO 0.04 0.01 -0.13 -0.59 -0.01 0.00 0.00 175.02 174.35 1hap s PHE 181 N 0.44 1.19 0.22 -0.03 -0.12 -1.25 -4.81 117.98 113.63 1hap s PHE 181 Ca -0.05 -0.26 0.05 0.00 -0.05 0.00 0.00 56.93 56.61 1hap s PHE 181 Cb -0.09 -0.79 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 1hap s PHE 181 CO -0.00 -0.06 0.34 0.00 -0.05 0.00 0.00 175.22 175.45 1hap s ALA 183 N -1.94 -0.86 0.00 0.00 0.00 0.26 -3.00 121.76 116.22 1hap s ALA 183 Ca 0.34 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1hap s ALA 183 Cb -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1hap s ALA 183 CO 0.29 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1hap n GLY 184 N 3.73 0.37 3.80 0.00 0.00 -0.78 -3.05 105.19 109.26 1hap n GLY 184 Ca -0.20 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1hap n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hap s TYR 184 N -2.00 3.77 0.52 1.61 2.02 -1.26 -4.26 117.35 117.74 1hap s TYR 184 Ca 0.00 1.41 -0.03 0.00 -0.37 0.00 0.00 57.07 58.08 1hap s TYR 184 Cb 0.00 -2.61 -0.00 0.00 -0.40 0.00 0.00 41.96 38.95 1hap s TYR 184 CO 0.00 0.46 0.79 0.15 -1.57 0.00 0.00 175.55 175.38 1hap s LYS 185 N -1.50 3.04 0.26 -0.62 1.02 -1.26 -4.93 119.74 115.76 1hap s LYS 185 Ca 0.37 -0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.12 1hap s LYS 185 Cb -0.19 -2.41 0.53 0.00 -0.52 0.00 0.00 37.83 35.24 1hap s LYS 185 CO 0.22 -0.46 1.41 -2.30 -0.92 0.00 0.00 175.35 173.30 1hap n PRO 186 N -2.33 -0.08 -0.04 -1.68 -0.02 -1.26 -1.39 135.00 128.21 1hap n PRO 186 Ca 0.03 1.39 -0.02 0.00 -2.02 0.00 0.00 63.50 62.88 1hap n PRO 186 Cb 0.57 -2.12 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1hap n PRO 186 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1hap n ASP 186 N -5.41 0.27 0.00 2.55 5.75 -1.26 -4.48 116.55 113.97 1hap n ASP 186 Ca 0.17 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1hap n ASP 186 Cb 0.55 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.63 1hap n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1hap n GLU 186 N -2.67 0.00 -3.86 0.11 1.02 -0.48 -4.75 120.64 110.00 1hap n GLU 186 Ca -0.18 0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 56.68 1hap n GLU 186 Cb 0.91 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1hap n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hap n GLY 186 N -0.88 -0.78 3.63 0.62 0.00 -1.26 -4.87 105.19 101.65 1hap n GLY 186 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 1hap n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hap s LYS 186 N -6.54 0.35 0.38 1.61 2.20 -1.26 -5.14 119.74 111.33 1hap s LYS 186 Ca 0.38 0.27 0.06 0.00 -0.36 0.00 0.00 55.97 56.31 1hap s LYS 186 Cb -0.16 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1hap s LYS 186 CO 0.90 -0.07 0.21 1.03 -0.36 0.00 0.00 175.35 177.06 1hap s ARG 187 N -0.33 1.86 0.00 4.03 0.52 -1.26 -4.63 118.95 119.14 1hap s ARG 187 Ca 0.04 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.13 1hap s ARG 187 Cb -0.03 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1hap s ARG 187 CO -0.07 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.08 1hap n GLY 188 N -0.78 3.72 0.00 -3.53 0.00 -1.19 -4.85 105.19 98.57 1hap n GLY 188 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1hap n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hap n ASP 189 N 0.00 0.00 -3.06 1.61 2.03 0.79 -4.69 116.55 113.22 1hap n ASP 189 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1hap n ASP 189 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 1hap n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hap n ALA 190 N -0.08 -1.44 -3.78 -1.67 0.00 -1.26 0.17 120.51 112.45 1hap n ALA 190 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 53.44 52.49 1hap n ALA 190 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 1hap n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hap n GLU 192 N -0.51 0.83 0.00 0.00 2.13 -1.26 0.13 120.64 121.95 1hap n GLU 192 Ca -0.06 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1hap n GLU 192 Cb 0.60 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1hap n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hap n GLY 193 N 6.29 2.75 0.20 8.31 0.00 -1.26 -1.96 105.19 119.53 1hap n GLY 193 Ca 0.45 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1hap n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hap h ASP 194 N 2.00 0.57 -0.48 1.61 3.32 -0.61 -3.37 116.42 119.46 1hap h ASP 194 Ca 0.00 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.58 1hap h ASP 194 Cb 0.00 -0.15 0.04 0.00 0.22 0.00 0.00 39.33 39.44 1hap h ASP 194 CO 0.00 0.53 -0.13 -1.20 -1.72 0.00 0.00 179.24 176.72 1hap n SER 195 N -4.67 -0.33 0.00 6.45 7.64 -1.26 -2.20 113.62 119.25 1hap n SER 195 Ca 0.01 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1hap n SER 195 Cb 0.11 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1hap n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hap n GLY 196 N 0.85 1.22 3.57 0.23 0.00 -1.13 -1.43 105.19 108.50 1hap n GLY 196 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1hap n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hap n GLY 197 N -2.00 -0.54 3.78 -0.02 0.00 -0.93 -4.13 105.19 101.35 1hap n GLY 197 Ca 0.00 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1hap n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hap s PRO 198 N -1.87 4.55 -0.41 1.61 0.04 -1.26 -1.56 135.00 136.10 1hap s PRO 198 Ca 0.63 1.35 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1hap s PRO 198 Cb -0.59 -2.77 0.11 0.00 0.04 0.00 0.00 34.50 31.29 1hap s PRO 198 CO 0.57 0.24 0.14 0.12 0.04 0.00 0.00 177.00 178.11 1hap s PHE 199 N -1.62 3.37 0.40 0.56 2.19 -1.17 -3.68 117.98 118.02 1hap s PHE 199 Ca 0.51 -2.97 -0.01 0.00 0.33 0.00 0.00 56.93 54.79 1hap s PHE 199 Cb -0.19 -2.78 -0.03 0.00 -1.31 0.00 0.00 43.02 38.72 1hap s PHE 199 CO 0.24 -0.86 0.63 0.14 1.83 0.00 0.00 175.22 177.19 1hap s VAL 200 N 0.49 4.83 0.04 3.12 -7.23 -0.25 -0.91 120.40 120.49 1hap s VAL 200 Ca 0.13 -0.32 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1hap s VAL 200 Cb -0.22 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 1hap s VAL 200 CO -0.06 -0.58 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.04 1hap s MET 201 N -4.46 0.51 -0.35 4.82 -1.94 -0.30 1.00 119.30 118.58 1hap s MET 201 Ca 0.43 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1hap s MET 201 Cb -0.10 -0.25 0.09 0.00 2.01 0.00 0.00 34.83 36.59 1hap s MET 201 CO 0.38 0.04 0.08 0.21 -0.01 0.00 0.00 175.02 175.72 1hap s LYS 202 N -1.61 1.85 0.21 2.03 2.20 -1.26 0.47 119.74 123.64 1hap s LYS 202 Ca -0.10 -1.73 -0.32 0.00 -0.36 0.00 0.00 55.97 53.46 1hap s LYS 202 Cb -0.10 -3.30 -0.12 0.00 -1.51 0.00 0.00 37.83 32.80 1hap s LYS 202 CO 0.00 -0.90 1.69 0.45 -0.36 0.00 0.00 175.35 176.22 1hap n SER 203 N 4.43 3.85 -2.16 1.43 2.88 0.05 -4.77 113.62 119.33 1hap n SER 203 Ca -0.02 1.08 -0.26 0.00 -1.33 0.00 0.00 58.87 58.34 1hap n SER 203 Cb 0.42 -1.56 0.12 0.00 -0.75 0.00 0.00 64.21 62.44 1hap n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1hap n PRO 204 N 3.64 2.29 -0.12 -1.46 -0.04 -1.26 0.86 135.00 138.90 1hap n PRO 204 Ca 0.15 -2.78 -0.22 0.00 -0.04 0.00 0.00 63.50 60.61 1hap n PRO 204 Cb 0.34 -2.09 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 1hap n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1hap n PHE 204 N -0.80 0.11 -0.45 0.54 3.72 -1.26 -4.76 117.46 114.55 1hap n PHE 204 Ca 0.54 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 1hap n PHE 204 Cb 1.11 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1hap n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1hap n ASN 204 N -3.65 0.00 -0.12 4.37 2.04 -1.22 -5.03 115.26 111.66 1hap n ASN 204 Ca -0.48 -0.35 -0.02 0.00 -0.44 0.00 0.00 54.58 53.30 1hap n ASN 204 Cb 0.95 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 38.19 1hap n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1hap n ASN 205 N 0.00 -3.25 -4.93 0.53 2.85 0.25 -5.00 115.26 105.71 1hap n ASN 205 Ca 0.00 0.04 -0.25 0.00 -0.11 0.00 0.00 54.58 54.26 1hap n ASN 205 Cb 0.09 -0.89 -0.00 0.00 1.24 0.00 0.00 39.78 40.21 1hap n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1hap s ARG 206 N -1.74 3.42 0.02 1.20 0.52 -1.19 -4.87 118.95 116.31 1hap s ARG 206 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1hap s ARG 206 Cb 0.00 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1hap s ARG 206 CO 0.00 -0.04 0.08 -1.58 0.02 0.00 0.00 175.30 173.78 1hap s TRP 207 N -2.50 3.27 -0.03 -0.53 0.52 -1.24 -0.77 118.94 117.66 1hap s TRP 207 Ca 0.44 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.76 1hap s TRP 207 Cb -0.10 -1.71 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 1hap s TRP 207 CO 0.39 0.54 -0.13 0.71 0.02 0.00 0.00 176.95 178.49 1hap s TYR 208 N -1.25 1.30 0.03 -1.98 2.02 1.68 -2.52 117.35 116.62 1hap s TYR 208 Ca 0.25 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 1hap s TYR 208 Cb -0.12 -0.90 -0.05 0.00 -0.40 0.00 0.00 41.96 40.50 1hap s TYR 208 CO 0.16 -0.13 1.14 -1.14 -1.57 0.00 0.00 175.55 174.01 1hap s GLN 209 N 0.13 4.45 -0.06 -0.62 0.74 0.61 -1.15 119.66 123.77 1hap s GLN 209 Ca -0.03 1.66 -0.03 0.00 0.05 0.00 0.00 55.36 57.00 1hap s GLN 209 Cb -0.10 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 1hap s GLN 209 CO 0.01 -0.23 -0.08 -1.33 -0.55 0.00 0.00 175.29 173.11 1hap n MET 210 N 4.11 0.13 -2.96 1.67 2.81 -0.09 -4.13 117.12 118.66 1hap n MET 210 Ca 0.08 0.06 -0.20 0.00 -1.81 0.00 0.00 57.70 55.83 1hap n MET 210 Cb 0.48 -0.73 0.08 0.00 -0.71 0.00 0.00 33.22 32.34 1hap n MET 210 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hap n GLY 211 N 2.63 1.76 3.25 3.03 0.00 -1.10 -0.92 105.19 113.84 1hap n GLY 211 Ca -0.12 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 1hap n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hap s ILE 212 N -2.77 0.05 0.11 -0.61 1.01 -1.20 -3.05 121.20 114.74 1hap s ILE 212 Ca 0.63 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 1hap s ILE 212 Cb -0.05 -0.61 -0.06 0.00 0.01 0.00 0.00 42.46 41.75 1hap s ILE 212 CO 0.41 -0.21 1.14 -0.69 0.00 0.00 0.00 174.94 175.59 1hap s VAL 213 N -1.06 4.02 0.09 2.92 1.01 -0.60 -0.32 120.40 126.46 1hap s VAL 213 Ca -0.11 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1hap s VAL 213 Cb -0.05 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1hap s VAL 213 CO 0.04 0.19 0.00 -0.24 0.00 0.00 0.00 175.10 175.09 1hap n SER 214 N 3.20 0.50 0.00 3.32 2.88 0.20 -2.83 113.62 120.89 1hap n SER 214 Ca 0.06 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1hap n SER 214 Cb 0.47 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1hap n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1hap n TRP 215 N -3.26 0.00 0.00 0.66 4.27 -0.46 -5.00 117.44 113.65 1hap n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1hap n TRP 215 Cb 0.15 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.10 1hap n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1hap n GLY 216 N 0.00 3.44 3.43 -1.67 0.00 -1.26 -1.30 105.19 107.82 1hap n GLY 216 Ca 0.00 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 1hap n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hap s GLU 217 N -2.60 3.12 1.56 1.61 2.02 -1.26 -4.90 118.70 118.24 1hap s GLU 217 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1hap s GLU 217 Cb 0.00 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.06 1hap s GLU 217 CO 0.00 -1.43 0.00 0.41 0.02 0.00 0.00 175.26 174.26 1hap n GLY 219 N 5.22 -0.56 2.67 -1.39 0.00 -1.26 -4.50 105.19 105.38 1hap n GLY 219 Ca -0.06 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 1hap n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hap n ASP 221 N 5.30 -2.43 -4.82 0.00 2.03 -1.26 -4.43 116.55 110.94 1hap n ASP 221 Ca -0.06 -0.28 -0.38 0.00 0.52 0.00 0.00 54.79 54.59 1hap n ASP 221 Cb 0.49 -2.54 -0.06 0.00 -0.72 0.00 0.00 41.12 38.29 1hap n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1hap s ARG 221 N -4.39 4.18 0.20 -0.67 0.52 -1.26 -4.98 118.95 112.54 1hap s ARG 221 Ca 0.04 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 55.66 1hap s ARG 221 Cb -0.01 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 1hap s ARG 221 CO 0.32 0.60 1.39 0.34 0.02 0.00 0.00 175.30 177.98 1hap s ASP 222 N -1.23 6.76 0.00 0.23 -1.08 -1.26 -1.55 116.67 118.54 1hap s ASP 222 Ca 0.31 2.51 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 1hap s ASP 222 Cb -0.19 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 1hap s ASP 222 CO 0.19 -0.64 0.00 0.61 0.52 0.00 0.00 175.17 175.86 1hap n GLY 223 N 2.57 0.78 3.37 2.66 0.00 -1.26 -5.03 105.19 108.28 1hap n GLY 223 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1hap n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hap s LYS 224 N -0.24 1.35 -0.03 1.61 1.02 -0.59 -4.83 119.74 118.03 1hap s LYS 224 Ca 0.00 -1.32 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1hap s LYS 224 Cb 0.00 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1hap s LYS 224 CO 0.00 0.43 0.06 0.71 -0.92 0.00 0.00 175.35 175.63 1hap s TYR 225 N -1.08 -0.05 0.20 3.18 2.02 -1.26 -4.63 117.35 115.72 1hap s TYR 225 Ca 0.13 0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.71 1hap s TYR 225 Cb -0.10 -0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.32 1hap s TYR 225 CO 0.06 -0.06 1.35 0.20 -1.57 0.00 0.00 175.55 175.52 1hap s GLY 226 N 0.42 2.36 -0.31 0.71 0.00 -1.17 -4.66 107.32 104.67 1hap s GLY 226 Ca -0.03 1.15 -0.11 0.00 0.00 0.00 0.00 44.72 45.73 1hap s GLY 226 CO -0.01 2.15 0.20 -1.36 0.00 0.00 0.00 173.10 174.07 1hap s PHE 227 N 0.23 3.21 0.05 1.90 0.40 -0.42 0.92 117.98 124.25 1hap s PHE 227 Ca 0.58 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1hap s PHE 227 Cb -0.38 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 40.75 1hap s PHE 227 CO 0.38 -0.32 0.06 0.66 0.70 0.00 0.00 175.22 176.71 1hap n TYR 228 N 5.06 -2.92 -5.16 0.36 4.01 -0.55 0.58 117.16 118.53 1hap n TYR 228 Ca -0.13 -0.17 -0.32 0.00 -0.16 0.00 0.00 57.90 57.12 1hap n TYR 228 Cb 0.50 -0.04 -0.17 0.00 -0.31 0.00 0.00 39.34 39.32 1hap n TYR 228 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1hap s THR 229 N 0.70 2.02 -1.07 -0.72 2.01 0.56 -3.80 115.64 115.35 1hap s THR 229 Ca 0.05 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 1hap s THR 229 Cb -0.00 -1.75 -0.11 0.00 0.01 0.00 0.00 72.50 70.65 1hap s THR 229 CO 0.03 0.55 2.01 -2.28 -0.69 0.00 0.00 174.62 174.25 1hap s HIS 230 N 0.38 1.70 0.06 4.92 2.46 -0.79 -3.21 115.29 120.82 1hap s HIS 230 Ca -0.18 1.00 -0.15 0.00 0.47 0.00 0.00 55.06 56.21 1hap s HIS 230 Cb -0.18 -3.83 -0.05 0.00 -0.13 0.00 0.00 32.58 28.40 1hap s HIS 230 CO 0.08 -1.24 1.24 0.28 -2.47 0.00 0.00 174.74 172.63 1hap h VAL 231 N 6.65 0.00 0.00 0.89 2.07 -1.32 -2.86 116.25 121.68 1hap h VAL 231 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1hap h VAL 231 Cb 0.97 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1hap h VAL 231 CO 1.16 0.00 0.00 0.33 0.02 0.00 0.00 177.57 179.08 1hap n PHE 232 N -3.91 0.00 -0.27 1.57 7.35 -1.26 -1.14 117.46 119.80 1hap n PHE 232 Ca -0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.88 1hap n PHE 232 Cb 0.15 -0.11 0.32 0.00 0.35 0.00 0.00 39.48 40.19 1hap n PHE 232 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1hap n ARG 233 N -1.41 0.00 -2.17 -4.13 0.00 -1.19 0.25 116.66 108.01 1hap n ARG 233 Ca 0.00 0.42 -0.23 0.00 -0.00 0.00 0.00 57.85 58.04 1hap n ARG 233 Cb 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 32.46 31.50 1hap n ARG 233 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1hap n LEU 234 N -2.72 4.63 0.03 6.15 4.77 -0.29 -4.79 117.00 124.78 1hap n LEU 234 Ca 0.17 -4.73 -0.14 0.00 -0.03 0.00 0.00 56.01 51.28 1hap n LEU 234 Cb 0.78 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1hap n LEU 234 CO 0.17 2.06 -0.39 0.50 -1.33 0.00 0.00 177.39 178.40 1hap h LYS 235 N 2.30 0.15 -0.77 3.23 3.64 0.35 -3.12 116.57 122.35 1hap h LYS 235 Ca 0.32 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1hap h LYS 235 Cb 1.39 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1hap h LYS 235 CO 0.74 0.94 0.28 0.87 -2.27 0.00 0.00 179.45 180.01 1hap h LYS 236 N 0.04 1.17 -0.11 1.90 6.56 -1.87 6.31 116.57 130.58 1hap h LYS 236 Ca -0.25 -0.23 -0.03 0.00 -1.06 0.00 0.00 60.65 59.08 1hap h LYS 236 Cb 1.99 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 33.47 1hap h LYS 236 CO 0.13 0.97 -0.05 2.35 -2.06 0.00 0.00 179.45 180.78 1hap h TRP 237 N 1.13 0.26 -0.76 -1.35 7.01 -1.95 0.52 115.95 120.82 1hap h TRP 237 Ca 0.25 -0.06 0.17 0.00 2.11 0.00 0.00 58.89 61.36 1hap h TRP 237 Cb 0.26 -0.06 -0.13 0.00 -2.10 0.00 0.00 29.16 27.13 1hap h TRP 237 CO 0.02 0.57 0.01 0.82 -2.79 0.00 0.00 178.44 177.07 1hap h ILE 238 N -0.12 0.33 0.00 2.65 2.04 -0.55 0.66 117.51 122.52 1hap h ILE 238 Ca 0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1hap h ILE 238 Cb 0.50 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1hap h ILE 238 CO 0.02 0.02 -0.53 -0.61 0.00 0.00 0.00 178.15 177.04 1hap h GLN 239 N 0.10 0.00 -0.43 2.37 -0.00 1.33 -3.35 115.11 115.13 1hap h GLN 239 Ca 0.42 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 59.13 1hap h GLN 239 Cb 0.74 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.16 1hap h GLN 239 CO -0.67 0.00 0.10 -0.22 0.00 0.00 0.00 178.83 178.04 1hap h LYS 240 N 0.00 0.24 0.11 1.69 3.11 0.25 -2.71 116.57 119.26 1hap h LYS 240 Ca 0.00 -0.01 -0.29 0.00 -2.81 0.00 0.00 60.65 57.54 1hap h LYS 240 Cb 0.76 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1hap h LYS 240 CO 0.00 0.16 -1.40 -0.39 -2.81 0.00 0.00 179.45 175.01 1hap h VAL 241 N 0.24 1.31 -0.40 2.00 -1.51 -1.69 -2.97 116.25 113.23 1hap h VAL 241 Ca 0.21 -2.93 -0.07 0.00 -1.23 0.00 0.00 66.70 62.68 1hap h VAL 241 Cb 0.24 2.82 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 1hap h VAL 241 CO -0.26 0.84 -0.05 0.40 -1.23 0.00 0.00 177.57 177.28 1hap h ILE 242 N 0.06 1.23 -0.65 7.19 1.08 -1.69 0.46 117.51 125.20 1hap h ILE 242 Ca -0.19 -0.99 -0.41 0.00 -0.39 0.00 0.00 64.86 62.88 1hap h ILE 242 Cb 1.98 0.98 -0.19 0.00 -3.07 0.00 0.00 36.82 36.53 1hap h ILE 242 CO 0.17 0.34 0.53 -0.90 -0.69 0.00 0.00 178.15 177.60 1hap n ASP 243 N -4.21 5.87 0.00 1.72 5.75 -1.02 0.11 116.55 124.76 1hap n ASP 243 Ca 0.02 -3.23 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1hap n ASP 243 Cb 0.31 -0.94 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1hap n ASP 243 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hap n GLN 244 N -0.22 0.00 -0.52 0.11 1.13 -0.68 -4.92 117.38 112.29 1hap n GLN 244 Ca 0.40 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.44 1hap n GLN 244 Cb 0.80 -0.27 -0.02 0.00 0.11 0.00 0.00 30.24 30.86 1hap n GLN 244 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1hap n PHE 245 N -0.73 0.00 -2.19 1.08 1.16 0.07 -5.06 117.46 111.78 1hap n PHE 245 Ca 0.00 -0.13 -0.08 0.00 -1.87 0.00 0.00 57.45 55.37 1hap n PHE 245 Cb 0.00 0.29 0.04 0.00 -1.61 0.00 0.00 39.48 38.20 1hap n PHE 245 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1hap n GLY 246 N 0.00 0.42 0.34 4.97 0.00 0.30 -4.91 105.19 106.31 1hap n GLY 246 Ca -0.07 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.16 1hap n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11