#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mls s VAL 2 N 0.00 3.99 -0.02 3.84 1.01 -1.25 -3.52 120.40 124.46 3mls s VAL 2 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 3mls s VAL 2 Cb 0.00 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.66 3mls s VAL 2 CO 0.00 -0.16 0.86 0.00 0.00 0.00 0.00 175.10 175.80 3mls s GLN 3 N 3.85 0.85 -0.23 2.72 -2.07 0.07 -4.99 119.66 119.86 3mls s GLN 3 Ca 0.62 -0.18 0.02 0.00 -1.82 0.00 0.00 55.36 54.01 3mls s GLN 3 Cb -0.25 0.39 0.05 0.00 -1.09 0.00 0.00 33.01 32.11 3mls s GLN 3 CO 0.21 -0.34 -0.14 -0.51 -1.32 0.00 0.00 175.29 173.19 3mls s LEU 4 N -2.11 2.94 -0.20 2.60 1.43 -1.26 -1.43 118.68 120.65 3mls s LEU 4 Ca 0.02 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 51.93 3mls s LEU 4 Cb -0.01 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3mls s LEU 4 CO -0.06 -0.13 0.05 -0.69 0.23 0.00 0.00 176.35 175.76 3mls s VAL 5 N 1.18 4.51 0.19 -1.59 1.01 -0.33 -3.96 120.40 121.42 3mls s VAL 5 Ca -0.04 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3mls s VAL 5 Cb -0.17 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3mls s VAL 5 CO -0.08 0.42 0.13 -1.61 0.00 0.00 0.00 175.10 173.96 3mls s GLU 6 N 0.77 2.81 0.98 2.72 2.02 -1.26 0.52 118.70 127.25 3mls s GLU 6 Ca 0.03 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 53.94 3mls s GLU 6 Cb -0.14 -2.57 0.18 0.00 0.10 0.00 0.00 34.13 31.71 3mls s GLU 6 CO 0.02 0.46 1.10 -1.54 0.02 0.00 0.00 175.26 175.31 3mls s SER 7 N -3.28 2.51 0.53 -0.19 1.04 -0.66 -4.96 113.70 108.69 3mls s SER 7 Ca 0.31 1.86 -0.17 0.00 0.48 0.00 0.00 55.95 58.43 3mls s SER 7 Cb -0.09 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 3mls s SER 7 CO 0.23 -3.30 1.01 -0.83 0.98 0.00 0.00 173.24 171.32 3mls s GLY 8 N -2.78 2.15 0.76 7.32 0.00 -1.26 -4.57 107.32 108.94 3mls s GLY 8 Ca 0.66 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 45.53 3mls s GLY 8 CO 0.60 0.59 1.02 0.61 0.00 0.00 0.00 173.10 175.92 3mls n GLY 9 N -1.21 -0.36 3.17 0.20 0.00 -1.26 -4.84 105.19 100.89 3mls n GLY 9 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 3mls n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mls s GLU 10 N -3.60 0.73 -0.23 1.61 2.02 -0.73 -4.96 118.70 113.53 3mls s GLU 10 Ca 0.73 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 3mls s GLU 10 Cb -0.32 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.22 3mls s GLU 10 CO 0.51 -0.21 -0.09 0.08 0.02 0.00 0.00 175.26 175.57 3mls s VAL 11 N -3.36 2.68 0.23 2.63 1.01 -1.26 -2.36 120.40 119.97 3mls s VAL 11 Ca 0.01 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.08 3mls s VAL 11 Cb 0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3mls s VAL 11 CO -0.08 0.27 -0.07 -0.54 0.00 0.00 0.00 175.10 174.68 3mls s LYS 12 N 1.31 2.11 0.26 2.72 -0.14 -0.62 -4.94 119.74 120.44 3mls s LYS 12 Ca 0.01 -1.41 0.01 0.00 -1.36 0.00 0.00 55.97 53.22 3mls s LYS 12 Cb -0.16 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 3mls s LYS 12 CO -0.06 0.39 0.45 -0.65 -0.76 0.00 0.00 175.35 174.71 3mls s GLN 13 N -3.31 3.49 0.27 1.68 -0.21 -1.24 0.12 119.66 120.46 3mls s GLN 13 Ca 0.28 -0.42 -0.31 0.00 0.02 0.00 0.00 55.36 54.94 3mls s GLN 13 Cb -0.07 -2.78 -0.12 0.00 1.00 0.00 0.00 33.01 31.04 3mls s GLN 13 CO 0.17 0.31 1.65 -2.30 -2.12 0.00 0.00 175.29 173.00 3mls n PRO 14 N -1.23 2.75 0.00 2.91 -0.02 -1.26 -2.41 135.00 135.74 3mls n PRO 14 Ca -0.06 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3mls n PRO 14 Cb 0.55 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3mls n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mls n GLY 15 N 2.75 1.56 3.84 -1.23 0.00 0.21 -4.88 105.19 107.44 3mls n GLY 15 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3mls n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mls s GLN 16 N -0.86 4.06 0.49 1.61 -0.21 -1.01 -4.19 119.66 119.54 3mls s GLN 16 Ca 0.00 0.99 -0.11 0.00 0.02 0.00 0.00 55.36 56.26 3mls s GLN 16 Cb 0.00 -2.18 -0.06 0.00 1.00 0.00 0.00 33.01 31.78 3mls s GLN 16 CO 0.00 -0.15 0.88 -1.54 -2.12 0.00 0.00 175.29 172.37 3mls s SER 17 N -2.69 6.43 -0.04 5.90 1.04 -1.26 -1.27 113.70 121.82 3mls s SER 17 Ca 0.60 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 58.21 3mls s SER 17 Cb -0.10 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.65 3mls s SER 17 CO 0.23 -0.58 0.19 -0.22 0.98 0.00 0.00 173.24 173.84 3mls s LEU 18 N -4.36 1.31 -0.04 2.42 2.96 -0.97 -4.97 118.68 115.04 3mls s LEU 18 Ca 0.53 0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 3mls s LEU 18 Cb -0.10 0.77 0.03 0.00 0.50 0.00 0.00 46.19 47.38 3mls s LEU 18 CO 0.39 -0.25 0.06 -0.75 -1.32 0.00 0.00 176.35 174.48 3mls s LYS 19 N -0.71 -0.06 0.18 1.98 2.20 -1.26 -0.39 119.74 121.68 3mls s LYS 19 Ca -0.08 0.34 0.11 0.00 -0.36 0.00 0.00 55.97 55.98 3mls s LYS 19 Cb -0.05 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 3mls s LYS 19 CO 0.01 -0.29 -0.22 0.96 -0.36 0.00 0.00 175.35 175.45 3mls s ILE 20 N 1.90 2.47 0.23 5.43 -4.36 -0.34 -4.98 121.20 121.55 3mls s ILE 20 Ca 0.01 -1.93 0.07 0.00 -0.26 0.00 0.00 60.65 58.54 3mls s ILE 20 Cb -0.12 -2.17 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 3mls s ILE 20 CO -0.03 -0.08 -0.09 -0.94 0.24 0.00 0.00 174.94 174.04 3mls s SER 21 N -2.58 2.51 -0.15 4.36 1.04 -1.26 -1.56 113.70 116.06 3mls s SER 21 Ca 0.20 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 3mls s SER 21 Cb -0.08 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 65.97 3mls s SER 21 CO 0.10 -0.28 0.07 0.00 0.98 0.00 0.00 173.24 174.11 3mls s LYS 23 N 2.09 4.18 0.27 0.00 2.47 0.18 -0.74 119.74 128.19 3mls s LYS 23 Ca 0.02 0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 54.78 3mls s LYS 23 Cb -0.15 -3.58 -0.08 0.00 -1.46 0.00 0.00 37.83 32.56 3mls s LYS 23 CO -0.08 -0.20 0.62 0.45 0.16 0.00 0.00 175.35 176.30 3mls s SER 24 N 1.22 6.66 -0.23 1.43 0.15 -0.06 -1.19 113.70 121.68 3mls s SER 24 Ca 0.25 1.04 -0.18 0.00 0.70 0.00 0.00 55.95 57.75 3mls s SER 24 Cb -0.16 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 3mls s SER 24 CO 0.10 -0.14 0.61 -0.55 1.20 0.00 0.00 173.24 174.46 3mls s SER 25 N -2.40 -0.70 0.00 5.45 0.15 -0.52 -4.90 113.70 110.79 3mls s SER 25 Ca 0.50 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.41 3mls s SER 25 Cb -0.11 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 3mls s SER 25 CO 0.21 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3mls n GLY 26 N 3.32 0.81 3.79 9.45 0.00 -1.23 -0.75 105.19 120.59 3mls n GLY 26 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 3mls n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mls s TYR 27 N -2.06 -0.05 -0.59 1.61 -0.85 -1.26 -4.47 117.35 109.68 3mls s TYR 27 Ca 0.00 -0.29 -0.27 0.00 -0.52 0.00 0.00 57.07 55.99 3mls s TYR 27 Cb 0.00 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.00 3mls s TYR 27 CO 0.00 -0.83 1.56 1.21 -1.52 0.00 0.00 175.55 175.97 3mls s ASN 28 N -3.11 5.84 0.22 -0.18 2.47 -1.26 -4.85 114.94 114.06 3mls s ASN 28 Ca 0.16 0.24 -0.09 0.00 0.42 0.00 0.00 52.86 53.59 3mls s ASN 28 Cb -0.01 -2.54 0.32 0.00 -1.45 0.00 0.00 41.25 37.57 3mls s ASN 28 CO 0.03 -1.95 1.71 0.15 -3.72 0.00 0.00 177.10 173.32 3mls h PHE 29 N 12.28 0.27 -0.81 0.43 3.57 -1.96 -2.95 116.94 127.77 3mls h PHE 29 Ca -0.27 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.34 3mls h PHE 29 Cb 1.11 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 3mls h PHE 29 CO 1.05 -0.00 0.53 -0.07 -2.23 0.00 0.00 178.31 177.58 3mls h LEU 30 N 0.30 0.74 -0.51 0.59 4.07 -1.93 -3.20 115.31 115.37 3mls h LEU 30 Ca 0.33 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.30 3mls h LEU 30 Cb 0.49 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.08 3mls h LEU 30 CO -0.40 0.46 0.00 0.47 -1.08 0.00 0.00 178.44 177.90 3mls n ASP 31 N -4.49 0.78 -4.15 -0.43 10.43 -1.11 -2.39 116.55 115.18 3mls n ASP 31 Ca 0.13 -1.33 -0.26 0.00 2.57 0.00 0.00 54.79 55.89 3mls n ASP 31 Cb 0.26 -0.01 -0.16 0.00 1.84 0.00 0.00 41.12 43.04 3mls n ASP 31 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3mls s SER 32 N -1.90 2.23 0.42 -2.24 0.01 -1.21 -5.07 113.70 105.94 3mls s SER 32 Ca 0.40 -0.36 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 3mls s SER 32 Cb 0.20 -0.57 -0.09 0.00 0.21 0.00 0.00 66.02 65.77 3mls s SER 32 CO 0.33 0.17 1.40 0.26 0.41 0.00 0.00 173.24 175.81 3mls s TRP 33 N -0.04 2.60 -0.26 2.43 0.52 -1.26 -4.47 118.94 118.47 3mls s TRP 33 Ca -0.02 1.29 -0.05 0.00 0.02 0.00 0.00 56.10 57.33 3mls s TRP 33 Cb -0.11 -3.87 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 3mls s TRP 33 CO 0.02 -2.69 0.01 0.42 0.02 0.00 0.00 176.95 174.73 3mls s ILE 34 N -1.19 3.59 0.19 2.03 1.09 -0.14 -0.47 121.20 126.29 3mls s ILE 34 Ca 0.58 -0.64 0.06 0.00 -1.10 0.00 0.00 60.65 59.55 3mls s ILE 34 Cb -0.43 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.18 3mls s ILE 34 CO 0.56 0.25 0.08 -0.83 -0.10 0.00 0.00 174.94 174.90 3mls s GLY 35 N 1.47 1.68 -0.01 6.18 0.00 0.27 -0.54 107.32 116.37 3mls s GLY 35 Ca 0.04 -1.33 0.07 0.00 0.00 0.00 0.00 44.72 43.50 3mls s GLY 35 CO -0.01 -1.35 -0.24 -0.98 0.00 0.00 0.00 173.10 170.53 3mls s TRP 36 N -1.83 2.13 -0.02 1.90 0.52 -0.16 -1.22 118.94 120.25 3mls s TRP 36 Ca 0.30 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.02 3mls s TRP 36 Cb -0.09 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.89 3mls s TRP 36 CO 0.22 -0.02 -0.00 0.08 0.02 0.00 0.00 176.95 177.25 3mls s VAL 37 N -0.58 0.13 0.10 4.03 1.01 -0.88 -1.80 120.40 122.41 3mls s VAL 37 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3mls s VAL 37 Cb -0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3mls s VAL 37 CO -0.01 0.10 0.07 -0.60 0.00 0.00 0.00 175.10 174.66 3mls s ARG 38 N 0.69 2.79 -0.06 2.72 3.52 0.65 -1.15 118.95 128.10 3mls s ARG 38 Ca -0.07 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 3mls s ARG 38 Cb -0.10 -2.66 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 3mls s ARG 38 CO -0.01 0.54 0.06 -1.14 -0.81 0.00 0.00 175.30 173.93 3mls s GLN 39 N -2.52 0.05 -0.01 5.12 0.74 -0.71 -1.51 119.66 120.82 3mls s GLN 39 Ca 0.29 0.27 -0.24 0.00 0.05 0.00 0.00 55.36 55.73 3mls s GLN 39 Cb -0.12 -0.78 -0.05 0.00 1.10 0.00 0.00 33.01 33.17 3mls s GLN 39 CO 0.21 -0.38 0.71 0.42 -0.55 0.00 0.00 175.29 175.71 3mls s ILE 40 N 2.13 4.88 -0.28 -2.34 1.01 -1.26 -0.03 121.20 125.31 3mls s ILE 40 Ca 0.04 1.50 -0.41 0.00 0.00 0.00 0.00 60.65 61.79 3mls s ILE 40 Cb -0.13 -4.06 -0.19 0.00 0.01 0.00 0.00 42.46 38.10 3mls s ILE 40 CO -0.04 0.33 1.28 -2.65 0.00 0.00 0.00 174.94 173.86 3mls n PRO 41 N 3.16 0.00 -0.47 2.79 -0.02 -1.26 0.10 135.00 139.30 3mls n PRO 41 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3mls n PRO 41 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3mls n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mls n GLY 42 N 2.77 1.98 3.93 -1.23 0.00 -1.26 -5.01 105.19 106.38 3mls n GLY 42 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3mls n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mls s LYS 43 N -0.01 2.42 0.62 1.61 -0.14 0.28 -5.14 119.74 119.38 3mls s LYS 43 Ca 0.00 -1.69 -0.03 0.00 -1.36 0.00 0.00 55.97 52.90 3mls s LYS 43 Cb 0.00 -2.39 0.13 0.00 -1.68 0.00 0.00 37.83 33.89 3mls s LYS 43 CO 0.00 -0.49 0.85 0.41 -0.76 0.00 0.00 175.35 175.36 3mls n GLY 44 N -1.81 0.26 3.75 -3.33 0.00 -1.26 -4.57 105.19 98.23 3mls n GLY 44 Ca 0.05 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 3mls n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mls s LEU 45 N 0.00 4.47 -0.03 0.99 1.43 -1.26 -4.37 118.68 119.92 3mls s LEU 45 Ca 0.55 2.34 -0.00 0.00 -1.03 0.00 0.00 54.13 55.99 3mls s LEU 45 Cb -0.03 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.60 3mls s LEU 45 CO 0.37 -0.35 0.02 -1.83 0.23 0.00 0.00 176.35 174.79 3mls s GLU 46 N -0.87 0.08 0.32 1.70 -1.05 -0.57 -4.99 118.70 113.33 3mls s GLU 46 Ca 0.50 0.18 -0.27 0.00 -0.15 0.00 0.00 54.97 55.23 3mls s GLU 46 Cb -0.34 -0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 32.87 3mls s GLU 46 CO 0.41 -0.19 1.07 -0.46 0.95 0.00 0.00 175.26 177.04 3mls s TRP 47 N 1.27 3.49 -0.04 4.83 -0.00 -1.26 -0.26 118.94 126.98 3mls s TRP 47 Ca -0.06 1.70 0.03 0.00 -0.00 0.00 0.00 56.10 57.76 3mls s TRP 47 Cb -0.13 -3.20 -0.04 0.00 -0.00 0.00 0.00 33.47 30.10 3mls s TRP 47 CO -0.03 -0.50 0.00 1.51 -0.00 0.00 0.00 176.95 177.94 3mls n ILE 48 N 0.73 0.25 -1.54 5.86 3.06 -0.74 -4.70 119.36 122.29 3mls n ILE 48 Ca 0.01 -0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 3mls n ILE 48 Cb 0.47 -0.87 0.00 0.00 0.54 0.00 0.00 39.64 39.78 3mls n ILE 48 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3mls n GLY 49 N 2.86 -1.76 3.25 4.50 0.00 -1.20 -1.15 105.19 111.68 3mls n GLY 49 Ca -0.06 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 3mls n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mls s ILE 50 N -2.43 0.04 -0.00 -0.61 -4.36 -0.12 -0.99 121.20 112.72 3mls s ILE 50 Ca 0.00 -0.34 -0.00 0.00 -0.26 0.00 0.00 60.65 60.05 3mls s ILE 50 Cb 0.00 -0.59 -0.00 0.00 1.25 0.00 0.00 42.46 43.12 3mls s ILE 50 CO 0.00 -0.19 0.00 -0.51 0.24 0.00 0.00 174.94 174.49 3mls s ILE 51 N -0.94 0.00 -0.46 8.37 2.07 0.30 -1.06 121.20 129.48 3mls s ILE 51 Ca -0.10 -0.03 -0.16 0.00 -1.41 0.00 0.00 60.65 58.94 3mls s ILE 51 Cb -0.04 -0.03 0.06 0.00 0.13 0.00 0.00 42.46 42.58 3mls s ILE 51 CO 0.03 -0.02 0.42 -0.47 -1.91 0.00 0.00 174.94 172.99 3mls s TYR 52 N -0.05 3.21 0.24 3.50 5.04 0.16 -0.97 117.35 128.48 3mls s TYR 52 Ca -0.01 -0.77 -0.16 0.00 -2.44 0.00 0.00 57.07 53.70 3mls s TYR 52 Cb -0.00 -3.11 0.28 0.00 0.35 0.00 0.00 41.96 39.48 3mls s TYR 52 CO -0.00 -0.79 1.53 -2.30 -1.34 0.00 0.00 175.55 172.65 3mls n PRO 52 N 5.38 -0.21 -0.30 4.97 -0.02 -1.26 0.72 135.00 144.28 3mls n PRO 52 Ca -0.11 1.52 0.24 0.00 -2.02 0.00 0.00 63.50 63.14 3mls n PRO 52 Cb 0.45 -2.27 0.56 0.00 -0.02 0.00 0.00 33.50 32.22 3mls n PRO 52 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3mls h ASP 53 N 0.00 0.34 0.00 2.55 3.58 -1.78 -3.23 116.42 117.89 3mls h ASP 53 Ca 0.37 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.88 3mls h ASP 53 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 3mls h ASP 53 CO -0.99 0.08 0.00 -0.90 -2.88 0.00 0.00 179.24 174.55 3mls n ASP 54 N -4.52 0.13 -0.62 2.28 3.85 -0.87 -5.02 116.55 111.78 3mls n ASP 54 Ca 0.24 -1.04 -0.08 0.00 -0.71 0.00 0.00 54.79 53.20 3mls n ASP 54 Cb 0.91 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.64 3mls n ASP 54 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mls n SER 55 N -0.02 -4.74 -4.73 -1.12 7.64 0.22 -4.96 113.62 105.92 3mls n SER 55 Ca 0.00 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.66 3mls n SER 55 Cb 0.32 -2.95 -0.02 0.00 -1.01 0.00 0.00 64.21 60.55 3mls n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3mls n ASP 56 N -0.36 3.89 -4.19 6.43 9.92 -1.21 -4.64 116.55 126.39 3mls n ASP 56 Ca -0.08 1.11 -0.12 0.00 -0.53 0.00 0.00 54.79 55.17 3mls n ASP 56 Cb 0.39 -1.58 -0.10 0.00 -0.64 0.00 0.00 41.12 39.19 3mls n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mls s ALA 57 N 0.56 1.11 -0.03 2.24 0.00 -1.26 0.38 121.76 124.75 3mls s ALA 57 Ca 0.70 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3mls s ALA 57 Cb -0.51 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.00 3mls s ALA 57 CO 0.41 -0.28 0.06 -1.01 0.00 0.00 0.00 175.76 174.93 3mls s HIS 58 N -3.67 0.01 0.20 0.00 3.76 -0.23 -4.99 115.29 110.37 3mls s HIS 58 Ca 0.17 0.23 0.08 0.00 -0.15 0.00 0.00 55.06 55.38 3mls s HIS 58 Cb 0.06 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 3mls s HIS 58 CO -0.01 -0.14 0.02 0.71 -0.85 0.00 0.00 174.74 174.47 3mls s TYR 59 N 1.48 2.85 0.15 1.40 1.51 -1.26 -0.95 117.35 122.53 3mls s TYR 59 Ca -0.04 -0.15 -0.19 0.00 -1.01 0.00 0.00 57.07 55.68 3mls s TYR 59 Cb -0.13 -1.35 -0.07 0.00 -0.11 0.00 0.00 41.96 40.30 3mls s TYR 59 CO -0.03 0.54 0.65 -1.54 -1.11 0.00 0.00 175.55 174.06 3mls s SER 60 N -3.16 7.07 0.29 2.29 1.04 -0.30 -4.88 113.70 116.05 3mls s SER 60 Ca 0.29 1.34 0.04 0.00 0.48 0.00 0.00 55.95 58.10 3mls s SER 60 Cb -0.09 -2.39 0.73 0.00 0.10 0.00 0.00 66.02 64.38 3mls s SER 60 CO 0.19 0.15 1.69 -0.65 0.98 0.00 0.00 173.24 175.60 3mls h PRO 61 N 3.91 0.38 -0.14 4.02 0.11 -1.93 0.10 132.00 138.47 3mls h PRO 61 Ca -0.48 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3mls h PRO 61 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3mls h PRO 61 CO 0.65 0.25 0.09 0.77 -0.21 0.00 0.00 178.00 179.55 3mls h SER 62 N 0.39 0.11 0.00 -2.05 0.02 -1.93 -3.25 113.55 106.85 3mls h SER 62 Ca 0.56 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.41 3mls h SER 62 Cb 1.08 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3mls h SER 62 CO -0.53 0.08 -1.90 0.49 -1.14 0.00 0.00 176.83 173.82 3mls n PHE 63 N -4.51 0.00 -1.77 3.45 3.72 0.19 -4.87 117.46 113.67 3mls n PHE 63 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3mls n PHE 63 Cb 0.12 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 3mls n PHE 63 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mls s GLU 64 N -2.92 4.15 0.00 -1.08 2.12 -0.19 -0.90 118.70 119.88 3mls s GLU 64 Ca -0.07 2.55 0.00 0.00 0.36 0.00 0.00 54.97 57.81 3mls s GLU 64 Cb 0.09 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 31.15 3mls s GLU 64 CO 0.70 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 3mls n GLY 65 N 4.05 0.68 0.00 -1.50 0.00 -1.26 -4.84 105.19 102.32 3mls n GLY 65 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3mls n GLY 65 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mls n GLN 66 N -2.60 2.23 -3.79 1.61 3.00 -0.08 -5.11 117.38 112.65 3mls n GLN 66 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3mls n GLN 66 Cb 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 30.24 29.43 3mls n GLN 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mls s VAL 67 N -1.36 0.12 -0.04 5.09 0.11 -0.99 -4.68 120.40 118.65 3mls s VAL 67 Ca 0.00 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 3mls s VAL 67 Cb 0.00 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 3mls s VAL 67 CO 0.00 -0.53 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.24 3mls s THR 68 N -3.85 1.00 0.10 5.04 2.01 -0.14 -4.80 115.64 115.01 3mls s THR 68 Ca 0.05 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 3mls s THR 68 Cb 0.04 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 3mls s THR 68 CO -0.11 0.31 0.27 -0.04 -0.69 0.00 0.00 174.62 174.35 3mls s MET 69 N 0.24 3.48 0.20 4.92 -1.94 -1.26 -1.18 119.30 123.76 3mls s MET 69 Ca -0.05 -0.40 -0.23 0.00 -1.71 0.00 0.00 55.69 53.30 3mls s MET 69 Cb -0.11 -2.98 0.05 0.00 2.01 0.00 0.00 34.83 33.81 3mls s MET 69 CO 0.01 0.55 0.84 -1.54 -0.01 0.00 0.00 175.02 174.88 3mls s SER 70 N -2.68 -0.23 0.11 3.03 1.04 -0.88 -5.01 113.70 109.08 3mls s SER 70 Ca 0.36 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 3mls s SER 70 Cb -0.12 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3mls s SER 70 CO 0.28 -1.08 0.08 0.68 0.98 0.00 0.00 173.24 174.18 3mls s VAL 71 N -3.56 0.13 -0.33 5.02 -7.23 -1.26 -0.02 120.40 113.16 3mls s VAL 71 Ca 0.11 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3mls s VAL 71 Cb -0.03 -1.80 0.11 0.00 0.56 0.00 0.00 36.38 35.21 3mls s VAL 71 CO 0.03 -0.60 0.13 -0.62 -0.31 0.00 0.00 175.10 173.73 3mls s ASP 72 N -2.98 3.84 0.25 4.85 3.68 0.20 -4.96 116.67 121.55 3mls s ASP 72 Ca 0.17 -1.80 -0.03 0.00 2.13 0.00 0.00 52.55 53.01 3mls s ASP 72 Cb 0.07 -0.80 0.44 0.00 -1.45 0.00 0.00 42.92 41.18 3mls s ASP 72 CO -0.03 -0.39 1.80 0.11 0.13 0.00 0.00 175.17 176.79 3mls h LYS 73 N 7.82 0.72 -0.10 4.34 1.57 -1.92 -1.30 116.57 127.70 3mls h LYS 73 Ca -0.11 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3mls h LYS 73 Cb 1.00 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3mls h LYS 73 CO 0.45 0.48 0.09 0.66 -0.57 0.00 0.00 179.45 180.56 3mls h SER 74 N 0.74 0.00 -0.00 0.86 4.64 -1.97 -2.13 113.55 115.69 3mls h SER 74 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3mls h SER 74 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3mls h SER 74 CO -0.28 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.98 3mls n ILE 75 N -4.15 1.52 -4.09 0.95 -5.35 -0.95 -5.00 119.36 102.29 3mls n ILE 75 Ca -0.01 -1.74 -0.29 0.00 -0.27 0.00 0.00 62.75 60.44 3mls n ILE 75 Cb 0.20 0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.12 3mls n ILE 75 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3mls n SER 76 N -1.04 -0.36 -4.25 7.28 7.64 -0.54 -4.66 113.62 117.69 3mls n SER 76 Ca 0.09 -1.13 -0.29 0.00 1.01 0.00 0.00 58.87 58.55 3mls n SER 76 Cb 0.48 -2.41 -0.16 0.00 -1.01 0.00 0.00 64.21 61.11 3mls n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mls s THR 77 N -4.07 1.86 -0.13 0.44 2.01 -0.92 -0.88 115.64 113.95 3mls s THR 77 Ca 0.06 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 3mls s THR 77 Cb -0.03 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3mls s THR 77 CO 0.94 0.52 0.02 0.00 -0.69 0.00 0.00 174.62 175.41 3mls s ALA 78 N -0.40 3.30 0.19 7.40 0.00 0.08 -0.63 121.76 131.70 3mls s ALA 78 Ca 0.05 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.34 3mls s ALA 78 Cb -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 3mls s ALA 78 CO 0.00 0.42 -0.21 0.71 0.00 0.00 0.00 175.76 176.68 3mls s TYR 79 N -0.33 2.37 -0.06 0.00 1.51 0.98 -0.07 117.35 121.75 3mls s TYR 79 Ca 0.07 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3mls s TYR 79 Cb -0.12 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3mls s TYR 79 CO 0.02 0.51 0.01 -1.17 -1.11 0.00 0.00 175.55 173.80 3mls s LEU 80 N -2.72 0.68 0.04 -1.29 2.96 -0.60 -2.07 118.68 115.68 3mls s LEU 80 Ca 0.22 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3mls s LEU 80 Cb -0.08 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3mls s LEU 80 CO 0.11 -0.17 -0.03 0.00 -1.32 0.00 0.00 176.35 174.94 3mls s GLN 81 N 1.75 0.50 0.00 1.98 -2.07 -0.32 -1.20 119.66 120.30 3mls s GLN 81 Ca 0.01 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.56 3mls s GLN 81 Cb -0.13 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 3mls s GLN 81 CO -0.04 -0.09 0.00 0.91 -1.32 0.00 0.00 175.29 174.76 3mls n TRP 82 N 0.67 0.00 -1.68 9.60 8.01 0.47 -0.97 117.44 133.54 3mls n TRP 82 Ca -0.18 0.00 -0.48 0.00 -1.31 0.00 0.00 57.50 55.53 3mls n TRP 82 Cb 0.59 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.84 3mls n TRP 82 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3mls n THR 82 N 0.00 0.46 -2.59 -0.99 -2.24 -1.26 -2.29 114.28 105.37 3mls n THR 82 Ca 0.00 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 3mls n THR 82 Cb 0.00 -1.80 -0.01 0.00 -2.10 0.00 0.00 70.33 66.42 3mls n THR 82 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mls s LEU 82 N 3.43 3.64 0.05 3.22 1.43 -0.40 -4.76 118.68 125.29 3mls s LEU 82 Ca 0.90 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.06 3mls s LEU 82 Cb -0.69 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 41.47 3mls s LEU 82 CO 0.49 -0.56 0.01 0.00 0.23 0.00 0.00 176.35 176.52 3mls s GLN 83 N -4.50 0.61 0.45 1.70 -2.07 -1.26 0.67 119.66 115.26 3mls s GLN 83 Ca 0.50 -1.09 0.27 0.00 -1.82 0.00 0.00 55.36 53.23 3mls s GLN 83 Cb -0.10 0.22 1.33 0.00 -1.09 0.00 0.00 33.01 33.36 3mls s GLN 83 CO 0.41 -0.13 1.74 0.00 -1.32 0.00 0.00 175.29 176.00 3mls h ALA 84 N 3.29 2.66 0.00 2.60 0.00 -1.97 0.18 119.26 126.02 3mls h ALA 84 Ca -0.34 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3mls h ALA 84 Cb 1.16 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mls h ALA 84 CO 0.61 -1.11 -0.03 0.66 0.00 0.00 0.00 179.25 179.38 3mls h SER 85 N 0.20 0.00 0.44 0.00 4.64 -1.96 -2.76 113.55 114.11 3mls h SER 85 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 3mls h SER 85 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 3mls h SER 85 CO -0.23 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.23 3mls n ASP 86 N -3.28 0.00 -4.72 4.97 8.00 0.64 -4.86 116.55 117.30 3mls n ASP 86 Ca -0.02 -0.17 -0.43 0.00 0.71 0.00 0.00 54.79 54.89 3mls n ASP 86 Cb 0.18 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 3mls n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mls n THR 87 N -1.26 0.99 0.00 -3.53 -1.04 -1.04 -4.86 114.28 103.54 3mls n THR 87 Ca 0.13 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3mls n THR 87 Cb 0.20 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 3mls n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mls n GLY 88 N 2.18 1.70 3.60 3.41 0.00 0.49 -4.66 105.19 111.91 3mls n GLY 88 Ca 0.10 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 3mls n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mls s LYS 89 N -1.95 3.96 -0.27 1.61 2.20 0.95 -1.14 119.74 125.11 3mls s LYS 89 Ca 0.00 0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 55.56 3mls s LYS 89 Cb 0.00 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 3mls s LYS 89 CO 0.00 -0.36 0.28 0.71 -0.36 0.00 0.00 175.35 175.62 3mls s TYR 90 N 2.18 3.24 -0.07 4.03 1.51 -0.04 -1.75 117.35 126.46 3mls s TYR 90 Ca 0.17 0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.46 3mls s TYR 90 Cb -0.16 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 3mls s TYR 90 CO 0.10 -0.18 0.14 -0.06 -1.11 0.00 0.00 175.55 174.44 3mls s PHE 91 N 1.87 3.52 -0.12 2.71 0.40 -0.30 -1.31 117.98 124.75 3mls s PHE 91 Ca 0.11 0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 3mls s PHE 91 Cb -0.16 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 3mls s PHE 91 CO 0.10 0.67 -0.09 0.00 0.70 0.00 0.00 175.22 176.60 3mls s THR 93 N 0.03 0.14 -0.17 0.00 -1.32 -0.36 0.25 115.64 114.21 3mls s THR 93 Ca -0.02 -1.17 -0.04 0.00 -1.21 0.00 0.00 61.69 59.25 3mls s THR 93 Cb -0.14 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.84 3mls s THR 93 CO 0.04 -0.65 -0.04 -0.60 -2.21 0.00 0.00 174.62 171.16 3mls s ARG 94 N -2.84 3.58 -0.10 7.08 3.52 0.42 -0.56 118.95 130.05 3mls s ARG 94 Ca -0.03 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 3mls s ARG 94 Cb 0.00 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3mls s ARG 94 CO -0.06 0.13 1.18 -1.17 -0.81 0.00 0.00 175.30 174.57 3mls s LEU 95 N 0.66 4.24 -0.01 -0.88 2.96 0.38 -2.48 118.68 123.55 3mls s LEU 95 Ca -0.02 1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 55.59 3mls s LEU 95 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3mls s LEU 95 CO 0.02 -0.62 0.13 -0.47 -1.32 0.00 0.00 176.35 174.09 3mls s TYR 96 N 2.57 3.41 -0.34 5.38 5.04 0.18 -4.10 117.35 129.48 3mls s TYR 96 Ca 0.54 0.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.36 3mls s TYR 96 Cb -0.23 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.33 3mls s TYR 96 CO 0.19 0.60 0.14 -1.17 -1.34 0.00 0.00 175.55 173.97 3mls s LEU 97 N -1.82 4.38 -0.27 6.97 2.96 -1.26 -1.81 118.68 127.83 3mls s LEU 97 Ca 0.25 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 3mls s LEU 97 Cb -0.12 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3mls s LEU 97 CO 0.16 -0.32 0.35 -0.36 -1.32 0.00 0.00 176.35 174.86 3mls s PHE 98 N 1.49 3.24 0.06 5.38 0.40 0.17 -4.99 117.98 123.72 3mls s PHE 98 Ca 0.01 0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 3mls s PHE 98 Cb -0.19 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 3mls s PHE 98 CO 0.04 -0.23 0.19 -1.21 0.70 0.00 0.00 175.22 174.71 3mls s GLU 99 N 2.03 3.37 0.00 0.44 2.02 -1.26 -1.57 118.70 123.72 3mls s GLU 99 Ca 0.14 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3mls s GLU 99 Cb -0.16 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3mls s GLU 99 CO 0.10 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.40 3mls n GLY 100 N 0.37 -0.87 0.32 -1.39 0.00 -1.26 -4.95 105.19 97.41 3mls n GLY 100 Ca -0.06 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.07 3mls n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mls h ALA 100 N 0.00 0.75 -3.74 4.61 0.00 -2.09 -3.50 119.26 115.30 3mls h ALA 100 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3mls h ALA 100 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3mls h ALA 100 CO 0.00 -0.44 0.00 1.04 0.00 0.00 0.00 179.25 179.85 3mls n GLN 100 N -5.50 1.87 0.00 0.00 3.00 -1.26 -5.32 117.38 110.17 3mls n GLN 100 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3mls n GLN 100 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 3mls n GLN 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3mls n SER 100 N -1.17 0.00 -4.12 1.08 3.41 -0.61 -4.79 113.62 107.42 3mls n SER 100 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3mls n SER 100 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3mls n SER 100 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mls s ASN 100 N 0.00 0.71 -0.19 4.04 -0.87 -1.26 -0.65 114.94 116.72 3mls s ASN 100 Ca 0.00 -1.01 -0.31 0.00 -1.57 0.00 0.00 52.86 49.97 3mls s ASN 100 Cb 0.00 0.17 0.15 0.00 -0.02 0.00 0.00 41.25 41.54 3mls s ASN 100 CO 0.00 -0.56 1.12 0.00 -2.57 0.00 0.00 177.10 175.09 3mls s ALA 100 N -3.82 -2.00 -0.71 0.60 0.00 -0.75 -4.94 121.76 110.13 3mls s ALA 100 Ca 0.09 1.63 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 3mls s ALA 100 Cb 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3mls s ALA 100 CO -0.08 -0.37 1.30 -0.06 0.00 0.00 0.00 175.76 176.55 3mls s PHE 100 N -1.48 2.29 -0.07 0.00 0.08 -1.26 0.48 117.98 118.02 3mls s PHE 100 Ca 0.04 0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.24 3mls s PHE 100 Cb -0.01 -4.59 -0.24 0.00 -0.57 0.00 0.00 43.02 37.62 3mls s PHE 100 CO -0.03 -2.03 0.55 -0.40 -0.10 0.00 0.00 175.22 173.22 3mls n ASP 101 N 9.41 1.05 -4.49 1.36 5.75 -1.04 -4.90 116.55 123.70 3mls n ASP 101 Ca 0.05 0.34 -0.33 0.00 -0.01 0.00 0.00 54.79 54.83 3mls n ASP 101 Cb 0.49 -0.13 -0.13 0.00 -1.03 0.00 0.00 41.12 40.32 3mls n ASP 101 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3mls s LEU 102 N -6.22 2.99 0.04 -2.12 0.20 -1.25 -5.00 118.68 107.32 3mls s LEU 102 Ca -0.09 -0.16 0.04 0.00 0.69 0.00 0.00 54.13 54.62 3mls s LEU 102 Cb 0.08 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 3mls s LEU 102 CO 0.81 0.26 -0.12 0.26 -0.29 0.00 0.00 176.35 177.27 3mls s TRP 103 N -0.21 1.05 0.76 5.38 0.52 -1.26 -0.44 118.94 124.74 3mls s TRP 103 Ca 0.02 -0.36 -0.09 0.00 0.02 0.00 0.00 56.10 55.69 3mls s TRP 103 Cb -0.13 -0.62 0.08 0.00 -1.15 0.00 0.00 33.47 31.65 3mls s TRP 103 CO 0.03 0.01 1.10 0.20 0.02 0.00 0.00 176.95 178.31 3mls s GLY 104 N -1.15 1.65 0.45 0.98 0.00 0.14 -4.53 107.32 104.85 3mls s GLY 104 Ca -0.01 -0.83 0.25 0.00 0.00 0.00 0.00 44.72 44.13 3mls s GLY 104 CO 0.01 -0.37 1.76 0.06 0.00 0.00 0.00 173.10 174.56 3mls h GLN 105 N -0.86 0.00 0.00 2.90 -0.00 -1.89 -3.43 115.11 111.83 3mls h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 3mls h GLN 105 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3mls h GLN 105 CO 0.61 0.15 0.00 0.41 -0.00 0.00 0.00 178.83 180.00 3mls n GLY 106 N 0.52 2.61 2.84 0.06 0.00 -1.26 -5.02 105.19 104.94 3mls n GLY 106 Ca 0.02 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 3mls n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mls s THR 107 N -2.44 1.02 -0.13 2.61 2.01 -0.42 -4.86 115.64 113.43 3mls s THR 107 Ca 0.00 -0.84 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 3mls s THR 107 Cb 0.00 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3mls s THR 107 CO 0.00 -0.12 0.95 -0.32 -0.69 0.00 0.00 174.62 174.45 3mls s MET 108 N 1.63 4.37 -0.21 4.92 1.75 -1.26 -0.86 119.30 129.64 3mls s MET 108 Ca -0.03 1.27 0.01 0.00 -1.25 0.00 0.00 55.69 55.69 3mls s MET 108 Cb -0.18 -3.56 0.04 0.00 2.84 0.00 0.00 34.83 33.98 3mls s MET 108 CO -0.07 -0.34 -0.11 0.42 -0.65 0.00 0.00 175.02 174.27 3mls s ILE 109 N 2.12 1.79 -0.38 10.11 -1.09 -0.29 -1.78 121.20 131.68 3mls s ILE 109 Ca 0.45 -1.14 -0.07 0.00 -2.23 0.00 0.00 60.65 57.66 3mls s ILE 109 Cb -0.17 -1.85 0.07 0.00 -1.58 0.00 0.00 42.46 38.92 3mls s ILE 109 CO 0.15 0.15 0.17 -0.22 -1.23 0.00 0.00 174.94 173.97 3mls s LEU 110 N 1.32 4.75 -0.32 2.97 2.96 -0.99 -0.38 118.68 128.99 3mls s LEU 110 Ca -0.02 -1.42 -0.25 0.00 -0.22 0.00 0.00 54.13 52.22 3mls s LEU 110 Cb -0.17 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3mls s LEU 110 CO -0.08 -0.44 0.86 -0.69 -1.32 0.00 0.00 176.35 174.68 3mls s VAL 111 N 1.36 4.71 0.20 1.68 1.01 -1.26 -1.59 120.40 126.52 3mls s VAL 111 Ca 0.01 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.05 3mls s VAL 111 Cb -0.21 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 31.98 3mls s VAL 111 CO 0.01 -0.34 0.59 -0.55 0.00 0.00 0.00 175.10 174.82 3mls s SER 112 N 1.67 -0.36 0.00 3.32 0.15 0.33 -4.77 113.70 114.03 3mls s SER 112 Ca 0.35 -0.35 0.17 0.00 0.70 0.00 0.00 55.95 56.82 3mls s SER 112 Cb -0.13 0.62 0.18 0.00 -1.71 0.00 0.00 66.02 64.98 3mls s SER 112 CO 0.14 -1.09 1.09 -1.54 1.20 0.00 0.00 173.24 173.04 3mls n SER 113 N -0.38 2.56 -4.64 5.45 3.41 -1.26 -3.65 113.62 115.10 3mls n SER 113 Ca -0.11 -1.75 -0.45 0.00 -0.26 0.00 0.00 58.87 56.31 3mls n SER 113 Cb 0.62 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 3mls n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mls n GLY 114 N 0.97 0.29 3.31 5.00 0.00 -1.26 -4.98 105.19 108.52 3mls n GLY 114 Ca 0.11 0.39 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 3mls n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mls s THR 115 N -0.71 2.49 0.01 2.61 -1.32 -1.26 -5.08 115.64 112.37 3mls s THR 115 Ca 0.62 -0.89 -0.34 0.00 -1.21 0.00 0.00 61.69 59.87 3mls s THR 115 Cb -0.67 -1.97 -0.13 0.00 -1.51 0.00 0.00 72.50 68.22 3mls s THR 115 CO 0.57 0.56 1.76 0.41 -2.21 0.00 0.00 174.62 175.70 3mls n THR 116 N 3.22 0.35 -3.53 5.08 -1.04 -1.26 -4.69 114.28 112.41 3mls n THR 116 Ca -0.18 -0.06 -0.17 0.00 -2.04 0.00 0.00 64.05 61.60 3mls n THR 116 Cb 0.53 -1.73 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 3mls n THR 116 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3mls s LYS 117 N 2.82 1.05 0.57 -2.82 -2.85 0.47 -4.97 119.74 114.02 3mls s LYS 117 Ca 0.87 0.13 -0.15 0.00 -1.00 0.00 0.00 55.97 55.82 3mls s LYS 117 Cb -0.69 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 35.52 3mls s LYS 117 CO 0.46 -0.35 1.02 0.20 0.10 0.00 0.00 175.35 176.79 3mls s GLY 118 N -1.40 2.02 0.88 0.59 0.00 -1.26 -1.50 107.32 106.65 3mls s GLY 118 Ca -0.10 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 3mls s GLY 118 CO 0.07 0.53 1.11 2.56 0.00 0.00 0.00 173.10 177.37 3mls s PRO 119 N -4.26 1.36 -0.12 2.90 0.04 -1.26 -4.64 135.00 129.02 3mls s PRO 119 Ca 0.60 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 3mls s PRO 119 Cb -0.13 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3mls s PRO 119 CO 0.38 -2.09 -0.10 0.45 0.04 0.00 0.00 177.00 175.68 3mls s SER 120 N -3.86 4.30 -0.20 6.66 0.15 -0.40 -4.94 113.70 115.41 3mls s SER 120 Ca 0.63 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 3mls s SER 120 Cb -0.15 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.62 3mls s SER 120 CO 0.54 0.21 -0.05 -0.69 1.20 0.00 0.00 173.24 174.45 3mls s VAL 121 N 0.10 3.43 0.03 4.45 1.01 -1.26 -1.47 120.40 126.69 3mls s VAL 121 Ca -0.04 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3mls s VAL 121 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3mls s VAL 121 CO 0.04 0.45 -0.19 -0.36 0.00 0.00 0.00 175.10 175.04 3mls s PHE 122 N 1.16 2.55 0.33 5.22 0.08 -0.70 -4.97 117.98 121.64 3mls s PHE 122 Ca 0.02 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.57 3mls s PHE 122 Cb -0.14 -1.48 -0.10 0.00 -0.57 0.00 0.00 43.02 40.72 3mls s PHE 122 CO -0.01 0.22 0.90 -1.25 -0.10 0.00 0.00 175.22 174.98 3mls s PRO 123 N -1.28 4.44 -0.74 0.24 0.04 -1.26 -0.78 135.00 135.66 3mls s PRO 123 Ca 0.14 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 3mls s PRO 123 Cb -0.10 -2.69 0.19 0.00 0.04 0.00 0.00 34.50 31.94 3mls s PRO 123 CO 0.04 0.24 0.58 -0.51 0.04 0.00 0.00 177.00 177.39 3mls s LEU 124 N -2.28 5.28 0.34 -3.56 1.43 -0.66 -4.83 118.68 114.39 3mls s LEU 124 Ca 0.51 -3.34 -0.26 0.00 -1.03 0.00 0.00 54.13 50.01 3mls s LEU 124 Cb -0.16 -1.84 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 3mls s LEU 124 CO 0.21 -0.25 0.86 0.00 0.23 0.00 0.00 176.35 177.39 3mls n ALA 125 N 2.81 -0.67 -1.92 4.21 0.00 -1.26 -2.04 120.51 121.63 3mls n ALA 125 Ca 0.15 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3mls n ALA 125 Cb 0.37 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3mls n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mls n PRO 126 N 0.58 3.19 -0.76 0.00 -0.04 -1.26 -4.82 135.00 131.90 3mls n PRO 126 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3mls n PRO 126 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 3mls n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mls n SER 127 N 0.00 -3.35 0.00 3.54 2.88 -1.26 -4.53 113.62 110.90 3mls n SER 127 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 3mls n SER 127 Cb 0.00 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.84 3mls n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3mls n SER 128 N 0.30 0.00 -0.10 -3.46 7.64 -1.26 -4.11 113.62 112.62 3mls n SER 128 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3mls n SER 128 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3mls n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3mls n LYS 129 N 0.00 0.43 -2.69 1.43 4.76 -1.26 -2.58 118.16 118.25 3mls n LYS 129 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 3mls n LYS 129 Cb 0.00 -1.04 0.11 0.00 -1.84 0.00 0.00 35.03 32.26 3mls n LYS 129 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3mls n SER 130 N -0.34 -1.84 -3.71 4.39 7.64 -1.26 -5.00 113.62 113.50 3mls n SER 130 Ca 0.00 -2.40 -0.14 0.00 1.01 0.00 0.00 58.87 57.34 3mls n SER 130 Cb 0.02 1.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.14 3mls n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mls s THR 131 N 0.19 0.05 0.00 0.44 -4.23 -1.06 0.34 115.64 111.37 3mls s THR 131 Ca 0.20 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 3mls s THR 131 Cb 0.39 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.48 3mls s THR 131 CO -0.09 -0.23 0.51 -0.24 -0.54 0.00 0.00 174.62 174.03 3mls n SER 132 N 1.06 0.00 0.00 3.99 2.88 -1.22 -4.90 113.62 115.43 3mls n SER 132 Ca -0.21 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 3mls n SER 132 Cb 0.57 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3mls n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mls n GLY 133 N 0.00 -0.84 1.29 0.46 0.00 -1.26 -4.95 105.19 99.89 3mls n GLY 133 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 3mls n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mls n GLY 134 N 0.00 2.42 3.29 -0.02 0.00 -1.26 -4.78 105.19 104.84 3mls n GLY 134 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 3mls n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mls s THR 135 N -0.26 0.04 0.12 2.61 -4.23 -1.26 -3.51 115.64 109.15 3mls s THR 135 Ca 0.04 -0.36 0.07 0.00 -1.18 0.00 0.00 61.69 60.26 3mls s THR 135 Cb 0.03 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 3mls s THR 135 CO 0.00 -0.20 -0.16 0.00 -0.54 0.00 0.00 174.62 173.72 3mls s ALA 136 N -1.18 1.65 -0.12 3.99 0.00 0.47 -3.43 121.76 123.14 3mls s ALA 136 Ca -0.12 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3mls s ALA 136 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3mls s ALA 136 CO 0.05 0.19 -0.15 0.00 0.00 0.00 0.00 175.76 175.85 3mls s ALA 137 N -1.82 2.55 0.06 0.00 0.00 1.05 -0.65 121.76 122.94 3mls s ALA 137 Ca 0.09 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 3mls s ALA 137 Cb -0.07 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3mls s ALA 137 CO 0.04 0.27 0.33 -0.48 0.00 0.00 0.00 175.76 175.91 3mls s LEU 138 N 0.31 0.77 0.00 0.00 0.05 -0.24 -4.23 118.68 115.35 3mls s LEU 138 Ca -0.12 -0.21 0.00 0.00 0.05 0.00 0.00 54.13 53.86 3mls s LEU 138 Cb -0.16 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 45.44 3mls s LEU 138 CO 0.06 -0.66 0.00 0.61 -0.55 0.00 0.00 176.35 175.81 3mls n GLY 139 N 0.42 3.30 3.10 -3.48 0.00 -0.87 0.36 105.19 108.02 3mls n GLY 139 Ca -0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3mls n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mls s LEU 141 N -0.35 4.16 -0.69 0.00 2.96 0.04 -1.80 118.68 123.00 3mls s LEU 141 Ca -0.04 -0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 52.94 3mls s LEU 141 Cb -0.03 -1.94 0.18 0.00 0.50 0.00 0.00 46.19 44.89 3mls s LEU 141 CO 0.01 -0.25 0.64 -0.69 -1.32 0.00 0.00 176.35 174.74 3mls s VAL 142 N 1.53 5.42 -0.00 1.68 1.01 0.23 -1.72 120.40 128.55 3mls s VAL 142 Ca 0.02 -2.01 -0.04 0.00 0.00 0.00 0.00 61.98 59.96 3mls s VAL 142 Cb -0.18 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3mls s VAL 142 CO 0.04 -0.95 0.21 -0.75 0.00 0.00 0.00 175.10 173.65 3mls s LYS 143 N 0.85 3.48 -0.48 2.72 2.47 -0.54 -1.60 119.74 126.64 3mls s LYS 143 Ca 0.11 -0.24 -0.35 0.00 -1.56 0.00 0.00 55.97 53.93 3mls s LYS 143 Cb -0.20 -3.08 0.05 0.00 -1.46 0.00 0.00 37.83 33.14 3mls s LYS 143 CO -0.03 0.66 0.66 -0.25 0.16 0.00 0.00 175.35 176.55 3mls n ASP 144 N 0.98 -5.62 -4.21 1.43 10.43 -0.55 -1.28 116.55 117.73 3mls n ASP 144 Ca -0.11 -0.18 -0.14 0.00 2.57 0.00 0.00 54.79 56.93 3mls n ASP 144 Cb 0.53 -1.91 -0.10 0.00 1.84 0.00 0.00 41.12 41.47 3mls n ASP 144 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3mls s TYR 145 N -1.68 1.14 -0.28 1.24 -0.85 -0.88 -4.20 117.35 111.84 3mls s TYR 145 Ca 0.34 -0.71 -0.20 0.00 -0.52 0.00 0.00 57.07 55.98 3mls s TYR 145 Cb -0.04 -0.61 0.11 0.00 0.38 0.00 0.00 41.96 41.80 3mls s TYR 145 CO 0.87 0.03 0.87 0.12 -1.52 0.00 0.00 175.55 175.91 3mls s PHE 146 N -2.83 -0.72 0.00 -3.49 5.36 -0.56 -1.26 117.98 114.48 3mls s PHE 146 Ca 0.10 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3mls s PHE 146 Cb -0.00 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 3mls s PHE 146 CO -0.00 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.06 3mls n PRO 147 N 3.23 2.23 -1.70 10.12 -0.04 -1.26 -0.40 135.00 147.19 3mls n PRO 147 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 3mls n PRO 147 Cb 0.57 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.08 3mls n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mls s GLU 148 N 1.21 2.87 0.51 0.54 0.41 -1.26 -4.78 118.70 118.19 3mls s GLU 148 Ca 0.00 1.20 0.04 0.00 -0.41 0.00 0.00 54.97 55.80 3mls s GLU 148 Cb 0.00 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 3mls s GLU 148 CO 0.00 -1.17 0.20 -1.25 -0.49 0.00 0.00 175.26 172.55 3mls s PRO 149 N -4.45 2.22 0.13 0.39 0.04 -1.26 -4.92 135.00 127.16 3mls s PRO 149 Ca 0.63 -2.14 0.10 0.00 0.04 0.00 0.00 61.00 59.63 3mls s PRO 149 Cb -0.17 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3mls s PRO 149 CO 0.46 -0.42 -0.23 0.14 0.04 0.00 0.00 177.00 176.98 3mls s VAL 150 N -2.78 2.02 0.05 -0.36 -7.23 -1.26 -4.46 120.40 106.37 3mls s VAL 150 Ca 0.24 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 3mls s VAL 150 Cb 0.01 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3mls s VAL 150 CO 0.14 -0.03 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.85 3mls s THR 151 N -1.28 2.95 -0.11 5.32 2.01 0.57 -4.95 115.64 120.15 3mls s THR 151 Ca 0.12 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 3mls s THR 151 Cb -0.09 -2.27 0.06 0.00 0.01 0.00 0.00 72.50 70.20 3mls s THR 151 CO 0.06 0.29 0.23 0.54 -0.69 0.00 0.00 174.62 175.05 3mls s VAL 152 N -0.99 -0.28 0.31 3.82 0.11 -1.25 -0.97 120.40 121.16 3mls s VAL 152 Ca 0.16 0.26 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 3mls s VAL 152 Cb -0.11 -0.38 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 3mls s VAL 152 CO 0.07 0.11 0.05 -0.94 -3.33 0.00 0.00 175.10 171.05 3mls s SER 153 N 2.06 2.33 -0.01 3.54 1.04 -0.36 -4.94 113.70 117.36 3mls s SER 153 Ca -0.01 -1.35 0.07 0.00 0.48 0.00 0.00 55.95 55.13 3mls s SER 153 Cb -0.12 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3mls s SER 153 CO -0.08 -0.58 -0.22 0.26 0.98 0.00 0.00 173.24 173.60 3mls s TRP 154 N -3.29 1.95 -1.49 5.02 0.52 -1.26 0.72 118.94 121.10 3mls s TRP 154 Ca 0.35 -0.37 -0.15 0.00 0.02 0.00 0.00 56.10 55.96 3mls s TRP 154 Cb 0.08 -1.24 0.12 0.00 -1.15 0.00 0.00 33.47 31.28 3mls s TRP 154 CO 0.15 -0.01 0.67 0.09 0.02 0.00 0.00 176.95 177.87 3mls n ASN 155 N 2.43 -3.50 -2.29 2.95 3.02 0.72 -1.04 115.26 117.55 3mls n ASN 155 Ca -0.16 -0.72 -0.17 0.00 -0.03 0.00 0.00 54.58 53.50 3mls n ASN 155 Cb 0.53 -2.88 0.02 0.00 -0.61 0.00 0.00 39.78 36.84 3mls n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mls n SER 156 N -2.49 -5.07 0.00 6.41 7.64 -1.26 -2.88 113.62 115.96 3mls n SER 156 Ca 0.04 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.74 3mls n SER 156 Cb 0.51 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 3mls n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mls n GLY 157 N -1.29 0.75 0.12 0.23 0.00 -0.21 -4.94 105.19 99.85 3mls n GLY 157 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3mls n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mls h ALA 158 N 0.00 0.40 -1.98 4.61 0.00 -1.36 -3.42 119.26 117.51 3mls h ALA 158 Ca 0.00 -1.26 -0.71 0.00 0.00 0.00 0.00 54.91 52.95 3mls h ALA 158 Cb 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 17.79 18.06 3mls h ALA 158 CO 0.00 1.26 0.83 -1.17 0.00 0.00 0.00 179.25 180.17 3mls s LEU 159 N -6.87 5.21 -0.60 0.00 2.96 -1.08 -4.88 118.68 113.43 3mls s LEU 159 Ca -0.13 -2.23 0.06 0.00 -0.22 0.00 0.00 54.13 51.61 3mls s LEU 159 Cb 0.07 -2.38 0.21 0.00 0.50 0.00 0.00 46.19 44.58 3mls s LEU 159 CO 0.82 -0.98 0.56 0.35 -1.32 0.00 0.00 176.35 175.79 3mls n THR 160 N 5.24 1.12 -3.15 3.68 -2.24 -1.26 -4.39 114.28 113.27 3mls n THR 160 Ca 0.25 -4.65 0.05 0.00 -2.27 0.00 0.00 64.05 57.43 3mls n THR 160 Cb 0.48 -2.04 -0.01 0.00 -2.10 0.00 0.00 70.33 66.66 3mls n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mls s SER 161 N -1.52 -0.66 0.00 3.42 0.15 -1.26 -4.89 113.70 108.94 3mls s SER 161 Ca 0.32 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.24 3mls s SER 161 Cb 0.06 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.87 3mls s SER 161 CO -0.12 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3mls n GLY 162 N 5.35 0.61 3.80 9.45 0.00 -1.26 -4.69 105.19 118.46 3mls n GLY 162 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3mls n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mls s VAL 163 N -2.21 4.49 -0.30 1.61 1.01 -1.26 -1.56 120.40 122.18 3mls s VAL 163 Ca 0.00 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.45 3mls s VAL 163 Cb 0.00 -3.93 0.17 0.00 0.00 0.00 0.00 36.38 32.62 3mls s VAL 163 CO 0.00 0.27 0.46 -2.28 0.00 0.00 0.00 175.10 173.55 3mls s HIS 164 N -1.45 -1.24 -0.28 5.22 2.46 0.37 -4.98 115.29 115.38 3mls s HIS 164 Ca 0.42 0.49 -0.19 0.00 0.47 0.00 0.00 55.06 56.26 3mls s HIS 164 Cb -0.18 -0.02 -0.02 0.00 -0.13 0.00 0.00 32.58 32.23 3mls s HIS 164 CO 0.22 -1.02 0.56 0.99 -2.47 0.00 0.00 174.74 173.02 3mls s THR 165 N 2.57 5.02 0.33 0.89 2.01 -1.26 -1.60 115.64 123.61 3mls s THR 165 Ca 0.10 0.85 -0.19 0.00 0.31 0.00 0.00 61.69 62.76 3mls s THR 165 Cb -0.12 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 3mls s THR 165 CO -0.28 -0.01 0.82 -0.36 -0.69 0.00 0.00 174.62 174.10 3mls s PHE 166 N 2.43 3.45 0.54 4.92 0.40 -0.53 -5.00 117.98 124.18 3mls s PHE 166 Ca 0.23 1.44 -0.22 0.00 -0.60 0.00 0.00 56.93 57.77 3mls s PHE 166 Cb -0.15 -2.69 -0.05 0.00 0.51 0.00 0.00 43.02 40.63 3mls s PHE 166 CO 0.10 0.10 1.38 -2.30 0.70 0.00 0.00 175.22 175.20 3mls n PRO 167 N -0.12 1.77 -1.74 0.24 -0.02 -1.26 -4.29 135.00 129.58 3mls n PRO 167 Ca 0.03 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 3mls n PRO 167 Cb 0.53 -2.60 0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3mls n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mls s ALA 168 N -1.27 2.38 -0.12 3.55 0.00 -1.26 -4.80 121.76 120.24 3mls s ALA 168 Ca 0.71 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.42 3mls s ALA 168 Cb -0.42 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3mls s ALA 168 CO 0.50 -1.41 -0.06 0.54 0.00 0.00 0.00 175.76 175.33 3mls s VAL 169 N -2.04 3.77 -0.28 0.00 0.11 0.99 -4.91 120.40 118.04 3mls s VAL 169 Ca 0.72 -0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 59.18 3mls s VAL 169 Cb -0.25 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.97 3mls s VAL 169 CO 0.40 0.54 0.42 -0.22 -3.33 0.00 0.00 175.10 172.92 3mls s LEU 170 N -0.16 4.08 0.11 2.54 2.96 -1.26 -1.88 118.68 125.06 3mls s LEU 170 Ca 0.02 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 3mls s LEU 170 Cb -0.13 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3mls s LEU 170 CO 0.03 -0.24 0.10 0.00 -1.32 0.00 0.00 176.35 174.92 3mls s GLN 171 N 2.16 2.91 0.50 1.98 -2.07 -0.77 -4.98 119.66 119.39 3mls s GLN 171 Ca 0.17 -0.74 0.43 0.00 -1.82 0.00 0.00 55.36 53.40 3mls s GLN 171 Cb -0.16 -2.71 1.47 0.00 -1.09 0.00 0.00 33.01 30.52 3mls s GLN 171 CO 0.10 0.54 1.36 -1.13 -1.32 0.00 0.00 175.29 174.84 3mls n SER 172 N 0.17 0.00 0.15 12.60 3.41 -1.26 0.22 113.62 128.91 3mls n SER 172 Ca -0.08 0.86 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3mls n SER 172 Cb 0.53 -0.42 0.53 0.00 -0.26 0.00 0.00 64.21 64.59 3mls n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3mls h SER 173 N 0.00 0.00 0.00 4.04 4.64 -2.02 -3.46 113.55 116.75 3mls h SER 173 Ca 0.80 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 3mls h SER 173 Cb 3.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.39 3mls h SER 173 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3mls n GLY 174 N -0.21 1.10 3.95 -0.77 0.00 0.58 -4.86 105.19 104.98 3mls n GLY 174 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3mls n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mls s LEU 175 N 0.00 4.19 0.30 0.99 1.43 -1.24 -4.83 118.68 119.53 3mls s LEU 175 Ca 0.00 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 3mls s LEU 175 Cb 0.00 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3mls s LEU 175 CO 0.00 -0.14 0.44 -0.31 0.23 0.00 0.00 176.35 176.58 3mls s TYR 176 N -2.06 3.28 -0.22 0.29 1.51 -0.39 -1.84 117.35 117.91 3mls s TYR 176 Ca 0.37 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 56.19 3mls s TYR 176 Cb -0.10 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.98 3mls s TYR 176 CO 0.31 0.15 0.57 -1.12 -1.11 0.00 0.00 175.55 174.35 3mls s SER 177 N -4.09 -0.66 0.14 2.29 0.01 -0.79 -1.49 113.70 109.11 3mls s SER 177 Ca 0.41 1.19 -0.08 0.00 1.31 0.00 0.00 55.95 58.78 3mls s SER 177 Cb -0.09 1.14 -0.01 0.00 0.21 0.00 0.00 66.02 67.26 3mls s SER 177 CO 0.31 -0.21 0.22 -1.48 0.41 0.00 0.00 173.24 172.49 3mls s LEU 178 N 0.86 1.24 0.05 2.44 0.05 -0.63 -0.01 118.68 122.69 3mls s LEU 178 Ca -0.04 -0.86 0.02 0.00 0.05 0.00 0.00 54.13 53.29 3mls s LEU 178 Cb -0.05 1.00 -0.03 0.00 -2.05 0.00 0.00 46.19 45.06 3mls s LEU 178 CO -0.07 -0.82 -0.08 -0.44 -0.55 0.00 0.00 176.35 174.40 3mls s SER 179 N -2.95 0.90 -0.04 1.48 0.01 -1.26 -0.60 113.70 111.24 3mls s SER 179 Ca 0.14 -0.64 0.06 0.00 1.31 0.00 0.00 55.95 56.83 3mls s SER 179 Cb 0.04 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 3mls s SER 179 CO -0.03 -0.26 -0.24 -0.55 0.41 0.00 0.00 173.24 172.57 3mls s SER 180 N -1.86 2.93 0.03 2.44 0.15 -0.75 -1.46 113.70 115.18 3mls s SER 180 Ca -0.06 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.17 3mls s SER 180 Cb -0.07 -0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 3mls s SER 180 CO -0.01 0.26 -0.17 0.54 1.20 0.00 0.00 173.24 175.06 3mls s VAL 181 N -0.28 1.33 0.00 4.45 0.11 -0.62 -1.09 120.40 124.30 3mls s VAL 181 Ca 0.01 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 3mls s VAL 181 Cb -0.12 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 3mls s VAL 181 CO 0.02 0.17 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.18 3mls s VAL 182 N -0.69 0.73 -0.21 2.04 1.01 0.16 -0.48 120.40 122.96 3mls s VAL 182 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3mls s VAL 182 Cb -0.08 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3mls s VAL 182 CO 0.01 0.13 -0.04 -0.89 0.00 0.00 0.00 175.10 174.31 3mls s THR 183 N -0.36 3.40 0.21 3.92 2.01 -0.60 -1.08 115.64 123.14 3mls s THR 183 Ca 0.02 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3mls s THR 183 Cb -0.04 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 3mls s THR 183 CO -0.00 0.43 -0.04 0.68 -0.69 0.00 0.00 174.62 175.00 3mls s VAL 184 N 1.35 1.10 0.41 3.82 -7.23 0.17 -4.60 120.40 115.43 3mls s VAL 184 Ca 0.04 -2.05 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 3mls s VAL 184 Cb -0.14 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 3mls s VAL 184 CO -0.02 -0.45 1.41 -2.84 -0.31 0.00 0.00 175.10 172.89 3mls s PRO 185 N -3.82 3.90 0.00 4.82 0.02 -1.26 0.18 135.00 138.84 3mls s PRO 185 Ca 0.25 2.39 0.13 0.00 0.02 0.00 0.00 61.00 63.79 3mls s PRO 185 Cb 0.05 -2.79 0.79 0.00 0.02 0.00 0.00 34.50 32.57 3mls s PRO 185 CO 0.06 -0.63 1.40 0.43 -0.33 0.00 0.00 177.00 177.93 3mls n SER 186 N 0.11 0.00 -1.01 2.53 7.64 -1.23 -2.65 113.62 119.01 3mls n SER 186 Ca 0.03 -1.30 0.12 0.00 1.01 0.00 0.00 58.87 58.73 3mls n SER 186 Cb 0.41 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.76 3mls n SER 186 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mls n SER 187 N -0.74 3.12 0.00 6.43 3.41 -1.26 -4.19 113.62 120.38 3mls n SER 187 Ca 0.10 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3mls n SER 187 Cb 0.05 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3mls n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mls n SER 188 N 1.38 0.42 -0.15 4.04 3.41 -1.08 -4.74 113.62 116.89 3mls n SER 188 Ca 0.16 -0.71 -0.06 0.00 -0.26 0.00 0.00 58.87 58.00 3mls n SER 188 Cb 0.60 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 3mls n SER 188 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3mls h LEU 189 N 0.00 -0.97 0.00 1.04 5.85 -1.73 0.10 115.31 119.61 3mls h LEU 189 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3mls h LEU 189 Cb 0.04 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3mls h LEU 189 CO 0.00 -0.29 -0.09 0.61 -0.34 0.00 0.00 178.44 178.33 3mls n GLY 190 N -1.42 -1.55 0.00 3.75 0.00 -1.26 -4.52 105.19 100.19 3mls n GLY 190 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3mls n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mls n THR 191 N -1.82 0.00 -1.71 2.61 -1.04 -0.15 -4.96 114.28 107.21 3mls n THR 191 Ca 0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 3mls n THR 191 Cb 0.38 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 68.25 3mls n THR 191 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3mls n GLN 192 N -0.82 2.69 -2.98 -2.82 -0.06 0.18 -4.97 117.38 108.59 3mls n GLN 192 Ca 0.00 0.97 -0.38 0.00 -2.00 0.00 0.00 57.00 55.59 3mls n GLN 192 Cb 0.00 -2.81 -0.06 0.00 -4.06 0.00 0.00 30.24 23.30 3mls n GLN 192 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3mls s THR 193 N 1.44 4.38 -0.15 1.69 2.01 -1.26 -4.70 115.64 119.04 3mls s THR 193 Ca 0.77 1.64 0.01 0.00 0.31 0.00 0.00 61.69 64.42 3mls s THR 193 Cb -0.53 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 67.92 3mls s THR 193 CO 0.34 0.41 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.19 3mls s TYR 194 N -1.28 2.74 -0.07 4.92 2.02 -1.25 -4.97 117.35 119.45 3mls s TYR 194 Ca 0.39 -1.20 0.01 0.00 -0.37 0.00 0.00 57.07 55.90 3mls s TYR 194 Cb -0.21 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3mls s TYR 194 CO 0.25 -0.55 -0.07 0.42 -1.57 0.00 0.00 175.55 174.03 3mls s ILE 195 N 0.86 0.84 -0.15 2.71 1.01 -1.26 0.59 121.20 125.79 3mls s ILE 195 Ca -0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 3mls s ILE 195 Cb -0.15 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3mls s ILE 195 CO -0.02 0.31 0.18 0.00 0.00 0.00 0.00 174.94 175.41 3mls s ASN 197 N -0.15 5.02 -0.11 0.00 -0.87 0.22 -2.48 114.94 116.56 3mls s ASN 197 Ca 0.13 -0.19 0.02 0.00 -1.57 0.00 0.00 52.86 51.24 3mls s ASN 197 Cb -0.12 -1.88 -0.01 0.00 -0.02 0.00 0.00 41.25 39.22 3mls s ASN 197 CO 0.02 0.02 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.70 3mls s VAL 198 N 1.30 2.67 -0.05 1.60 1.01 0.10 -1.22 120.40 125.82 3mls s VAL 198 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3mls s VAL 198 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3mls s VAL 198 CO 0.02 0.54 -0.14 0.21 0.00 0.00 0.00 175.10 175.74 3mls s ASN 199 N 0.22 1.89 -0.52 3.32 3.84 -0.14 -0.60 114.94 122.94 3mls s ASN 199 Ca -0.11 -0.31 0.04 0.00 0.21 0.00 0.00 52.86 52.68 3mls s ASN 199 Cb -0.16 -0.72 0.16 0.00 -0.55 0.00 0.00 41.25 39.98 3mls s ASN 199 CO 0.06 0.08 0.35 -2.28 -2.79 0.00 0.00 177.10 172.52 3mls s HIS 200 N 0.39 2.29 0.36 0.43 5.65 0.76 -0.31 115.29 124.85 3mls s HIS 200 Ca -0.10 -2.72 0.11 0.00 0.25 0.00 0.00 55.06 52.60 3mls s HIS 200 Cb -0.14 -1.92 0.87 0.00 -1.18 0.00 0.00 32.58 30.22 3mls s HIS 200 CO 0.03 -0.72 1.84 0.87 -0.65 0.00 0.00 174.74 176.11 3mls h LYS 201 N 6.00 0.62 -0.95 2.88 1.79 -1.81 -1.04 116.57 124.06 3mls h LYS 201 Ca 0.11 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.65 3mls h LYS 201 Cb 0.87 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.30 3mls h LYS 201 CO 0.53 0.41 0.59 -1.35 -1.08 0.00 0.00 179.45 178.55 3mls h PRO 202 N 0.64 0.94 -0.02 3.15 0.11 -1.90 -1.89 132.00 133.03 3mls h PRO 202 Ca 0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3mls h PRO 202 Cb 0.90 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3mls h PRO 202 CO -0.24 0.62 -0.38 -1.13 -0.21 0.00 0.00 178.00 176.66 3mls n SER 203 N -4.64 2.22 -2.69 -2.05 3.41 -1.00 -4.97 113.62 103.90 3mls n SER 203 Ca 0.17 -1.61 -0.12 0.00 -0.26 0.00 0.00 58.87 57.05 3mls n SER 203 Cb 0.30 0.39 0.06 0.00 -0.26 0.00 0.00 64.21 64.70 3mls n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mls n ASN 204 N 0.25 -2.69 -4.01 4.04 4.05 -0.49 -4.83 115.26 111.58 3mls n ASN 204 Ca 0.10 -0.44 -0.31 0.00 0.45 0.00 0.00 54.58 54.38 3mls n ASN 204 Cb 0.49 -3.73 -0.16 0.00 1.23 0.00 0.00 39.78 37.62 3mls n ASN 204 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3mls s THR 205 N -3.25 1.68 -0.09 -0.44 2.01 -0.65 -5.01 115.64 109.89 3mls s THR 205 Ca 0.07 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.13 3mls s THR 205 Cb -0.01 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 3mls s THR 205 CO 0.51 0.23 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.92 3mls s LYS 206 N 1.39 2.89 0.00 4.92 1.02 -1.26 -0.17 119.74 128.53 3mls s LYS 206 Ca -0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.17 3mls s LYS 206 Cb -0.16 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3mls s LYS 206 CO -0.09 0.31 -0.01 0.08 -0.92 0.00 0.00 175.35 174.72 3mls s VAL 207 N 0.04 0.10 -0.09 3.17 1.01 0.23 -5.01 120.40 119.86 3mls s VAL 207 Ca -0.08 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3mls s VAL 207 Cb -0.15 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.12 3mls s VAL 207 CO 0.05 -0.03 -0.18 -1.81 0.00 0.00 0.00 175.10 173.13 3mls s ASP 208 N -0.19 2.50 -0.03 3.32 -0.00 -1.26 -0.72 116.67 120.29 3mls s ASP 208 Ca -0.01 -0.44 -0.00 0.00 -0.00 0.00 0.00 52.55 52.09 3mls s ASP 208 Cb -0.01 -1.15 0.03 0.00 -0.00 0.00 0.00 42.92 41.79 3mls s ASP 208 CO -0.00 0.09 0.02 -0.75 -0.00 0.00 0.00 175.17 174.53 3mls s LYS 209 N 0.54 0.15 0.43 8.23 2.47 -1.04 -5.00 119.74 125.52 3mls s LYS 209 Ca -0.16 0.16 -0.22 0.00 -1.56 0.00 0.00 55.97 54.19 3mls s LYS 209 Cb -0.17 -0.43 -0.10 0.00 -1.46 0.00 0.00 37.83 35.67 3mls s LYS 209 CO 0.06 -0.18 0.98 0.15 0.16 0.00 0.00 175.35 176.51 3mls s LYS 210 N 1.25 4.17 -0.17 4.03 1.02 -1.26 -2.09 119.74 126.68 3mls s LYS 210 Ca -0.07 1.24 0.01 0.00 0.02 0.00 0.00 55.97 57.17 3mls s LYS 210 Cb -0.13 -2.28 0.03 0.00 -0.52 0.00 0.00 37.83 34.93 3mls s LYS 210 CO -0.03 -0.10 -0.13 0.08 -0.92 0.00 0.00 175.35 174.26 3mls s VAL 211 N -2.01 1.65 0.09 3.17 1.01 0.20 -4.84 120.40 119.66 3mls s VAL 211 Ca 0.61 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3mls s VAL 211 Cb -0.13 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3mls s VAL 211 CO 0.17 0.35 -0.08 -1.61 0.00 0.00 0.00 175.10 173.93 3mls s GLU 212 N 1.43 0.80 0.95 2.72 2.02 -1.26 -3.92 118.70 121.43 3mls s GLU 212 Ca 0.02 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 53.73 3mls s GLU 212 Cb -0.14 -0.38 0.12 0.00 0.10 0.00 0.00 34.13 33.83 3mls s GLU 212 CO -0.10 0.04 0.87 -0.35 0.02 0.00 0.00 175.26 175.74 3mls n PRO 213 N 0.46 -0.55 0.00 0.39 -0.04 -1.26 -3.71 135.00 130.29 3mls n PRO 213 Ca -0.15 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 3mls n PRO 213 Cb 0.58 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 3mls n PRO 213 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mls n LYS 214 N -3.40 0.00 0.00 0.54 4.76 -1.26 -4.99 118.16 113.81 3mls n LYS 214 Ca 0.09 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 3mls n LYS 214 Cb 0.53 0.00 0.14 0.00 -1.84 0.00 0.00 35.03 33.86 3mls n LYS 214 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46