#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbd n VAL 2 N 0.00 2.11 -3.48 3.84 0.31 -1.26 -4.79 118.33 115.06 1bbd n VAL 2 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1bbd n VAL 2 Cb 0.00 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 1bbd n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bbd s GLN 3 N -1.72 1.29 -0.13 5.55 -2.07 -0.37 -4.99 119.66 117.22 1bbd s GLN 3 Ca 0.60 -0.51 -0.02 0.00 -1.82 0.00 0.00 55.36 53.61 1bbd s GLN 3 Cb -0.64 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 31.82 1bbd s GLN 3 CO 0.59 -0.57 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.43 1bbd s LEU 4 N -2.74 3.16 0.10 2.60 1.43 -1.26 0.46 118.68 122.42 1bbd s LEU 4 Ca 0.03 -0.12 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 1bbd s LEU 4 Cb -0.02 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1bbd s LEU 4 CO -0.10 0.22 -0.25 -1.10 0.23 0.00 0.00 176.35 175.35 1bbd s GLN 5 N 0.03 1.46 0.37 1.70 -0.21 0.71 -4.47 119.66 119.24 1bbd s GLN 5 Ca -0.01 -1.23 0.04 0.00 0.02 0.00 0.00 55.36 54.19 1bbd s GLN 5 Cb -0.14 -1.81 -0.06 0.00 1.00 0.00 0.00 33.01 32.00 1bbd s GLN 5 CO 0.03 0.44 0.05 -0.65 -2.12 0.00 0.00 175.29 173.04 1bbd s GLN 6 N -1.76 1.79 0.08 2.91 -0.21 -1.26 -0.40 119.66 120.81 1bbd s GLN 6 Ca 0.12 -2.02 -0.32 0.00 0.02 0.00 0.00 55.36 53.16 1bbd s GLN 6 Cb -0.10 -1.09 -0.17 0.00 1.00 0.00 0.00 33.01 32.65 1bbd s GLN 6 CO 0.04 -0.19 1.63 0.77 -2.12 0.00 0.00 175.29 175.42 1bbd h SER 7 N 1.95 -0.81 0.00 5.90 0.02 -1.87 -3.50 113.55 115.24 1bbd h SER 7 Ca -0.41 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1bbd h SER 7 Cb 1.25 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1bbd h SER 7 CO 0.72 -0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1bbd n GLY 8 N -1.47 3.02 2.93 -3.77 0.00 -1.26 -5.05 105.19 99.59 1bbd n GLY 8 Ca -0.12 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1bbd n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbd n ALA 9 N 0.00 -3.14 -2.97 4.61 0.00 -1.26 -4.81 120.51 112.95 1bbd n ALA 9 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1bbd n ALA 9 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 1bbd n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bbd s GLU 10 N -0.99 0.80 -0.11 0.00 0.41 -0.70 -4.01 118.70 114.09 1bbd s GLU 10 Ca 0.50 -0.54 0.03 0.00 -0.41 0.00 0.00 54.97 54.55 1bbd s GLU 10 Cb -0.43 0.34 -0.00 0.00 -1.78 0.00 0.00 34.13 32.27 1bbd s GLU 10 CO 0.61 -0.25 -0.22 -1.17 -0.49 0.00 0.00 175.26 173.74 1bbd s LEU 11 N -2.10 2.20 0.04 1.80 2.96 -1.26 -0.28 118.68 122.04 1bbd s LEU 11 Ca -0.05 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1bbd s LEU 11 Cb -0.01 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1bbd s LEU 11 CO -0.04 0.15 -0.10 0.68 -1.32 0.00 0.00 176.35 175.72 1bbd s VAL 12 N 0.43 0.75 0.41 1.68 -7.23 -0.18 -4.97 120.40 111.29 1bbd s VAL 12 Ca -0.16 -0.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.89 1bbd s VAL 12 Cb -0.17 -0.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.94 1bbd s VAL 12 CO 0.07 -0.18 0.87 0.00 -0.31 0.00 0.00 175.10 175.55 1bbd s ARG 13 N -1.25 4.07 0.62 4.82 3.03 -1.25 -1.24 118.95 127.74 1bbd s ARG 13 Ca -0.04 0.88 -0.19 0.00 2.03 0.00 0.00 55.73 58.41 1bbd s ARG 13 Cb -0.08 -2.27 -0.02 0.00 -1.03 0.00 0.00 34.95 31.54 1bbd s ARG 13 CO 0.01 -0.01 1.30 -2.30 -1.13 0.00 0.00 175.30 173.17 1bbd n PRO 14 N -0.78 1.27 0.00 3.89 -0.02 -1.26 -2.35 135.00 135.74 1bbd n PRO 14 Ca 0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1bbd n PRO 14 Cb 0.54 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1bbd n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bbd n GLY 15 N 0.89 2.85 0.00 -1.23 0.00 0.26 -4.93 105.19 103.03 1bbd n GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1bbd n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbd n ALA 16 N -0.53 0.00 -3.13 4.61 0.00 -0.99 -4.33 120.51 116.14 1bbd n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1bbd n ALA 16 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1bbd n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bbd s SER 17 N -1.00 -0.16 0.11 0.00 1.04 -1.26 -1.35 113.70 111.09 1bbd s SER 17 Ca 0.00 -0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.44 1bbd s SER 17 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 1bbd s SER 17 CO 0.00 -0.52 -0.13 0.54 0.98 0.00 0.00 173.24 174.11 1bbd s VAL 18 N -1.86 1.21 -0.38 5.02 0.11 0.85 -4.91 120.40 120.44 1bbd s VAL 18 Ca -0.10 -1.70 0.00 0.00 -2.93 0.00 0.00 61.98 57.26 1bbd s VAL 18 Cb -0.03 -1.48 0.10 0.00 -1.53 0.00 0.00 36.38 33.44 1bbd s VAL 18 CO 0.01 -0.46 0.13 -0.75 -3.33 0.00 0.00 175.10 170.70 1bbd s LYS 19 N -2.72 1.78 0.37 1.54 2.20 -1.25 0.66 119.74 122.33 1bbd s LYS 19 Ca 0.08 -1.84 -0.06 0.00 -0.36 0.00 0.00 55.97 53.80 1bbd s LYS 19 Cb -0.04 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1bbd s LYS 19 CO 0.02 -1.01 0.66 -0.51 -0.36 0.00 0.00 175.35 174.16 1bbd s LEU 20 N 1.04 3.89 0.05 5.43 1.43 0.59 -4.90 118.68 126.21 1bbd s LEU 20 Ca 0.09 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1bbd s LEU 20 Cb -0.21 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 1bbd s LEU 20 CO -0.06 -0.36 -0.08 -0.94 0.23 0.00 0.00 176.35 175.15 1bbd s SER 21 N -3.52 0.89 -0.24 2.29 1.04 -1.26 -0.74 113.70 112.17 1bbd s SER 21 Ca 0.46 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 56.24 1bbd s SER 21 Cb -0.10 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.15 1bbd s SER 21 CO 0.35 -0.24 0.16 0.00 0.98 0.00 0.00 173.24 174.49 1bbd s THR 23 N 2.19 5.09 0.52 0.00 2.01 0.46 -1.38 115.64 124.53 1bbd s THR 23 Ca 0.07 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 1bbd s THR 23 Cb -0.16 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 1bbd s THR 23 CO -0.23 0.44 0.99 0.42 -0.69 0.00 0.00 174.62 175.55 1bbd s THR 24 N -1.16 4.49 -0.22 -0.82 -4.23 -0.90 -0.21 115.64 112.60 1bbd s THR 24 Ca 0.21 1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 61.87 1bbd s THR 24 Cb -0.12 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.09 1bbd s THR 24 CO 0.12 -0.70 0.08 -0.55 -0.54 0.00 0.00 174.62 173.03 1bbd s SER 25 N -3.09 2.96 -0.02 3.99 0.15 0.17 -4.84 113.70 113.02 1bbd s SER 25 Ca 0.59 -0.93 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 1bbd s SER 25 Cb -0.10 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1bbd s SER 25 CO 0.32 -0.36 0.02 0.61 1.20 0.00 0.00 173.24 175.03 1bbd n GLY 26 N 5.16 0.87 3.73 9.45 0.00 -1.26 -1.23 105.19 121.90 1bbd n GLY 26 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.32 1bbd n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bbd n PHE 27 N -2.34 -0.65 -4.56 1.61 1.16 -1.26 -4.68 117.46 106.74 1bbd n PHE 27 Ca -0.00 -0.83 -0.21 0.00 -1.87 0.00 0.00 57.45 54.53 1bbd n PHE 27 Cb 0.50 0.39 -0.15 0.00 -1.61 0.00 0.00 39.48 38.61 1bbd n PHE 27 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1bbd s ASN 28 N -3.57 1.55 0.23 5.98 0.01 -1.26 -4.93 114.94 112.96 1bbd s ASN 28 Ca 0.26 -0.27 -0.09 0.00 -0.71 0.00 0.00 52.86 52.05 1bbd s ASN 28 Cb -0.01 -0.16 0.36 0.00 0.41 0.00 0.00 41.25 41.84 1bbd s ASN 28 CO 0.01 0.14 1.64 -0.29 -1.51 0.00 0.00 177.10 177.10 1bbd h ILE 29 N 4.77 0.38 -0.30 0.60 2.10 -1.90 0.44 117.51 123.60 1bbd h ILE 29 Ca -0.34 -0.03 0.09 0.00 1.08 0.00 0.00 64.86 65.66 1bbd h ILE 29 Cb 1.17 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 1bbd h ILE 29 CO 0.48 0.02 0.38 0.11 -1.08 0.00 0.00 178.15 178.06 1bbd h LYS 30 N 0.09 0.00 0.00 2.19 1.57 -1.93 0.70 116.57 119.19 1bbd h LYS 30 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1bbd h LYS 30 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1bbd h LYS 30 CO -0.63 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.00 1bbd n ASP 31 N -3.60 0.49 -4.35 0.86 8.00 0.15 -4.72 116.55 113.39 1bbd n ASP 31 Ca 0.05 0.60 -0.18 0.00 0.71 0.00 0.00 54.79 55.97 1bbd n ASP 31 Cb 0.52 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 1bbd n ASP 31 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1bbd s ILE 32 N -3.19 1.01 -0.38 0.53 -4.36 0.24 -4.89 121.20 110.17 1bbd s ILE 32 Ca 0.06 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 1bbd s ILE 32 Cb 0.10 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.38 1bbd s ILE 32 CO 0.40 -0.23 0.23 -0.31 0.24 0.00 0.00 174.94 175.27 1bbd s TYR 33 N -3.44 3.24 -0.18 1.37 2.02 -1.26 -4.39 117.35 114.71 1bbd s TYR 33 Ca 0.31 -0.77 -0.24 0.00 -0.37 0.00 0.00 57.07 56.00 1bbd s TYR 33 Cb 0.06 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1bbd s TYR 33 CO 0.10 -0.60 0.77 0.42 -1.57 0.00 0.00 175.55 174.68 1bbd s ILE 34 N 1.61 4.92 0.23 2.71 -1.09 -1.11 -4.19 121.20 124.28 1bbd s ILE 34 Ca 0.03 1.50 0.07 0.00 -2.23 0.00 0.00 60.65 60.02 1bbd s ILE 34 Cb -0.19 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1bbd s ILE 34 CO 0.08 0.04 0.15 -1.00 -1.23 0.00 0.00 174.94 172.99 1bbd s HIS 35 N 2.13 3.06 -0.06 3.97 3.76 0.58 -0.86 115.29 127.88 1bbd s HIS 35 Ca 0.35 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 55.19 1bbd s HIS 35 Cb -0.16 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1bbd s HIS 35 CO 0.11 0.53 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.80 1bbd s TRP 36 N -2.05 1.64 -0.04 1.40 0.52 -0.61 -1.81 118.94 117.98 1bbd s TRP 36 Ca 0.32 -0.55 0.02 0.00 0.02 0.00 0.00 56.10 55.92 1bbd s TRP 36 Cb -0.08 -1.14 0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1bbd s TRP 36 CO 0.24 -0.23 -0.10 0.08 0.02 0.00 0.00 176.95 176.95 1bbd s VAL 37 N 0.33 0.94 0.09 4.03 1.01 -0.16 -0.47 120.40 126.17 1bbd s VAL 37 Ca -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1bbd s VAL 37 Cb -0.14 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1bbd s VAL 37 CO 0.03 0.30 0.31 -0.75 0.00 0.00 0.00 175.10 174.99 1bbd s LYS 38 N 0.44 3.56 -0.10 2.72 2.20 0.12 0.36 119.74 129.05 1bbd s LYS 38 Ca -0.08 -0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1bbd s LYS 38 Cb -0.12 -2.96 0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1bbd s LYS 38 CO 0.02 0.55 0.09 -1.14 -0.36 0.00 0.00 175.35 174.51 1bbd s GLN 39 N -2.41 -0.00 0.26 4.03 0.74 -0.48 -1.17 119.66 120.63 1bbd s GLN 39 Ca 0.36 0.24 -0.09 0.00 0.05 0.00 0.00 55.36 55.93 1bbd s GLN 39 Cb -0.13 -0.96 -0.07 0.00 1.10 0.00 0.00 33.01 32.96 1bbd s GLN 39 CO 0.24 -0.46 0.57 1.03 -0.55 0.00 0.00 175.29 176.12 1bbd s ARG 40 N 2.19 3.77 -0.25 1.67 0.52 -1.26 -1.25 118.95 124.34 1bbd s ARG 40 Ca 0.04 0.24 -0.35 0.00 -0.52 0.00 0.00 55.73 55.14 1bbd s ARG 40 Cb -0.14 -2.62 -0.11 0.00 0.52 0.00 0.00 34.95 32.60 1bbd s ARG 40 CO -0.06 0.27 2.05 -0.35 0.02 0.00 0.00 175.30 177.22 1bbd n PRO 41 N -0.40 1.51 0.00 3.54 -0.05 -1.26 0.12 135.00 138.46 1bbd n PRO 41 Ca 0.00 0.48 0.00 0.00 -0.05 0.00 0.00 63.50 63.93 1bbd n PRO 41 Cb 0.53 -2.56 0.00 0.00 -0.05 0.00 0.00 33.50 31.42 1bbd n PRO 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1bbd n GLU 42 N 7.46 0.00 -1.74 0.54 1.02 -1.26 -4.97 120.64 121.70 1bbd n GLU 42 Ca 0.33 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.19 1bbd n GLU 42 Cb 0.26 -2.57 0.19 0.00 -0.02 0.00 0.00 31.44 29.30 1bbd n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bbd n GLN 43 N -1.95 -1.26 -1.69 3.49 6.02 0.33 -5.10 117.38 117.22 1bbd n GLN 43 Ca 0.00 -1.90 -0.07 0.00 -0.01 0.00 0.00 57.00 55.02 1bbd n GLN 43 Cb 0.00 -1.28 0.03 0.00 1.02 0.00 0.00 30.24 30.01 1bbd n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bbd n GLY 44 N -3.10 1.79 3.74 1.08 0.00 -1.26 -4.57 105.19 102.86 1bbd n GLY 44 Ca 0.15 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1bbd n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bbd s LEU 45 N 0.00 4.46 -0.16 0.99 1.43 -1.26 -4.11 118.68 120.03 1bbd s LEU 45 Ca 0.23 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1bbd s LEU 45 Cb -0.02 -3.31 0.03 0.00 0.03 0.00 0.00 46.19 42.92 1bbd s LEU 45 CO 0.15 0.00 -0.13 -1.61 0.23 0.00 0.00 176.35 174.99 1bbd s GLU 46 N -0.06 2.20 0.22 1.70 2.02 -0.32 -5.01 118.70 119.45 1bbd s GLU 46 Ca 0.40 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.46 1bbd s GLU 46 Cb -0.21 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.74 1bbd s GLU 46 CO 0.25 -0.29 1.60 -0.46 0.02 0.00 0.00 175.26 176.38 1bbd s TRP 47 N 1.47 2.95 -0.22 1.61 -0.00 -1.26 -0.70 118.94 122.79 1bbd s TRP 47 Ca 0.03 0.64 0.02 0.00 -0.00 0.00 0.00 56.10 56.80 1bbd s TRP 47 Cb -0.14 -4.00 -0.15 0.00 -0.00 0.00 0.00 33.47 29.19 1bbd s TRP 47 CO -0.10 -3.60 -0.19 -0.89 -0.00 0.00 0.00 176.95 172.18 1bbd n ILE 48 N 3.34 1.26 0.00 5.86 5.41 0.38 -4.74 119.36 130.86 1bbd n ILE 48 Ca 0.12 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1bbd n ILE 48 Cb 0.38 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 1bbd n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bbd n GLY 49 N 2.43 0.36 3.05 7.39 0.00 -1.18 -2.26 105.19 114.98 1bbd n GLY 49 Ca -0.39 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 1bbd n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bbd s ARG 50 N -2.00 0.46 0.04 1.61 1.70 0.17 -1.58 118.95 119.35 1bbd s ARG 50 Ca 0.00 -0.75 0.07 0.00 -0.47 0.00 0.00 55.73 54.58 1bbd s ARG 50 Cb 0.00 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 1bbd s ARG 50 CO 0.00 -0.10 -0.19 -1.17 -1.08 0.00 0.00 175.30 172.77 1bbd s LEU 51 N -1.93 2.16 -0.41 -1.89 2.96 -0.04 -1.63 118.68 117.90 1bbd s LEU 51 Ca -0.08 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1bbd s LEU 51 Cb -0.04 -0.88 0.11 0.00 0.50 0.00 0.00 46.19 45.88 1bbd s LEU 51 CO -0.04 0.13 0.21 -0.62 -1.32 0.00 0.00 176.35 174.71 1bbd s ASP 52 N -1.14 5.30 0.50 3.68 -1.08 -0.84 -2.73 116.67 120.35 1bbd s ASP 52 Ca 0.06 -1.97 0.26 0.00 -0.52 0.00 0.00 52.55 50.38 1bbd s ASP 52 Cb -0.08 -1.85 1.32 0.00 -1.46 0.00 0.00 42.92 40.85 1bbd s ASP 52 CO 0.02 -0.55 2.02 1.55 0.52 0.00 0.00 175.17 178.73 1bbd h PRO 53 N 8.10 0.00 0.39 4.34 0.14 -1.88 0.19 132.00 143.27 1bbd h PRO 53 Ca -0.14 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 65.98 1bbd h PRO 53 Cb 1.05 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.17 1bbd h PRO 53 CO 0.71 0.15 -0.39 0.00 0.14 0.00 0.00 178.00 178.61 1bbd h ALA 54 N 1.85 -1.06 0.00 -0.56 0.00 -1.89 -3.33 119.26 114.26 1bbd h ALA 54 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1bbd h ALA 54 Cb 0.42 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1bbd h ALA 54 CO 0.02 -1.09 -1.30 0.09 0.00 0.00 0.00 179.25 176.97 1bbd n ASN 55 N -4.77 0.68 0.00 0.00 3.02 -1.22 -5.00 115.26 107.97 1bbd n ASN 55 Ca -0.09 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1bbd n ASN 55 Cb 0.36 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 1bbd n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bbd n GLY 56 N 1.26 0.53 3.76 7.41 0.00 0.67 -5.04 105.19 113.78 1bbd n GLY 56 Ca -0.04 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 1bbd n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bbd s TYR 57 N -2.00 3.70 0.14 1.61 1.51 -1.22 -4.89 117.35 116.20 1bbd s TYR 57 Ca 0.00 1.27 0.10 0.00 -1.01 0.00 0.00 57.07 57.42 1bbd s TYR 57 Cb 0.00 -2.65 -0.04 0.00 -0.11 0.00 0.00 41.96 39.16 1bbd s TYR 57 CO 0.00 0.34 -0.23 0.95 -1.11 0.00 0.00 175.55 175.51 1bbd s THR 58 N -0.20 2.00 -0.02 -0.71 -4.23 -1.26 -1.98 115.64 109.24 1bbd s THR 58 Ca 0.33 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1bbd s THR 58 Cb -0.19 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 71.83 1bbd s THR 58 CO 0.19 -0.07 0.04 -0.75 -0.54 0.00 0.00 174.62 173.48 1bbd s LYS 59 N -2.25 0.02 0.37 3.99 2.47 -0.65 -4.98 119.74 118.73 1bbd s LYS 59 Ca 0.13 0.09 0.04 0.00 -1.56 0.00 0.00 55.97 54.66 1bbd s LYS 59 Cb -0.09 -0.05 -0.04 0.00 -1.46 0.00 0.00 37.83 36.20 1bbd s LYS 59 CO 0.06 -0.05 0.12 0.71 0.16 0.00 0.00 175.35 176.35 1bbd s TYR 60 N 0.30 1.79 -0.04 4.03 1.51 -1.26 0.42 117.35 124.10 1bbd s TYR 60 Ca -0.02 -1.22 -0.27 0.00 -1.01 0.00 0.00 57.07 54.55 1bbd s TYR 60 Cb -0.03 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1bbd s TYR 60 CO -0.01 -0.26 0.85 0.34 -1.11 0.00 0.00 175.55 175.36 1bbd s ASP 61 N -3.54 7.17 0.51 2.29 -1.08 -0.96 -4.91 116.67 116.15 1bbd s ASP 61 Ca 0.28 1.42 0.36 0.00 -0.52 0.00 0.00 52.55 54.10 1bbd s ASP 61 Cb 0.04 -2.49 1.51 0.00 -1.46 0.00 0.00 42.92 40.53 1bbd s ASP 61 CO 0.15 -0.21 1.71 -0.65 0.52 0.00 0.00 175.17 176.69 1bbd h PRO 62 N 6.82 0.07 -0.71 4.34 0.11 -1.99 0.13 132.00 140.77 1bbd h PRO 62 Ca -0.40 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.80 1bbd h PRO 62 Cb 1.20 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1bbd h PRO 62 CO 0.76 0.05 0.47 -0.22 -0.21 0.00 0.00 178.00 178.84 1bbd h LYS 63 N 0.07 0.59 -0.02 1.05 3.64 -1.96 -2.82 116.57 117.12 1bbd h LYS 63 Ca 0.71 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1bbd h LYS 63 Cb 2.60 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 34.29 1bbd h LYS 63 CO -0.13 0.39 -0.01 1.19 -2.27 0.00 0.00 179.45 178.63 1bbd n PHE 64 N -4.49 0.00 -0.34 1.91 3.72 0.40 -4.70 117.46 113.97 1bbd n PHE 64 Ca 0.12 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.58 1bbd n PHE 64 Cb 0.33 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.09 1bbd n PHE 64 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1bbd h GLN 65 N 2.79 0.87 -0.00 -1.08 3.07 -1.16 0.84 115.11 120.43 1bbd h GLN 65 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1bbd h GLN 65 Cb 0.60 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1bbd h GLN 65 CO 0.00 0.57 -0.05 0.41 0.09 0.00 0.00 178.83 179.86 1bbd n GLY 66 N -1.34 -1.00 0.01 0.06 0.00 -1.26 -3.98 105.19 97.67 1bbd n GLY 66 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1bbd n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bbd n LYS 67 N -1.00 3.77 -3.98 1.61 4.81 -0.80 -4.89 118.16 117.68 1bbd n LYS 67 Ca 0.17 -0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.27 1bbd n LYS 67 Cb 0.23 -1.03 -0.06 0.00 0.02 0.00 0.00 35.03 34.20 1bbd n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bbd s ALA 68 N -2.02 3.80 -0.18 3.14 0.00 0.23 -1.89 121.76 124.84 1bbd s ALA 68 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1bbd s ALA 68 Cb 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 23.12 21.45 1bbd s ALA 68 CO 0.04 0.72 0.34 0.99 0.00 0.00 0.00 175.76 177.85 1bbd s THR 69 N -1.27 -0.53 -0.10 0.00 2.01 -1.03 -4.79 115.64 109.94 1bbd s THR 69 Ca 0.25 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 1bbd s THR 69 Cb -0.12 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1bbd s THR 69 CO 0.16 0.05 0.15 -0.63 -0.69 0.00 0.00 174.62 173.66 1bbd s ILE 70 N 2.51 5.49 0.05 1.82 1.01 -1.26 -2.45 121.20 128.38 1bbd s ILE 70 Ca 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 1bbd s ILE 70 Cb -0.13 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1bbd s ILE 70 CO -0.11 0.56 0.05 -0.89 0.00 0.00 0.00 174.94 174.54 1bbd s THR 71 N -1.09 0.18 0.04 2.92 2.01 -1.05 -4.95 115.64 113.69 1bbd s THR 71 Ca 0.18 -1.44 -0.03 0.00 0.31 0.00 0.00 61.69 60.71 1bbd s THR 71 Cb -0.12 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1bbd s THR 71 CO 0.07 -0.80 0.03 0.54 -0.69 0.00 0.00 174.62 173.78 1bbd s VAL 72 N -3.43 0.15 -0.54 3.82 0.11 -1.26 -0.47 120.40 118.78 1bbd s VAL 72 Ca 0.02 -1.23 0.06 0.00 -2.93 0.00 0.00 61.98 57.90 1bbd s VAL 72 Cb 0.04 -0.89 0.21 0.00 -1.53 0.00 0.00 36.38 34.21 1bbd s VAL 72 CO -0.08 -0.68 0.53 -0.67 -3.33 0.00 0.00 175.10 170.87 1bbd n ASP 73 N 0.82 1.69 -0.04 3.54 2.03 0.11 -4.95 116.55 119.74 1bbd n ASP 73 Ca -0.19 -2.95 0.23 0.00 0.52 0.00 0.00 54.79 52.40 1bbd n ASP 73 Cb 0.58 -0.66 0.51 0.00 -0.72 0.00 0.00 41.12 40.84 1bbd n ASP 73 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bbd h THR 74 N 3.53 0.10 -0.07 5.18 1.35 -1.96 0.73 112.91 121.78 1bbd h THR 74 Ca 0.17 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.83 1bbd h THR 74 Cb 0.80 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1bbd h THR 74 CO 0.60 0.00 -0.81 0.77 -0.25 0.00 0.00 175.52 175.84 1bbd h SER 75 N 0.00 0.61 -0.55 5.36 4.64 -1.94 -3.07 113.55 118.61 1bbd h SER 75 Ca 0.33 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1bbd h SER 75 Cb 2.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1bbd h SER 75 CO -0.00 1.20 0.00 -1.54 -0.87 0.00 0.00 176.83 175.61 1bbd n SER 76 N -3.84 4.72 -3.98 4.97 3.41 0.23 -4.95 113.62 114.18 1bbd n SER 76 Ca -0.06 -2.61 -0.31 0.00 -0.26 0.00 0.00 58.87 55.63 1bbd n SER 76 Cb 0.75 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1bbd n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bbd n ASN 77 N 0.71 -4.08 -4.12 4.04 5.03 0.04 -4.86 115.26 112.02 1bbd n ASN 77 Ca 0.24 -0.85 -0.27 0.00 0.87 0.00 0.00 54.58 54.58 1bbd n ASN 77 Cb 0.93 -3.59 -0.16 0.00 -1.02 0.00 0.00 39.78 35.94 1bbd n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1bbd s THR 78 N -3.34 1.48 0.31 3.41 2.01 -1.19 -2.11 115.64 116.20 1bbd s THR 78 Ca 0.62 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1bbd s THR 78 Cb -0.32 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1bbd s THR 78 CO 0.86 0.43 0.37 0.00 -0.69 0.00 0.00 174.62 175.58 1bbd s ALA 79 N 0.29 4.00 0.02 7.40 0.00 -0.48 0.06 121.76 133.05 1bbd s ALA 79 Ca -0.10 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1bbd s ALA 79 Cb -0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1bbd s ALA 79 CO 0.04 0.05 -0.04 0.71 0.00 0.00 0.00 175.76 176.52 1bbd s TYR 80 N -2.19 0.31 -0.16 0.00 2.02 0.38 -1.12 117.35 116.59 1bbd s TYR 80 Ca 0.41 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1bbd s TYR 80 Cb -0.08 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1bbd s TYR 80 CO 0.29 -0.13 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.79 1bbd s LEU 81 N -1.15 1.92 -0.26 -1.29 2.96 0.09 -2.52 118.68 118.43 1bbd s LEU 81 Ca -0.11 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1bbd s LEU 81 Cb -0.08 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1bbd s LEU 81 CO -0.01 -0.01 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.70 1bbd s HIS 82 N 1.30 3.09 -0.08 5.38 5.65 -1.03 0.22 115.29 129.83 1bbd s HIS 82 Ca 0.03 -1.45 -0.00 0.00 0.25 0.00 0.00 55.06 53.89 1bbd s HIS 82 Cb -0.13 -2.10 -0.03 0.00 -1.18 0.00 0.00 32.58 29.13 1bbd s HIS 82 CO -0.10 -0.70 -0.05 -0.51 -0.65 0.00 0.00 174.74 172.73 1bbd s LEU 83 N 1.36 3.29 0.24 8.88 1.43 0.21 -2.45 118.68 131.65 1bbd s LEU 83 Ca 0.00 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1bbd s LEU 83 Cb -0.17 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1bbd s LEU 83 CO -0.03 0.36 0.08 -0.94 0.23 0.00 0.00 176.35 176.05 1bbd s SER 84 N -0.80 1.24 -1.33 2.29 1.04 -0.79 -0.10 113.70 115.23 1bbd s SER 84 Ca 0.12 -1.34 -0.04 0.00 0.48 0.00 0.00 55.95 55.17 1bbd s SER 84 Cb -0.11 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 1bbd s SER 84 CO 0.02 -0.69 0.55 -0.24 0.98 0.00 0.00 173.24 173.86 1bbd n SER 85 N -0.43 -1.42 -4.76 7.02 2.88 -1.08 -4.85 113.62 110.98 1bbd n SER 85 Ca -0.01 -0.96 -0.38 0.00 -1.33 0.00 0.00 58.87 56.18 1bbd n SER 85 Cb 0.66 -3.37 0.02 0.00 -0.75 0.00 0.00 64.21 60.77 1bbd n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1bbd s LEU 86 N -6.80 3.99 0.36 2.46 1.43 -0.45 -4.67 118.68 115.00 1bbd s LEU 86 Ca 0.09 2.67 0.04 0.00 -1.03 0.00 0.00 54.13 55.90 1bbd s LEU 86 Cb -0.03 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1bbd s LEU 86 CO 0.86 -1.24 0.14 -0.89 0.23 0.00 0.00 176.35 175.46 1bbd s THR 87 N -1.33 0.53 0.19 5.49 2.01 -1.26 0.92 115.64 122.19 1bbd s THR 87 Ca 0.66 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.63 1bbd s THR 87 Cb -0.38 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 1bbd s THR 87 CO 0.46 0.00 1.49 0.77 -0.69 0.00 0.00 174.62 176.66 1bbd h SER 88 N 1.97 0.60 0.63 3.53 4.64 -1.97 -2.14 113.55 120.81 1bbd h SER 88 Ca -0.35 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1bbd h SER 88 Cb 1.26 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1bbd h SER 88 CO 0.55 1.04 0.00 -0.62 -0.87 0.00 0.00 176.83 176.93 1bbd n GLU 89 N -3.94 0.04 -0.31 4.77 4.71 -1.26 -1.99 120.64 122.67 1bbd n GLU 89 Ca -0.03 0.25 0.05 0.00 -0.01 0.00 0.00 57.16 57.41 1bbd n GLU 89 Cb 0.62 -1.58 0.18 0.00 -1.01 0.00 0.00 31.44 29.65 1bbd n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bbd n ASP 90 N -1.66 2.62 -4.58 1.62 8.00 -0.81 -4.80 116.55 116.94 1bbd n ASP 90 Ca 0.04 -2.22 -0.41 0.00 0.71 0.00 0.00 54.79 52.90 1bbd n ASP 90 Cb 0.21 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 1bbd n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bbd s THR 91 N -1.68 4.96 -0.00 -3.53 2.01 -0.84 -4.81 115.64 111.74 1bbd s THR 91 Ca 0.26 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1bbd s THR 91 Cb 0.16 -3.99 0.11 0.00 0.01 0.00 0.00 72.50 68.80 1bbd s THR 91 CO 0.12 -0.18 1.27 0.00 -0.69 0.00 0.00 174.62 175.14 1bbd s ALA 92 N 2.55 -2.24 -0.25 7.40 0.00 -1.08 -4.58 121.76 123.57 1bbd s ALA 92 Ca 0.23 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.50 1bbd s ALA 92 Cb -0.15 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1bbd s ALA 92 CO 0.13 -1.08 0.48 0.08 0.00 0.00 0.00 175.76 175.37 1bbd s VAL 93 N -2.35 5.11 -0.30 0.00 1.01 -0.38 -1.18 120.40 122.31 1bbd s VAL 93 Ca 0.18 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.82 1bbd s VAL 93 Cb 0.03 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1bbd s VAL 93 CO -0.03 0.13 0.36 -0.31 0.00 0.00 0.00 175.10 175.26 1bbd s TYR 94 N 2.03 3.22 0.34 5.22 1.51 -0.11 -1.38 117.35 128.20 1bbd s TYR 94 Ca 0.20 0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.54 1bbd s TYR 94 Cb -0.15 -2.62 -0.01 0.00 -0.11 0.00 0.00 41.96 39.06 1bbd s TYR 94 CO 0.09 -0.32 0.42 0.71 -1.11 0.00 0.00 175.55 175.34 1bbd s TYR 95 N 2.05 3.03 -0.01 2.71 1.51 0.16 -2.74 117.35 124.06 1bbd s TYR 95 Ca 0.13 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 1bbd s TYR 95 Cb -0.16 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1bbd s TYR 95 CO 0.11 0.02 -0.10 0.00 -1.11 0.00 0.00 175.55 174.47 1bbd s ASP 97 N -0.16 -0.20 -0.27 0.00 -4.77 -0.75 -0.44 116.67 110.09 1bbd s ASP 97 Ca 0.03 -0.38 -0.25 0.00 -3.30 0.00 0.00 52.55 48.64 1bbd s ASP 97 Cb -0.05 0.47 0.09 0.00 -1.09 0.00 0.00 42.92 42.35 1bbd s ASP 97 CO -0.00 -0.87 0.86 -0.83 0.70 0.00 0.00 175.17 175.03 1bbd s GLY 98 N -2.82 -0.37 0.13 2.12 0.00 -0.62 -0.30 107.32 105.46 1bbd s GLY 98 Ca 0.04 2.30 -0.30 0.00 0.00 0.00 0.00 44.72 46.76 1bbd s GLY 98 CO -0.10 1.76 0.97 -0.47 0.00 0.00 0.00 173.10 175.25 1bbd s TYR 99 N 0.25 3.82 -0.31 1.90 5.04 -1.26 -1.44 117.35 125.35 1bbd s TYR 99 Ca 0.01 1.80 -0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1bbd s TYR 99 Cb -0.05 -3.06 0.10 0.00 0.35 0.00 0.00 41.96 39.30 1bbd s TYR 99 CO -0.02 0.18 0.10 -0.47 -1.34 0.00 0.00 175.55 173.99 1bbd s TYR 100 N -0.19 1.81 0.13 4.97 5.04 -0.75 -4.50 117.35 123.85 1bbd s TYR 100 Ca 0.46 -1.80 -0.20 0.00 -2.44 0.00 0.00 57.07 53.09 1bbd s TYR 100 Cb -0.24 -1.77 0.00 0.00 0.35 0.00 0.00 41.96 40.30 1bbd s TYR 100 CO 0.31 -0.88 1.13 0.43 -1.34 0.00 0.00 175.55 175.19 1bbd n SER 101 N 4.82 -0.70 -0.34 4.32 7.64 -1.26 -0.53 113.62 127.56 1bbd n SER 101 Ca -0.02 1.29 0.18 0.00 1.01 0.00 0.00 58.87 61.34 1bbd n SER 101 Cb 0.42 -0.20 0.40 0.00 -1.01 0.00 0.00 64.21 63.82 1bbd n SER 101 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1bbd h TYR 102 N 0.00 0.99 -0.01 1.43 3.20 -1.96 -0.15 116.97 120.47 1bbd h TYR 102 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1bbd h TYR 102 Cb 0.33 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1bbd h TYR 102 CO -0.73 0.06 -0.57 0.66 -1.64 0.00 0.00 178.16 175.94 1bbd n TYR 103 N -4.87 0.00 -3.60 -3.82 4.01 0.31 -4.95 117.16 104.23 1bbd n TYR 103 Ca 0.27 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.73 1bbd n TYR 103 Cb 0.76 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.84 1bbd n TYR 103 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1bbd n ASP 104 N -0.67 -5.61 -3.64 7.72 2.03 0.05 -4.98 116.55 111.45 1bbd n ASP 104 Ca 0.06 -0.94 -0.06 0.00 0.52 0.00 0.00 54.79 54.37 1bbd n ASP 104 Cb 0.33 -3.64 -0.07 0.00 -0.72 0.00 0.00 41.12 37.02 1bbd n ASP 104 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1bbd s MET 105 N -5.61 0.66 -0.56 -0.67 1.75 -1.17 -5.02 119.30 108.68 1bbd s MET 105 Ca 0.44 1.15 -0.26 0.00 -1.25 0.00 0.00 55.69 55.77 1bbd s MET 105 Cb -0.14 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.71 1bbd s MET 105 CO 0.84 -0.14 1.04 0.34 -0.65 0.00 0.00 175.02 176.46 1bbd s ASP 106 N 1.62 6.38 -0.08 1.11 -1.08 -1.26 -1.81 116.67 121.55 1bbd s ASP 106 Ca -0.10 -0.17 -0.23 0.00 -0.52 0.00 0.00 52.55 51.53 1bbd s ASP 106 Cb -0.05 -2.48 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1bbd s ASP 106 CO -0.19 -1.33 0.68 -0.31 0.52 0.00 0.00 175.17 174.54 1bbd s TYR 107 N 4.36 3.55 -0.05 -5.34 2.02 -0.52 -4.85 117.35 116.53 1bbd s TYR 107 Ca 0.35 1.20 0.01 0.00 -0.37 0.00 0.00 57.07 58.26 1bbd s TYR 107 Cb -0.10 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.63 1bbd s TYR 107 CO 0.22 0.06 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.65 1bbd s TRP 108 N 0.92 3.03 0.87 2.71 0.52 -1.26 -1.59 118.94 124.12 1bbd s TRP 108 Ca 0.36 0.08 -0.13 0.00 0.02 0.00 0.00 56.10 56.43 1bbd s TRP 108 Cb -0.17 -1.71 0.12 0.00 -1.15 0.00 0.00 33.47 30.55 1bbd s TRP 108 CO 0.17 0.41 1.20 0.20 0.02 0.00 0.00 176.95 178.94 1bbd s GLY 109 N -1.08 1.62 0.00 0.98 0.00 0.42 -4.65 107.32 104.61 1bbd s GLY 109 Ca 0.15 -0.74 0.20 0.00 0.00 0.00 0.00 44.72 44.32 1bbd s GLY 109 CO 0.04 -0.18 1.58 -1.55 0.00 0.00 0.00 173.10 173.00 1bbd n PRO 110 N -3.51 0.48 -0.07 2.90 -0.04 -1.26 -4.77 135.00 128.73 1bbd n PRO 110 Ca 0.09 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1bbd n PRO 110 Cb 0.60 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1bbd n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bbd n GLY 111 N 0.28 -2.75 2.93 0.55 0.00 -1.26 -4.99 105.19 99.96 1bbd n GLY 111 Ca 0.13 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1bbd n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbd s THR 112 N -3.54 1.37 -0.23 2.61 2.01 -1.11 -4.69 115.64 112.07 1bbd s THR 112 Ca 0.00 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 1bbd s THR 112 Cb 0.00 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 1bbd s THR 112 CO 0.00 0.09 0.86 -0.55 -0.69 0.00 0.00 174.62 174.33 1bbd s SER 113 N 1.51 6.89 -0.19 3.53 0.15 -1.26 -0.93 113.70 123.39 1bbd s SER 113 Ca -0.01 1.10 -0.04 0.00 0.70 0.00 0.00 55.95 57.70 1bbd s SER 113 Cb -0.16 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1bbd s SER 113 CO -0.08 -0.51 -0.04 -0.69 1.20 0.00 0.00 173.24 173.12 1bbd s VAL 114 N 2.76 3.60 -0.17 4.45 1.01 -0.33 -1.72 120.40 130.00 1bbd s VAL 114 Ca 0.37 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1bbd s VAL 114 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1bbd s VAL 114 CO 0.08 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.63 1bbd s THR 115 N 1.01 3.03 -0.34 3.92 2.01 0.62 -2.62 115.64 123.27 1bbd s THR 115 Ca 0.01 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1bbd s THR 115 Cb -0.15 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1bbd s THR 115 CO 0.01 0.49 0.23 -0.69 -0.69 0.00 0.00 174.62 173.97 1bbd s VAL 116 N 0.90 5.20 -0.08 3.82 1.01 -1.26 -1.01 120.40 128.98 1bbd s VAL 116 Ca -0.03 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 1bbd s VAL 116 Cb -0.15 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.66 1bbd s VAL 116 CO -0.00 -0.02 1.00 -0.55 0.00 0.00 0.00 175.10 175.52 1bbd s SER 117 N 1.71 -0.29 0.00 3.32 0.15 -0.38 -4.81 113.70 113.39 1bbd s SER 117 Ca 0.06 0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.98 1bbd s SER 117 Cb -0.17 0.30 0.31 0.00 -1.71 0.00 0.00 66.02 64.74 1bbd s SER 117 CO 0.10 -0.48 1.33 -1.54 1.20 0.00 0.00 173.24 173.85 1bbd n SER 118 N -0.11 3.07 -3.89 5.45 3.41 -1.26 -3.86 113.62 116.43 1bbd n SER 118 Ca -0.06 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.28 1bbd n SER 118 Cb 0.60 -0.08 0.26 0.00 -0.26 0.00 0.00 64.21 64.73 1bbd n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bbd s ALA 119 N -1.84 -0.11 0.27 7.33 0.00 -1.26 -5.03 121.76 121.13 1bbd s ALA 119 Ca 0.32 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1bbd s ALA 119 Cb 0.21 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1bbd s ALA 119 CO 0.31 -3.97 0.28 0.15 0.00 0.00 0.00 175.76 172.53 1bbd s LYS 120 N -5.05 3.02 -0.00 0.00 -0.14 -1.26 -5.06 119.74 111.24 1bbd s LYS 120 Ca 0.69 -1.03 -0.22 0.00 -1.36 0.00 0.00 55.97 54.05 1bbd s LYS 120 Cb -0.15 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.31 1bbd s LYS 120 CO 0.59 0.32 0.65 -0.08 -0.76 0.00 0.00 175.35 176.06 1bbd s THR 121 N -2.14 4.89 -0.05 2.17 -1.32 -1.26 -4.77 115.64 113.16 1bbd s THR 121 Ca 0.36 1.36 0.01 0.00 -1.21 0.00 0.00 61.69 62.21 1bbd s THR 121 Cb -0.08 -3.99 0.02 0.00 -1.51 0.00 0.00 72.50 66.94 1bbd s THR 121 CO 0.27 0.38 -0.04 0.42 -2.21 0.00 0.00 174.62 173.44 1bbd s THR 122 N 0.02 0.51 0.51 5.08 -4.23 -0.25 -4.97 115.64 112.31 1bbd s THR 122 Ca 0.34 -0.08 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 1bbd s THR 122 Cb -0.19 -0.56 -0.08 0.00 1.34 0.00 0.00 72.50 73.01 1bbd s THR 122 CO 0.19 0.23 1.01 0.00 -0.54 0.00 0.00 174.62 175.51 1bbd s ALA 123 N 1.13 2.94 0.88 3.99 0.00 -1.26 -1.10 121.76 128.33 1bbd s ALA 123 Ca -0.08 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1bbd s ALA 123 Cb -0.14 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 19.92 1bbd s ALA 123 CO -0.01 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.28 1bbd s PRO 124 N -3.70 1.41 -0.09 0.00 0.04 -1.26 -4.69 135.00 126.70 1bbd s PRO 124 Ca 0.63 0.65 0.01 0.00 0.04 0.00 0.00 61.00 62.33 1bbd s PRO 124 Cb -0.13 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1bbd s PRO 124 CO 0.26 -2.09 -0.13 -1.12 0.04 0.00 0.00 177.00 173.96 1bbd s SER 125 N -3.67 4.08 -0.07 6.66 0.01 -0.87 -4.90 113.70 114.95 1bbd s SER 125 Ca 0.63 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.66 1bbd s SER 125 Cb -0.16 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1bbd s SER 125 CO 0.56 0.26 -0.09 -0.69 0.41 0.00 0.00 173.24 173.68 1bbd s VAL 126 N -0.20 3.50 -0.04 3.43 1.01 -1.26 -0.66 120.40 126.18 1bbd s VAL 126 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1bbd s VAL 126 Cb -0.13 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1bbd s VAL 126 CO 0.03 0.59 -0.10 -0.31 0.00 0.00 0.00 175.10 175.31 1bbd s TYR 127 N -0.72 1.12 0.12 5.22 2.02 0.12 -4.93 117.35 120.30 1bbd s TYR 127 Ca 0.11 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.17 1bbd s TYR 127 Cb -0.11 -0.83 -0.07 0.00 -0.40 0.00 0.00 41.96 40.55 1bbd s TYR 127 CO 0.01 -0.17 1.30 -1.25 -1.57 0.00 0.00 175.55 173.87 1bbd s PRO 128 N 0.45 4.38 -0.82 -1.71 0.04 -1.26 -0.69 135.00 135.39 1bbd s PRO 128 Ca -0.08 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 62.85 1bbd s PRO 128 Cb -0.12 -3.27 0.21 0.00 0.04 0.00 0.00 34.50 31.36 1bbd s PRO 128 CO 0.02 -0.32 0.71 -0.51 0.04 0.00 0.00 177.00 176.94 1bbd s LEU 129 N 0.79 5.87 0.51 -3.56 1.43 -0.68 -4.96 118.68 118.08 1bbd s LEU 129 Ca 0.60 -3.17 -0.15 0.00 -1.03 0.00 0.00 54.13 50.38 1bbd s LEU 129 Cb -0.34 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 1bbd s LEU 129 CO 0.32 -0.35 0.96 0.00 0.23 0.00 0.00 176.35 177.50 1bbd s ALA 130 N -0.55 3.12 1.33 4.21 0.00 -1.26 -3.10 121.76 125.50 1bbd s ALA 130 Ca 0.22 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 1bbd s ALA 130 Cb -0.13 -3.05 0.34 0.00 0.00 0.00 0.00 23.12 20.29 1bbd s ALA 130 CO -0.08 -0.26 0.96 -1.25 0.00 0.00 0.00 175.76 175.14 1bbd s PRO 131 N -4.17 -2.19 -0.09 0.00 0.04 -1.26 -4.96 135.00 122.36 1bbd s PRO 131 Ca 0.57 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 1bbd s PRO 131 Cb -0.10 -1.44 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 1bbd s PRO 131 CO 0.34 -4.46 0.46 0.54 0.04 0.00 0.00 177.00 173.91 1bbd s VAL 132 N -2.32 5.14 0.00 -0.36 0.11 -1.26 -4.64 120.40 117.07 1bbd s VAL 132 Ca 0.69 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 60.66 1bbd s VAL 132 Cb -0.19 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 1bbd s VAL 132 CO 0.61 0.39 0.00 0.00 -3.33 0.00 0.00 175.10 172.77 1bbd n SER 139 N 0.00 0.00 -3.88 0.00 2.88 -1.26 -5.19 113.62 106.17 1bbd n SER 139 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1bbd n SER 139 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1bbd n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bbd s SER 140 N 0.00 0.01 -0.04 -3.46 1.04 -1.26 -0.05 113.70 109.94 1bbd s SER 140 Ca 0.00 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1bbd s SER 140 Cb 0.00 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.25 1bbd s SER 140 CO 0.00 -0.09 0.03 -0.69 0.98 0.00 0.00 173.24 173.47 1bbd s VAL 141 N -0.33 0.09 -0.16 5.02 1.01 -0.73 -4.74 120.40 120.55 1bbd s VAL 141 Ca -0.04 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1bbd s VAL 141 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1bbd s VAL 141 CO -0.00 0.18 0.01 0.28 0.00 0.00 0.00 175.10 175.57 1bbd s THR 142 N 1.66 4.32 0.43 3.92 -1.32 -1.26 -3.52 115.64 119.87 1bbd s THR 142 Ca -0.01 -0.21 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 1bbd s THR 142 Cb -0.13 -2.91 0.05 0.00 -1.51 0.00 0.00 72.50 68.01 1bbd s THR 142 CO -0.03 0.49 0.41 0.18 -2.21 0.00 0.00 174.62 173.47 1bbd n LEU 143 N 3.36 0.00 -3.66 9.08 4.32 -0.78 -4.70 117.00 124.62 1bbd n LEU 143 Ca -0.17 -2.10 -0.02 0.00 -0.02 0.00 0.00 56.01 53.69 1bbd n LEU 143 Cb 0.52 -0.13 -0.01 0.00 -1.62 0.00 0.00 43.42 42.18 1bbd n LEU 143 CO 0.33 -0.56 0.87 -0.83 -1.22 0.00 0.00 177.39 175.99 1bbd s GLY 144 N -3.74 -0.34 0.03 -0.72 0.00 -1.18 -2.21 107.32 99.17 1bbd s GLY 144 Ca 0.31 0.61 0.04 0.00 0.00 0.00 0.00 44.72 45.69 1bbd s GLY 144 CO 0.20 0.15 -0.13 0.00 0.00 0.00 0.00 173.10 173.32 1bbd s LEU 146 N -1.00 2.09 -0.27 0.00 2.96 0.14 -1.54 118.68 121.04 1bbd s LEU 146 Ca 0.01 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 1bbd s LEU 146 Cb -0.07 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.23 1bbd s LEU 146 CO 0.01 0.13 0.00 -0.69 -1.32 0.00 0.00 176.35 174.49 1bbd s VAL 147 N 0.48 3.37 -0.03 1.68 1.01 0.43 0.14 120.40 127.47 1bbd s VAL 147 Ca -0.15 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1bbd s VAL 147 Cb -0.17 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1bbd s VAL 147 CO 0.06 0.14 -0.11 -0.75 0.00 0.00 0.00 175.10 174.44 1bbd s LYS 148 N 1.40 1.24 -0.27 2.72 2.20 0.16 -1.20 119.74 126.00 1bbd s LYS 148 Ca 0.01 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1bbd s LYS 148 Cb -0.17 -1.12 -0.02 0.00 -1.51 0.00 0.00 37.83 35.01 1bbd s LYS 148 CO -0.01 0.14 0.23 0.41 -0.36 0.00 0.00 175.35 175.76 1bbd n GLY 149 N 3.30 0.39 3.33 5.54 0.00 -0.24 -2.05 105.19 115.45 1bbd n GLY 149 Ca -0.19 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1bbd n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bbd s TYR 150 N -3.10 1.59 -0.29 1.61 -0.85 -1.14 -4.42 117.35 110.76 1bbd s TYR 150 Ca 0.11 -0.69 -0.19 0.00 -0.52 0.00 0.00 57.07 55.78 1bbd s TYR 150 Cb -0.01 -0.81 0.14 0.00 0.38 0.00 0.00 41.96 41.66 1bbd s TYR 150 CO 0.19 0.22 1.01 0.12 -1.52 0.00 0.00 175.55 175.57 1bbd s PHE 151 N -3.14 -0.52 0.34 -3.49 5.36 -0.26 -0.81 117.98 115.46 1bbd s PHE 151 Ca 0.22 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.31 1bbd s PHE 151 Cb 0.02 0.35 0.06 0.00 -0.34 0.00 0.00 43.02 43.11 1bbd s PHE 151 CO 0.06 -0.25 0.46 -0.35 -1.46 0.00 0.00 175.22 173.68 1bbd n PRO 152 N 3.17 0.42 -1.87 10.12 -0.04 -1.26 -1.09 135.00 144.45 1bbd n PRO 152 Ca -0.16 -1.39 -0.29 0.00 -0.04 0.00 0.00 63.50 61.61 1bbd n PRO 152 Cb 0.57 -0.27 0.11 0.00 -0.04 0.00 0.00 33.50 33.87 1bbd n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1bbd s GLU 153 N -3.59 1.70 0.64 0.54 0.41 -1.26 -4.81 118.70 112.32 1bbd s GLU 153 Ca 0.32 0.05 0.06 0.00 -0.41 0.00 0.00 54.97 54.99 1bbd s GLU 153 Cb -0.02 -1.93 0.11 0.00 -1.78 0.00 0.00 34.13 30.52 1bbd s GLU 153 CO 0.21 -1.77 0.88 -0.35 -0.49 0.00 0.00 175.26 173.74 1bbd n PRO 154 N -3.42 0.35 -4.25 0.39 -0.04 -1.26 -4.88 135.00 121.89 1bbd n PRO 154 Ca 0.09 -3.01 -0.20 0.00 -0.04 0.00 0.00 63.50 60.34 1bbd n PRO 154 Cb 0.61 -0.39 -0.12 0.00 -0.04 0.00 0.00 33.50 33.56 1bbd n PRO 154 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1bbd s VAL 155 N -2.79 1.47 -0.20 0.52 -7.23 -1.26 -4.36 120.40 106.54 1bbd s VAL 155 Ca 0.63 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 1bbd s VAL 155 Cb -0.04 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1bbd s VAL 155 CO 0.41 -0.25 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.96 1bbd s THR 156 N -1.62 2.92 -0.10 5.32 2.01 0.29 -4.94 115.64 119.53 1bbd s THR 156 Ca 0.07 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.46 1bbd s THR 156 Cb -0.08 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1bbd s THR 156 CO 0.04 0.47 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.98 1bbd s LEU 157 N 1.38 2.06 0.17 4.42 0.20 -1.26 0.16 118.68 125.82 1bbd s LEU 157 Ca 0.05 -0.54 -0.07 0.00 0.69 0.00 0.00 54.13 54.26 1bbd s LEU 157 Cb -0.14 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1bbd s LEU 157 CO -0.06 0.16 0.24 0.42 -0.29 0.00 0.00 176.35 176.82 1bbd s THR 158 N 0.34 0.06 -0.09 3.68 -4.23 -0.18 -5.00 115.64 110.22 1bbd s THR 158 Ca -0.18 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1bbd s THR 158 Cb -0.18 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1bbd s THR 158 CO 0.08 -0.28 -0.20 0.26 -0.54 0.00 0.00 174.62 173.94 1bbd s TRP 159 N -4.01 2.60 -1.49 3.99 0.52 -1.26 -0.50 118.94 118.79 1bbd s TRP 159 Ca 0.21 -0.72 -0.12 0.00 0.02 0.00 0.00 56.10 55.49 1bbd s TRP 159 Cb 0.04 -1.69 0.08 0.00 -1.15 0.00 0.00 33.47 30.74 1bbd s TRP 159 CO 0.02 -0.22 0.83 0.09 0.02 0.00 0.00 176.95 177.69 1bbd n ASN 160 N 3.17 -4.70 -2.54 2.95 3.02 0.63 -1.59 115.26 116.19 1bbd n ASN 160 Ca -0.18 -0.64 -0.09 0.00 -0.03 0.00 0.00 54.58 53.63 1bbd n ASN 160 Cb 0.52 -3.78 -0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1bbd n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1bbd n SER 161 N -2.67 -2.90 0.00 6.41 7.64 -1.26 -1.31 113.62 119.53 1bbd n SER 161 Ca 0.02 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1bbd n SER 161 Cb 0.54 -2.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.23 1bbd n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bbd n GLY 162 N -0.73 1.14 0.00 0.23 0.00 -0.62 -5.02 105.19 100.20 1bbd n GLY 162 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1bbd n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bbd n SER 163 N 0.00 0.00 -4.62 1.61 7.64 -0.42 -4.37 113.62 113.46 1bbd n SER 163 Ca 0.00 0.80 -0.43 0.00 1.01 0.00 0.00 58.87 60.25 1bbd n SER 163 Cb 0.00 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1bbd n SER 163 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1bbd s LEU 164 N -3.32 3.73 0.00 -3.43 2.96 -1.20 -4.65 118.68 112.76 1bbd s LEU 164 Ca 0.00 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 1bbd s LEU 164 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1bbd s LEU 164 CO 0.00 -1.48 0.00 -1.54 -1.32 0.00 0.00 176.35 172.01 1bbd n SER 165 N 9.38 0.00 -4.72 3.68 3.41 -1.26 -4.32 113.62 119.79 1bbd n SER 165 Ca 0.21 -0.39 -0.38 0.00 -0.26 0.00 0.00 58.87 58.06 1bbd n SER 165 Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1bbd n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bbd s SER 166 N 0.00 6.63 -1.01 4.04 0.01 -1.26 -4.10 113.70 118.00 1bbd s SER 166 Ca 0.00 0.74 -0.01 0.00 1.31 0.00 0.00 55.95 57.99 1bbd s SER 166 Cb 0.00 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1bbd s SER 166 CO 0.00 0.01 0.85 0.61 0.41 0.00 0.00 173.24 175.12 1bbd n GLY 167 N 3.33 -0.36 3.42 3.44 0.00 -1.26 -4.66 105.19 109.10 1bbd n GLY 167 Ca -0.08 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1bbd n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bbd s VAL 168 N -3.32 2.65 -0.03 1.61 1.01 -1.26 -0.30 120.40 120.77 1bbd s VAL 168 Ca 0.07 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1bbd s VAL 168 Cb -0.01 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1bbd s VAL 168 CO 0.63 0.47 -0.01 -1.00 0.00 0.00 0.00 175.10 175.20 1bbd s HIS 169 N -0.79 0.33 -0.07 5.22 3.76 0.32 -4.97 115.29 119.10 1bbd s HIS 169 Ca 0.12 -0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1bbd s HIS 169 Cb -0.10 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 1bbd s HIS 169 CO 0.02 -0.12 -0.17 0.99 -0.85 0.00 0.00 174.74 174.61 1bbd s THR 170 N 0.89 2.76 -0.12 1.30 2.01 -1.26 0.14 115.64 121.36 1bbd s THR 170 Ca -0.09 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1bbd s THR 170 Cb -0.12 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1bbd s THR 170 CO -0.01 0.57 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.10 1bbd s PHE 171 N -0.38 3.05 0.25 4.92 0.40 0.54 -4.99 117.98 121.78 1bbd s PHE 171 Ca 0.03 -0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 55.99 1bbd s PHE 171 Cb -0.12 -1.88 -0.16 0.00 0.51 0.00 0.00 43.02 41.37 1bbd s PHE 171 CO 0.02 0.16 0.63 -2.30 0.70 0.00 0.00 175.22 174.43 1bbd n PRO 172 N 2.97 0.42 -2.40 0.24 -0.02 -1.26 -4.48 135.00 130.46 1bbd n PRO 172 Ca -0.18 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 1bbd n PRO 172 Cb 0.53 -1.27 -0.02 0.00 -0.02 0.00 0.00 33.50 32.71 1bbd n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bbd s ALA 173 N -1.09 2.82 0.00 3.55 0.00 -1.26 -4.87 121.76 120.90 1bbd s ALA 173 Ca 0.62 0.60 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1bbd s ALA 173 Cb -0.82 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.01 1bbd s ALA 173 CO 0.58 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.77 1bbd s VAL 174 N -2.04 1.30 0.22 0.00 1.01 -0.85 -4.91 120.40 115.13 1bbd s VAL 174 Ca 0.67 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1bbd s VAL 174 Cb -0.17 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1bbd s VAL 174 CO 0.24 0.30 0.38 -0.22 0.00 0.00 0.00 175.10 175.80 1bbd s LEU 175 N -0.57 4.25 0.00 3.92 2.96 -1.26 -1.59 118.68 126.39 1bbd s LEU 175 Ca 0.06 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1bbd s LEU 175 Cb -0.07 -3.05 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1bbd s LEU 175 CO -0.00 -0.06 0.00 1.67 -1.32 0.00 0.00 176.35 176.64 1bbd n GLN 176 N -0.96 0.00 0.00 1.98 7.27 -0.77 -4.89 117.38 120.01 1bbd n GLN 176 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1bbd n GLN 176 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 1bbd n GLN 176 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1bbd n SER 177 N 0.00 0.00 -2.40 1.69 2.88 -1.26 -4.31 113.62 110.23 1bbd n SER 177 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1bbd n SER 177 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1bbd n SER 177 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1bbd n ASP 178 N 0.00 -2.36 -3.72 -3.46 5.75 -1.26 -5.04 116.55 106.47 1bbd n ASP 178 Ca 0.00 -0.36 -0.14 0.00 -0.01 0.00 0.00 54.79 54.28 1bbd n ASP 178 Cb 0.00 -3.14 -0.08 0.00 -1.03 0.00 0.00 41.12 36.87 1bbd n ASP 178 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1bbd s LEU 179 N -4.46 0.56 0.27 -2.12 1.43 -1.26 -4.95 118.68 108.15 1bbd s LEU 179 Ca 0.03 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1bbd s LEU 179 Cb -0.00 1.48 -0.03 0.00 0.03 0.00 0.00 46.19 47.67 1bbd s LEU 179 CO 0.42 -0.44 0.26 -0.31 0.23 0.00 0.00 176.35 176.51 1bbd s TYR 180 N -1.12 3.12 -0.02 0.29 2.02 0.01 -1.84 117.35 119.80 1bbd s TYR 180 Ca -0.12 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1bbd s TYR 180 Cb -0.04 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1bbd s TYR 180 CO 0.05 0.40 0.08 0.99 -1.57 0.00 0.00 175.55 175.49 1bbd s THR 181 N -2.15 0.02 0.03 -0.71 2.01 -0.62 -1.08 115.64 113.14 1bbd s THR 181 Ca 0.36 -0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.14 1bbd s THR 181 Cb -0.08 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1bbd s THR 181 CO 0.26 -0.08 0.14 -0.22 -0.69 0.00 0.00 174.62 174.03 1bbd s LEU 182 N -0.22 1.62 0.04 4.42 0.20 -0.34 -2.00 118.68 122.40 1bbd s LEU 182 Ca -0.03 -0.43 -0.09 0.00 0.69 0.00 0.00 54.13 54.27 1bbd s LEU 182 Cb -0.02 0.73 0.00 0.00 -0.43 0.00 0.00 46.19 46.47 1bbd s LEU 182 CO 0.00 -0.50 0.19 -0.94 -0.29 0.00 0.00 176.35 174.81 1bbd s SER 183 N -2.00 0.04 0.02 3.68 1.04 -1.26 0.16 113.70 115.39 1bbd s SER 183 Ca -0.07 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1bbd s SER 183 Cb -0.02 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1bbd s SER 183 CO -0.03 -0.57 -0.04 -0.55 0.98 0.00 0.00 173.24 173.03 1bbd s SER 184 N -2.15 0.41 0.32 7.02 0.15 -0.59 -0.34 113.70 118.52 1bbd s SER 184 Ca -0.04 -0.36 0.10 0.00 0.70 0.00 0.00 55.95 56.34 1bbd s SER 184 Cb -0.01 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.28 1bbd s SER 184 CO -0.04 -0.16 -0.11 -0.94 1.20 0.00 0.00 173.24 173.18 1bbd s SER 185 N -1.02 3.55 -0.04 5.45 1.04 0.12 -1.59 113.70 121.20 1bbd s SER 185 Ca -0.09 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 1bbd s SER 185 Cb -0.07 -0.31 0.03 0.00 0.10 0.00 0.00 66.02 65.77 1bbd s SER 185 CO -0.00 -0.17 0.07 0.54 0.98 0.00 0.00 173.24 174.66 1bbd s VAL 186 N -2.65 -0.12 -0.15 5.02 0.11 -0.94 -0.52 120.40 121.15 1bbd s VAL 186 Ca 0.31 0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 59.70 1bbd s VAL 186 Cb 0.01 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1bbd s VAL 186 CO 0.15 0.15 -0.02 0.42 -3.33 0.00 0.00 175.10 172.48 1bbd s THR 187 N 1.95 4.07 0.34 5.04 -4.23 0.59 -1.87 115.64 121.52 1bbd s THR 187 Ca 0.02 -0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.28 1bbd s THR 187 Cb -0.12 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.88 1bbd s THR 187 CO -0.04 0.51 0.03 0.68 -0.54 0.00 0.00 174.62 175.26 1bbd s VAL 188 N 0.15 1.49 0.09 2.29 -7.23 -1.23 -4.69 120.40 111.27 1bbd s VAL 188 Ca -0.00 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 1bbd s VAL 188 Cb -0.13 -2.80 -0.07 0.00 0.56 0.00 0.00 36.38 33.94 1bbd s VAL 188 CO 0.02 -0.05 0.66 0.42 -0.31 0.00 0.00 175.10 175.84 1bbd s THR 189 N -3.08 4.65 -1.12 5.32 -4.23 -1.26 -1.78 115.64 114.13 1bbd s THR 189 Ca 0.35 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.28 1bbd s THR 189 Cb 0.08 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1bbd s THR 189 CO 0.16 0.50 0.77 -0.24 -0.54 0.00 0.00 174.62 175.27 1bbd n SER 190 N 1.97 0.00 0.07 3.99 2.88 0.93 -1.69 113.62 121.76 1bbd n SER 190 Ca -0.07 0.30 -0.22 0.00 -1.33 0.00 0.00 58.87 57.54 1bbd n SER 190 Cb 0.50 -0.30 -0.15 0.00 -0.75 0.00 0.00 64.21 63.52 1bbd n SER 190 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1bbd h SER 191 N 0.00 0.58 -0.87 -3.46 4.64 -1.92 -3.36 113.55 109.16 1bbd h SER 191 Ca 0.00 -0.93 0.22 0.00 -0.47 0.00 0.00 61.79 60.61 1bbd h SER 191 Cb 0.10 -0.19 -0.16 0.00 -0.31 0.00 0.00 62.40 61.85 1bbd h SER 191 CO 0.00 1.55 0.02 0.74 -0.87 0.00 0.00 176.83 178.27 1bbd h THR 192 N -0.18 0.20 -3.66 2.95 2.02 -1.68 -3.32 112.91 109.25 1bbd h THR 192 Ca -0.22 -0.03 -0.68 0.00 0.77 0.00 0.00 66.41 66.26 1bbd h THR 192 Cb 1.85 0.12 -0.29 0.00 -1.74 0.00 0.00 68.15 68.09 1bbd h THR 192 CO 0.17 0.01 -0.82 0.86 0.37 0.00 0.00 175.52 176.11 1bbd s TRP 193 N -6.07 2.63 -0.73 3.16 -0.00 -1.25 0.13 118.94 116.81 1bbd s TRP 193 Ca -0.13 -0.66 -0.03 0.00 -0.00 0.00 0.00 56.10 55.27 1bbd s TRP 193 Cb 0.25 -1.71 0.18 0.00 -0.00 0.00 0.00 33.47 32.20 1bbd s TRP 193 CO 0.77 -0.18 2.41 -0.35 -0.00 0.00 0.00 176.95 179.59 1bbd n PRO 194 N 3.14 3.02 0.01 5.86 -0.05 -1.26 -4.91 135.00 140.81 1bbd n PRO 194 Ca -0.18 -3.05 -0.01 0.00 -0.05 0.00 0.00 63.50 60.20 1bbd n PRO 194 Cb 0.52 -2.27 -0.01 0.00 -0.05 0.00 0.00 33.50 31.70 1bbd n PRO 194 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1bbd h SER 195 N 3.28 -0.07 -3.45 3.54 4.64 -1.05 -3.43 113.55 117.02 1bbd h SER 195 Ca 0.50 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.22 1bbd h SER 195 Cb 0.41 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 62.41 1bbd h SER 195 CO 1.15 0.18 0.12 -1.10 -0.87 0.00 0.00 176.83 176.31 1bbd s GLN 196 N -1.66 4.17 0.41 4.77 -0.21 0.36 -5.05 119.66 122.44 1bbd s GLN 196 Ca -0.01 0.57 -0.26 0.00 0.02 0.00 0.00 55.36 55.67 1bbd s GLN 196 Cb 0.00 -3.60 -0.09 0.00 1.00 0.00 0.00 33.01 30.32 1bbd s GLN 196 CO 0.04 -0.29 1.35 -1.54 -2.12 0.00 0.00 175.29 172.73 1bbd s SER 197 N 1.30 6.26 -0.11 5.90 1.04 -1.26 -4.23 113.70 122.59 1bbd s SER 197 Ca 0.27 2.77 0.02 0.00 0.48 0.00 0.00 55.95 59.49 1bbd s SER 197 Cb -0.16 -2.65 -0.01 0.00 0.10 0.00 0.00 66.02 63.31 1bbd s SER 197 CO 0.10 -0.90 -0.17 -0.63 0.98 0.00 0.00 173.24 172.62 1bbd s ILE 198 N -1.22 2.72 -0.01 -1.02 -1.09 -1.26 -5.00 121.20 114.31 1bbd s ILE 198 Ca 0.57 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1bbd s ILE 198 Cb -0.41 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1bbd s ILE 198 CO 0.53 0.54 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.83 1bbd s THR 199 N 0.20 0.53 -0.23 2.92 2.01 -1.26 -1.81 115.64 118.00 1bbd s THR 199 Ca -0.10 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 1bbd s THR 199 Cb -0.16 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1bbd s THR 199 CO 0.06 0.17 -0.03 0.00 -0.69 0.00 0.00 174.62 174.12 1bbd s ASN 201 N 1.48 5.19 -0.01 0.00 0.02 0.34 0.30 114.94 122.26 1bbd s ASN 201 Ca 0.05 -0.12 0.04 0.00 -1.02 0.00 0.00 52.86 51.81 1bbd s ASN 201 Cb -0.15 -1.91 -0.01 0.00 0.02 0.00 0.00 41.25 39.21 1bbd s ASN 201 CO -0.03 0.06 -0.13 -0.69 0.02 0.00 0.00 177.10 176.33 1bbd s VAL 202 N 1.05 1.01 -0.02 1.60 1.01 0.14 -1.01 120.40 124.17 1bbd s VAL 202 Ca 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1bbd s VAL 202 Cb -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1bbd s VAL 202 CO 0.03 0.28 -0.04 0.00 0.00 0.00 0.00 175.10 175.36 1bbd s ALA 203 N -0.31 0.50 -0.46 5.51 0.00 0.12 0.58 121.76 127.70 1bbd s ALA 203 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1bbd s ALA 203 Cb -0.05 -0.26 0.12 0.00 0.00 0.00 0.00 23.12 22.93 1bbd s ALA 203 CO -0.00 0.03 0.20 -1.58 0.00 0.00 0.00 175.76 174.41 1bbd s HIS 204 N 0.48 3.40 0.18 0.00 2.46 -0.99 0.11 115.29 120.92 1bbd s HIS 204 Ca -0.06 -3.08 -0.15 0.00 0.47 0.00 0.00 55.06 52.25 1bbd s HIS 204 Cb -0.09 -2.89 0.14 0.00 -0.13 0.00 0.00 32.58 29.61 1bbd s HIS 204 CO -0.00 -0.82 1.68 -1.35 -2.47 0.00 0.00 174.74 171.78 1bbd h PRO 205 N 6.93 0.08 0.00 2.88 0.10 -1.84 -2.55 132.00 137.61 1bbd h PRO 205 Ca -0.06 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.03 1bbd h PRO 205 Cb 0.94 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.02 1bbd h PRO 205 CO 0.64 0.05 0.07 0.00 0.10 0.00 0.00 178.00 178.86 1bbd n ALA 206 N -2.64 0.93 -0.37 -0.75 0.00 -1.26 -1.42 120.51 115.00 1bbd n ALA 206 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1bbd n ALA 206 Cb 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1bbd n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bbd n SER 207 N -2.15 0.94 -3.64 0.00 3.41 -0.99 -4.80 113.62 106.38 1bbd n SER 207 Ca -0.01 -1.31 -0.23 0.00 -0.26 0.00 0.00 58.87 57.05 1bbd n SER 207 Cb 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1bbd n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bbd n SER 208 N -0.15 -5.54 -4.06 4.04 7.64 -0.51 -4.98 113.62 110.05 1bbd n SER 208 Ca 0.00 -0.82 -0.13 0.00 1.01 0.00 0.00 58.87 58.93 1bbd n SER 208 Cb 0.22 -2.88 -0.12 0.00 -1.01 0.00 0.00 64.21 60.42 1bbd n SER 208 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bbd s THR 209 N -3.16 0.55 0.01 0.44 2.01 -1.21 -5.06 115.64 109.22 1bbd s THR 209 Ca 0.17 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1bbd s THR 209 Cb -0.07 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1bbd s THR 209 CO 0.86 -0.35 0.07 -0.54 -0.69 0.00 0.00 174.62 173.97 1bbd s LYS 210 N -1.50 0.43 -0.07 4.92 1.02 -1.26 -2.35 119.74 120.92 1bbd s LYS 210 Ca -0.09 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 1bbd s LYS 210 Cb -0.10 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 1bbd s LYS 210 CO 0.00 -0.09 0.19 0.54 -0.92 0.00 0.00 175.35 175.07 1bbd s VAL 211 N -1.56 -0.00 -0.29 3.17 0.11 0.20 -4.99 120.40 117.04 1bbd s VAL 211 Ca -0.14 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 1bbd s VAL 211 Cb -0.08 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1bbd s VAL 211 CO -0.00 0.00 0.08 -1.81 -3.33 0.00 0.00 175.10 170.05 1bbd s ASP 212 N 0.18 5.14 -0.14 3.54 1.11 -1.26 0.24 116.67 125.48 1bbd s ASP 212 Ca -0.01 -0.64 0.01 0.00 0.18 0.00 0.00 52.55 52.09 1bbd s ASP 212 Cb -0.02 -1.89 0.02 0.00 1.07 0.00 0.00 42.92 42.10 1bbd s ASP 212 CO -0.00 -0.17 -0.15 -0.54 1.18 0.00 0.00 175.17 175.48 1bbd s LYS 213 N 1.52 2.31 -0.02 8.23 -0.14 0.15 -4.97 119.74 126.82 1bbd s LYS 213 Ca 0.03 -0.57 -0.21 0.00 -1.36 0.00 0.00 55.97 53.86 1bbd s LYS 213 Cb -0.17 -2.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.87 1bbd s LYS 213 CO 0.03 -0.17 0.62 -1.59 -0.76 0.00 0.00 175.35 173.47 1bbd s LYS 214 N 1.31 4.35 -0.66 1.68 -2.85 -1.26 -1.39 119.74 120.92 1bbd s LYS 214 Ca 0.01 0.76 -0.22 0.00 -1.00 0.00 0.00 55.97 55.52 1bbd s LYS 214 Cb -0.14 -3.37 0.07 0.00 -2.06 0.00 0.00 37.83 32.34 1bbd s LYS 214 CO -0.08 0.29 0.95 0.42 0.10 0.00 0.00 175.35 177.04 1bbd s ILE 215 N 0.06 4.36 0.28 3.79 1.01 -0.75 -4.87 121.20 125.07 1bbd s ILE 215 Ca 0.32 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1bbd s ILE 215 Cb -0.18 -4.68 -0.03 0.00 0.01 0.00 0.00 42.46 37.58 1bbd s ILE 215 CO 0.17 -1.44 0.44 -1.83 0.00 0.00 0.00 174.94 172.28 1bbd s GLU 216 N 3.97 3.47 0.77 2.79 -1.05 -1.26 -4.60 118.70 122.78 1bbd s GLU 216 Ca 0.22 -0.54 -0.13 0.00 -0.15 0.00 0.00 54.97 54.37 1bbd s GLU 216 Cb -0.17 -2.79 0.06 0.00 -0.44 0.00 0.00 34.13 30.79 1bbd s GLU 216 CO 0.10 0.31 1.17 -2.14 0.95 0.00 0.00 175.26 175.64 1bbd s PRO 217 N -4.06 1.94 0.00 -4.83 0.02 -1.26 -4.60 135.00 122.20 1bbd s PRO 217 Ca 0.37 1.61 0.04 0.00 0.02 0.00 0.00 61.00 63.04 1bbd s PRO 217 Cb -0.09 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.63 1bbd s PRO 217 CO 0.32 -1.96 0.62 2.89 -0.33 0.00 0.00 177.00 178.54