#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlr s VAL 2 N 0.00 4.24 0.20 2.62 1.01 -1.26 -3.73 120.40 123.48 3mlr s VAL 2 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 3mlr s VAL 2 Cb 0.00 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.11 3mlr s VAL 2 CO 0.00 -0.59 0.89 0.00 0.00 0.00 0.00 175.10 175.40 3mlr s GLN 3 N 4.12 1.39 -0.11 2.72 -2.07 -0.54 -4.98 119.66 120.19 3mlr s GLN 3 Ca 0.52 -0.78 0.01 0.00 -1.82 0.00 0.00 55.36 53.30 3mlr s GLN 3 Cb -0.13 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.27 3mlr s GLN 3 CO 0.23 -0.64 -0.14 -0.51 -1.32 0.00 0.00 175.29 172.92 3mlr s LEU 4 N -2.95 1.63 -0.21 2.60 1.43 -1.26 -1.82 118.68 118.10 3mlr s LEU 4 Ca 0.12 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3mlr s LEU 4 Cb -0.03 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.18 3mlr s LEU 4 CO 0.04 -0.01 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 3mlr s VAL 5 N 1.13 2.38 0.35 -1.59 1.01 0.14 -4.09 120.40 119.73 3mlr s VAL 5 Ca -0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3mlr s VAL 5 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3mlr s VAL 5 CO -0.03 0.37 0.58 -1.61 0.00 0.00 0.00 175.10 174.41 3mlr s GLU 6 N 1.29 3.52 0.97 2.72 2.02 -1.26 -0.76 118.70 127.20 3mlr s GLU 6 Ca 0.02 -0.20 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 3mlr s GLU 6 Cb -0.15 -2.62 0.17 0.00 0.10 0.00 0.00 34.13 31.63 3mlr s GLU 6 CO -0.09 0.11 1.08 -1.54 0.02 0.00 0.00 175.26 174.85 3mlr s SER 7 N -3.88 2.71 0.63 -0.19 1.04 -0.66 -4.98 113.70 108.37 3mlr s SER 7 Ca 0.42 1.55 -0.16 0.00 0.48 0.00 0.00 55.95 58.23 3mlr s SER 7 Cb -0.10 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 3mlr s SER 7 CO 0.36 -3.13 1.12 -0.83 0.98 0.00 0.00 173.24 171.75 3mlr s GLY 8 N -3.12 2.31 0.59 7.32 0.00 -1.26 -4.62 107.32 108.55 3mlr s GLY 8 Ca 0.65 0.65 -0.19 0.00 0.00 0.00 0.00 44.72 45.83 3mlr s GLY 8 CO 0.59 1.01 1.23 -0.32 0.00 0.00 0.00 173.10 175.61 3mlr s GLY 9 N -2.30 2.78 0.01 0.20 0.00 -1.26 -4.81 107.32 101.93 3mlr s GLY 9 Ca 0.69 1.07 -0.05 0.00 0.00 0.00 0.00 44.72 46.44 3mlr s GLY 9 CO 0.37 1.48 0.08 -0.54 0.00 0.00 0.00 173.10 174.49 3mlr s GLU 10 N -3.27 0.45 -0.22 2.90 2.02 -0.42 -4.96 118.70 115.19 3mlr s GLU 10 Ca 0.77 -0.54 -0.07 0.00 0.02 0.00 0.00 54.97 55.16 3mlr s GLU 10 Cb -0.32 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.05 3mlr s GLU 10 CO 0.35 -0.10 0.05 0.08 0.02 0.00 0.00 175.26 175.66 3mlr s VAL 11 N -1.64 4.32 0.21 2.63 1.01 -1.26 -1.48 120.40 124.20 3mlr s VAL 11 Ca -0.13 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3mlr s VAL 11 Cb -0.07 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 3mlr s VAL 11 CO -0.00 0.39 -0.17 -0.54 0.00 0.00 0.00 175.10 174.78 3mlr s LYS 12 N 1.17 1.40 0.07 2.72 -0.14 0.64 -4.97 119.74 120.63 3mlr s LYS 12 Ca 0.04 -1.59 -0.05 0.00 -1.36 0.00 0.00 55.97 53.01 3mlr s LYS 12 Cb -0.14 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.64 3mlr s LYS 12 CO 0.03 0.24 0.30 -0.65 -0.76 0.00 0.00 175.35 174.50 3mlr s GLN 13 N -3.43 3.57 0.54 1.68 -1.52 -1.26 -0.72 119.66 118.52 3mlr s GLN 13 Ca 0.23 -0.15 -0.21 0.00 -1.95 0.00 0.00 55.36 53.27 3mlr s GLN 13 Cb -0.03 -2.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.73 3mlr s GLN 13 CO 0.09 0.58 1.30 -1.25 -0.25 0.00 0.00 175.29 175.75 3mlr s PRO 14 N -2.24 3.18 0.00 2.91 0.04 -1.26 -2.28 135.00 135.35 3mlr s PRO 14 Ca 0.34 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3mlr s PRO 14 Cb -0.13 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3mlr s PRO 14 CO 0.22 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.55 3mlr n GLY 15 N 0.67 3.13 3.87 0.56 0.00 0.75 -4.92 105.19 109.25 3mlr n GLY 15 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3mlr n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mlr s GLN 16 N -0.83 3.66 0.50 1.61 -0.21 -0.97 -4.43 119.66 119.00 3mlr s GLN 16 Ca 0.00 0.70 -0.03 0.00 0.02 0.00 0.00 55.36 56.05 3mlr s GLN 16 Cb 0.00 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 3mlr s GLN 16 CO 0.00 -0.45 0.77 -1.54 -2.12 0.00 0.00 175.29 171.95 3mlr s SER 17 N -3.94 5.84 -0.21 5.90 1.04 -1.26 -0.39 113.70 120.68 3mlr s SER 17 Ca 0.54 0.57 -0.27 0.00 0.48 0.00 0.00 55.95 57.27 3mlr s SER 17 Cb -0.11 -1.75 0.07 0.00 0.10 0.00 0.00 66.02 64.33 3mlr s SER 17 CO 0.48 -0.79 0.72 -0.22 0.98 0.00 0.00 173.24 174.41 3mlr s LEU 18 N -4.74 -0.71 -0.07 2.42 2.96 -0.81 -4.93 118.68 112.80 3mlr s LEU 18 Ca 0.50 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.59 3mlr s LEU 18 Cb -0.10 2.47 0.04 0.00 0.50 0.00 0.00 46.19 49.10 3mlr s LEU 18 CO 0.42 -0.35 0.14 -0.75 -1.32 0.00 0.00 176.35 174.48 3mlr s LYS 19 N -0.09 0.01 0.20 1.98 2.20 -1.26 0.25 119.74 123.03 3mlr s LYS 19 Ca -0.03 0.50 0.09 0.00 -0.36 0.00 0.00 55.97 56.17 3mlr s LYS 19 Cb -0.04 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3mlr s LYS 19 CO 0.03 -0.30 -0.07 0.96 -0.36 0.00 0.00 175.35 175.62 3mlr s ILE 20 N 2.17 3.31 0.28 5.43 -4.36 -0.19 -4.97 121.20 122.87 3mlr s ILE 20 Ca 0.03 -1.69 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 3mlr s ILE 20 Cb -0.12 -2.67 -0.06 0.00 1.25 0.00 0.00 42.46 40.86 3mlr s ILE 20 CO -0.05 -0.17 -0.06 -0.94 0.24 0.00 0.00 174.94 173.96 3mlr s SER 21 N -3.02 2.74 -0.23 4.36 1.04 -1.26 -1.75 113.70 115.58 3mlr s SER 21 Ca 0.27 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 3mlr s SER 21 Cb -0.08 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 65.97 3mlr s SER 21 CO 0.17 -0.34 0.19 0.00 0.98 0.00 0.00 173.24 174.24 3mlr s LYS 23 N 2.26 4.15 0.02 0.00 2.20 0.07 -0.92 119.74 127.52 3mlr s LYS 23 Ca 0.07 0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.97 3mlr s LYS 23 Cb -0.16 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3mlr s LYS 23 CO -0.19 -0.17 0.22 0.45 -0.36 0.00 0.00 175.35 175.30 3mlr s SER 24 N 1.23 6.40 0.13 1.43 0.15 0.06 -0.69 113.70 122.41 3mlr s SER 24 Ca 0.22 0.39 -0.21 0.00 0.70 0.00 0.00 55.95 57.04 3mlr s SER 24 Cb -0.15 -2.02 0.06 0.00 -1.71 0.00 0.00 66.02 62.20 3mlr s SER 24 CO 0.09 0.22 0.54 -0.94 1.20 0.00 0.00 173.24 174.36 3mlr s SER 25 N -2.06 -0.47 0.00 5.45 1.04 -0.75 -4.83 113.70 112.06 3mlr s SER 25 Ca 0.30 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3mlr s SER 25 Cb -0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3mlr s SER 25 CO 0.21 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3mlr n GLY 26 N -0.20 0.82 3.75 7.32 0.00 -1.24 -1.47 105.19 114.16 3mlr n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3mlr n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mlr s TYR 27 N -2.40 0.21 -0.75 1.61 -0.85 -1.26 -4.59 117.35 109.32 3mlr s TYR 27 Ca 0.00 -0.73 -0.26 0.00 -0.52 0.00 0.00 57.07 55.56 3mlr s TYR 27 Cb 0.00 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.95 3mlr s TYR 27 CO 0.00 -1.36 1.56 -0.80 -1.52 0.00 0.00 175.55 173.44 3mlr s ASN 28 N -3.05 5.80 0.30 -0.18 0.01 -1.26 -4.87 114.94 111.69 3mlr s ASN 28 Ca 0.17 -0.33 0.06 0.00 -0.71 0.00 0.00 52.86 52.06 3mlr s ASN 28 Cb -0.04 -2.55 0.77 0.00 0.41 0.00 0.00 41.25 39.83 3mlr s ASN 28 CO 0.11 -2.07 1.74 0.15 -1.51 0.00 0.00 177.10 175.53 3mlr h PHE 29 N 11.81 0.95 0.00 2.20 3.57 -1.95 -2.54 116.94 130.98 3mlr h PHE 29 Ca -0.18 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 3mlr h PHE 29 Cb 1.08 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3mlr h PHE 29 CO 1.13 0.12 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.96 3mlr h LEU 30 N 0.62 0.00 -0.89 0.59 3.38 -1.92 -3.30 115.31 113.80 3mlr h LEU 30 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 3mlr h LEU 30 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3mlr h LEU 30 CO -0.44 0.30 -0.01 0.47 0.09 0.00 0.00 178.44 178.85 3mlr n ASP 31 N -4.16 1.39 -4.19 -0.43 10.43 -0.96 -2.06 116.55 116.58 3mlr n ASP 31 Ca -0.02 -1.44 -0.28 0.00 2.57 0.00 0.00 54.79 55.61 3mlr n ASP 31 Cb 0.35 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 43.15 3mlr n ASP 31 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3mlr s SER 32 N -2.02 2.53 0.59 -2.24 0.01 -1.24 -5.02 113.70 106.31 3mlr s SER 32 Ca 0.38 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 57.02 3mlr s SER 32 Cb 0.21 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 3mlr s SER 32 CO 0.34 0.19 1.33 0.26 0.41 0.00 0.00 173.24 175.77 3mlr s TRP 33 N -0.02 2.20 -0.11 2.43 0.52 -1.25 -4.39 118.94 118.31 3mlr s TRP 33 Ca -0.04 1.42 0.01 0.00 0.02 0.00 0.00 56.10 57.52 3mlr s TRP 33 Cb -0.13 -3.75 -0.01 0.00 -1.15 0.00 0.00 33.47 28.44 3mlr s TRP 33 CO 0.03 -2.89 -0.16 0.42 0.02 0.00 0.00 176.95 174.37 3mlr s ILE 34 N -1.35 2.78 0.24 2.03 -1.09 -0.05 -1.32 121.20 122.44 3mlr s ILE 34 Ca 0.76 -0.77 0.09 0.00 -2.23 0.00 0.00 60.65 58.51 3mlr s ILE 34 Cb -0.39 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 3mlr s ILE 34 CO 0.44 0.54 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.85 3mlr s GLY 35 N 0.21 1.67 -0.03 6.18 0.00 0.18 -0.88 107.32 114.66 3mlr s GLY 35 Ca -0.10 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.09 3mlr s GLY 35 CO 0.06 -1.62 -0.16 -0.98 0.00 0.00 0.00 173.10 170.40 3mlr s TRP 36 N -2.12 1.50 -0.00 1.90 0.52 0.05 -0.50 118.94 120.28 3mlr s TRP 36 Ca 0.30 -0.35 -0.00 0.00 0.02 0.00 0.00 56.10 56.06 3mlr s TRP 36 Cb -0.07 -0.99 -0.00 0.00 -1.15 0.00 0.00 33.47 31.26 3mlr s TRP 36 CO 0.19 -0.09 0.00 0.08 0.02 0.00 0.00 176.95 177.16 3mlr s VAL 37 N -0.15 0.00 0.05 4.03 1.01 -0.10 -0.82 120.40 124.42 3mlr s VAL 37 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.03 3mlr s VAL 37 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 3mlr s VAL 37 CO 0.01 -0.02 -0.13 -0.60 0.00 0.00 0.00 175.10 174.36 3mlr s ARG 38 N -0.04 2.19 -0.15 2.72 3.52 0.86 -0.06 118.95 127.98 3mlr s ARG 38 Ca -0.01 -0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 54.62 3mlr s ARG 38 Cb -0.00 -2.29 0.05 0.00 -1.56 0.00 0.00 34.95 31.15 3mlr s ARG 38 CO -0.00 0.55 0.06 -1.14 -0.81 0.00 0.00 175.30 173.96 3mlr s GLN 39 N -1.62 0.25 0.16 5.12 0.74 0.17 -0.28 119.66 124.21 3mlr s GLN 39 Ca 0.17 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.17 3mlr s GLN 39 Cb -0.11 -1.70 -0.07 0.00 1.10 0.00 0.00 33.01 32.23 3mlr s GLN 39 CO 0.08 -0.60 1.16 0.42 -0.55 0.00 0.00 175.29 175.80 3mlr s ILE 40 N 2.05 3.76 -0.31 -2.34 1.01 -1.26 -1.34 121.20 122.77 3mlr s ILE 40 Ca 0.02 1.46 -0.43 0.00 0.00 0.00 0.00 60.65 61.70 3mlr s ILE 40 Cb -0.16 -3.93 -0.18 0.00 0.01 0.00 0.00 42.46 38.20 3mlr s ILE 40 CO -0.08 0.22 1.57 -2.65 0.00 0.00 0.00 174.94 174.01 3mlr n PRO 41 N 2.67 0.54 -0.67 2.79 -0.02 -1.26 0.20 135.00 139.25 3mlr n PRO 41 Ca 0.04 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3mlr n PRO 41 Cb 0.45 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3mlr n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlr n GLY 42 N 3.67 0.90 2.79 -1.23 0.00 -1.26 -5.03 105.19 105.02 3mlr n GLY 42 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 3mlr n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlr n LYS 43 N -2.00 0.98 -0.73 1.61 4.76 0.13 -5.16 118.16 117.76 3mlr n LYS 43 Ca 0.00 -2.69 -0.08 0.00 -2.87 0.00 0.00 58.31 52.68 3mlr n LYS 43 Cb 0.00 0.52 0.05 0.00 -1.84 0.00 0.00 35.03 33.76 3mlr n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mlr n GLY 44 N 0.25 -0.60 3.72 0.72 0.00 -1.26 -4.66 105.19 103.36 3mlr n GLY 44 Ca -0.09 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 3mlr n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlr s LEU 45 N 0.00 4.31 -0.17 0.99 1.43 -1.26 -4.24 118.68 119.74 3mlr s LEU 45 Ca 0.20 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3mlr s LEU 45 Cb -0.01 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.22 3mlr s LEU 45 CO 0.14 -0.09 -0.19 -0.70 0.23 0.00 0.00 176.35 175.74 3mlr s GLU 46 N 0.76 3.07 0.19 1.70 2.12 0.62 -4.96 118.70 122.20 3mlr s GLU 46 Ca 0.35 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 3mlr s GLU 46 Cb -0.17 -2.57 -0.08 0.00 0.26 0.00 0.00 34.13 31.57 3mlr s GLU 46 CO 0.17 -0.10 1.18 -0.46 -0.54 0.00 0.00 175.26 175.50 3mlr s TRP 47 N 1.06 3.45 -0.21 5.30 -0.00 -1.26 -0.10 118.94 127.18 3mlr s TRP 47 Ca -0.01 1.46 -0.09 0.00 -0.00 0.00 0.00 56.10 57.46 3mlr s TRP 47 Cb -0.14 -3.41 -0.10 0.00 -0.00 0.00 0.00 33.47 29.82 3mlr s TRP 47 CO -0.06 -1.10 -0.26 -0.89 -0.00 0.00 0.00 176.95 174.63 3mlr n ILE 48 N 2.42 1.17 0.00 5.86 5.41 0.00 -4.69 119.36 129.53 3mlr n ILE 48 Ca 0.04 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3mlr n ILE 48 Cb 0.45 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 3mlr n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mlr n GLY 49 N 1.79 -0.51 3.06 7.39 0.00 -1.16 -0.86 105.19 114.90 3mlr n GLY 49 Ca -0.41 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 3mlr n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mlr s ILE 50 N -2.00 0.47 -0.06 -0.61 -4.36 -0.33 -0.77 121.20 113.54 3mlr s ILE 50 Ca 0.00 -1.16 -0.05 0.00 -0.26 0.00 0.00 60.65 59.18 3mlr s ILE 50 Cb 0.00 -0.68 0.01 0.00 1.25 0.00 0.00 42.46 43.04 3mlr s ILE 50 CO 0.00 -0.47 0.15 -0.51 0.24 0.00 0.00 174.94 174.35 3mlr s ILE 51 N -1.69 0.00 -0.40 8.37 2.07 -0.06 -1.54 121.20 127.94 3mlr s ILE 51 Ca -0.08 -0.01 -0.17 0.00 -1.41 0.00 0.00 60.65 58.98 3mlr s ILE 51 Cb -0.08 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.31 3mlr s ILE 51 CO -0.01 -0.00 0.43 -0.47 -1.91 0.00 0.00 174.94 172.98 3mlr s TYR 52 N 0.06 3.17 0.35 3.50 5.04 -0.04 -0.87 117.35 128.56 3mlr s TYR 52 Ca -0.00 -0.28 0.11 0.00 -2.44 0.00 0.00 57.07 54.46 3mlr s TYR 52 Cb -0.01 -2.87 0.90 0.00 0.35 0.00 0.00 41.96 40.34 3mlr s TYR 52 CO 0.00 -0.65 1.78 -1.35 -1.34 0.00 0.00 175.55 173.99 3mlr h PRO 52 N 8.67 0.58 -0.42 4.97 0.11 -1.77 0.61 132.00 144.76 3mlr h PRO 52 Ca -0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3mlr h PRO 52 Cb 1.12 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3mlr h PRO 52 CO 0.78 0.38 0.22 0.22 -0.21 0.00 0.00 178.00 179.39 3mlr h ASP 53 N 0.59 0.51 0.00 -2.05 3.58 -1.71 -3.34 116.42 114.00 3mlr h ASP 53 Ca 0.58 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.00 3mlr h ASP 53 Cb 1.14 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.06 3mlr h ASP 53 CO -0.35 0.42 0.00 -0.90 -2.88 0.00 0.00 179.24 175.53 3mlr n ASP 54 N -4.42 0.26 -1.18 2.28 3.85 -1.03 -5.03 116.55 111.29 3mlr n ASP 54 Ca 0.03 -1.05 -0.15 0.00 -0.71 0.00 0.00 54.79 52.90 3mlr n ASP 54 Cb 0.10 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.81 3mlr n ASP 54 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mlr n SER 55 N -0.03 -4.88 -4.77 -1.12 7.64 0.21 -4.97 113.62 105.71 3mlr n SER 55 Ca 0.00 0.38 -0.41 0.00 1.01 0.00 0.00 58.87 59.85 3mlr n SER 55 Cb 0.26 -3.73 -0.01 0.00 -1.01 0.00 0.00 64.21 59.72 3mlr n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mlr s ASP 56 N -2.82 6.49 0.02 6.43 -1.08 -1.23 -4.70 116.67 119.77 3mlr s ASP 56 Ca 0.00 2.91 -0.04 0.00 -0.52 0.00 0.00 52.55 54.90 3mlr s ASP 56 Cb 0.00 -2.65 -0.01 0.00 -1.46 0.00 0.00 42.92 38.79 3mlr s ASP 56 CO 0.00 -0.78 0.06 0.00 0.52 0.00 0.00 175.17 174.97 3mlr s ALA 57 N -0.85 -0.04 -0.08 3.66 0.00 -1.26 -0.87 121.76 122.32 3mlr s ALA 57 Ca 0.54 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3mlr s ALA 57 Cb -0.44 0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3mlr s ALA 57 CO 0.56 -0.24 -0.07 -1.01 0.00 0.00 0.00 175.76 175.00 3mlr s HIS 58 N -1.97 1.26 0.21 0.00 3.76 -0.59 -5.01 115.29 112.94 3mlr s HIS 58 Ca -0.11 -0.53 0.08 0.00 -0.15 0.00 0.00 55.06 54.35 3mlr s HIS 58 Cb -0.05 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.55 3mlr s HIS 58 CO -0.02 -0.37 0.02 0.71 -0.85 0.00 0.00 174.74 174.23 3mlr s TYR 59 N 1.32 2.83 0.11 1.40 1.51 -1.26 -1.19 117.35 122.08 3mlr s TYR 59 Ca -0.03 -0.16 -0.27 0.00 -1.01 0.00 0.00 57.07 55.60 3mlr s TYR 59 Cb -0.14 -1.33 -0.06 0.00 -0.11 0.00 0.00 41.96 40.32 3mlr s TYR 59 CO -0.03 0.55 0.86 0.45 -1.11 0.00 0.00 175.55 176.26 3mlr s SER 60 N -3.24 7.40 0.60 2.29 0.15 -0.04 -4.90 113.70 115.96 3mlr s SER 60 Ca 0.29 1.66 0.29 0.00 0.70 0.00 0.00 55.95 58.90 3mlr s SER 60 Cb -0.08 -2.53 1.63 0.00 -1.71 0.00 0.00 66.02 63.33 3mlr s SER 60 CO 0.20 0.04 2.04 -0.65 1.20 0.00 0.00 173.24 176.07 3mlr h PRO 61 N 5.20 0.00 0.00 5.44 0.11 -1.93 0.92 132.00 141.74 3mlr h PRO 61 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3mlr h PRO 61 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3mlr h PRO 61 CO 0.70 0.00 -0.29 0.77 -0.21 0.00 0.00 178.00 178.97 3mlr h SER 62 N 0.00 0.00 0.00 -2.05 0.02 -1.92 -3.31 113.55 106.30 3mlr h SER 62 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3mlr h SER 62 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3mlr h SER 62 CO -0.00 0.29 -0.78 0.49 -1.14 0.00 0.00 176.83 175.69 3mlr n PHE 63 N -3.42 0.00 -1.66 3.45 3.72 0.13 -4.96 117.46 114.73 3mlr n PHE 63 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 3mlr n PHE 63 Cb 0.48 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 3mlr n PHE 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3mlr n GLU 64 N -1.43 1.85 -0.54 -1.08 1.02 -0.09 -1.45 120.64 118.91 3mlr n GLU 64 Ca 0.00 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3mlr n GLU 64 Cb 0.14 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3mlr n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mlr n GLY 65 N 1.43 0.83 0.07 0.62 0.00 -1.26 -4.69 105.19 102.18 3mlr n GLY 65 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3mlr n GLY 65 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3mlr n GLN 66 N -2.00 1.54 -4.08 1.61 7.27 -0.53 -5.01 117.38 116.17 3mlr n GLN 66 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 3mlr n GLN 66 Cb 0.00 -1.37 -0.10 0.00 2.41 0.00 0.00 30.24 31.18 3mlr n GLN 66 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3mlr s VAL 67 N -2.35 0.36 -0.05 1.69 0.11 -1.00 -4.66 120.40 114.51 3mlr s VAL 67 Ca -0.09 -1.56 0.03 0.00 -2.93 0.00 0.00 61.98 57.43 3mlr s VAL 67 Cb 0.04 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 3mlr s VAL 67 CO 0.57 -0.78 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.52 3mlr s THR 68 N -3.01 1.29 -0.03 5.04 2.01 0.01 -4.79 115.64 116.16 3mlr s THR 68 Ca 0.01 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 3mlr s THR 68 Cb 0.01 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 3mlr s THR 68 CO -0.05 0.38 0.21 -0.04 -0.69 0.00 0.00 174.62 174.43 3mlr s MET 69 N 0.26 3.52 0.26 4.92 -1.94 -1.26 -1.14 119.30 123.90 3mlr s MET 69 Ca -0.08 -0.13 -0.17 0.00 -1.71 0.00 0.00 55.69 53.60 3mlr s MET 69 Cb -0.13 -3.12 0.01 0.00 2.01 0.00 0.00 34.83 33.60 3mlr s MET 69 CO 0.03 0.70 0.59 -1.54 -0.01 0.00 0.00 175.02 174.79 3mlr s SER 70 N -1.54 -0.19 0.05 3.03 1.04 -0.94 -5.01 113.70 110.14 3mlr s SER 70 Ca 0.24 -0.73 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 3mlr s SER 70 Cb -0.13 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3mlr s SER 70 CO 0.13 -1.22 0.12 0.68 0.98 0.00 0.00 173.24 173.93 3mlr s VAL 71 N -3.96 0.14 -0.34 5.02 -7.23 -1.26 -0.64 120.40 112.14 3mlr s VAL 71 Ca 0.16 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3mlr s VAL 71 Cb -0.03 -1.08 0.10 0.00 0.56 0.00 0.00 36.38 35.93 3mlr s VAL 71 CO 0.07 -0.64 0.08 -0.62 -0.31 0.00 0.00 175.10 173.67 3mlr s ASP 72 N -2.39 4.49 0.36 4.85 3.68 -0.11 -4.99 116.67 122.56 3mlr s ASP 72 Ca -0.01 -2.04 0.08 0.00 2.13 0.00 0.00 52.55 52.70 3mlr s ASP 72 Cb 0.01 -1.37 0.79 0.00 -1.45 0.00 0.00 42.92 40.90 3mlr s ASP 72 CO -0.07 -0.38 1.92 0.11 0.13 0.00 0.00 175.17 176.88 3mlr h LYS 73 N 7.69 0.69 0.00 4.34 1.57 -1.89 -2.42 116.57 126.55 3mlr h LYS 73 Ca -0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3mlr h LYS 73 Cb 1.01 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 3mlr h LYS 73 CO 0.51 0.46 -0.03 0.66 -0.57 0.00 0.00 179.45 180.48 3mlr h SER 74 N 0.71 0.00 0.00 0.86 4.64 -1.96 -2.96 113.55 114.85 3mlr h SER 74 Ca 0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3mlr h SER 74 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3mlr h SER 74 CO -0.15 0.03 -0.16 2.30 -0.87 0.00 0.00 176.83 177.98 3mlr n ILE 75 N -4.33 1.93 -4.21 0.95 -5.35 -0.94 -5.00 119.36 102.42 3mlr n ILE 75 Ca -0.03 -2.49 -0.32 0.00 -0.27 0.00 0.00 62.75 59.64 3mlr n ILE 75 Cb 0.11 -0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 37.74 3mlr n ILE 75 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3mlr n SER 76 N -1.31 -0.63 -4.19 7.28 7.64 -1.06 -4.77 113.62 116.58 3mlr n SER 76 Ca 0.16 -1.13 -0.27 0.00 1.01 0.00 0.00 58.87 58.64 3mlr n SER 76 Cb 0.66 -2.30 -0.16 0.00 -1.01 0.00 0.00 64.21 61.40 3mlr n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mlr s THR 77 N -3.89 1.57 -0.01 0.44 2.01 -1.14 -0.76 115.64 113.86 3mlr s THR 77 Ca 0.25 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.46 3mlr s THR 77 Cb -0.14 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 3mlr s THR 77 CO 0.95 0.45 -0.13 0.00 -0.69 0.00 0.00 174.62 175.20 3mlr s ALA 78 N -0.30 2.77 0.16 7.40 0.00 -0.10 -0.94 121.76 130.76 3mlr s ALA 78 Ca 0.04 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3mlr s ALA 78 Cb -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3mlr s ALA 78 CO 0.00 0.58 -0.14 0.71 0.00 0.00 0.00 175.76 176.91 3mlr s TYR 79 N -0.88 1.56 -0.09 0.00 1.51 0.19 -0.36 117.35 119.28 3mlr s TYR 79 Ca 0.14 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 3mlr s TYR 79 Cb -0.11 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.99 3mlr s TYR 79 CO 0.04 0.24 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.47 3mlr s LEU 80 N -2.88 1.35 0.03 -1.29 2.96 -0.71 -2.22 118.68 115.91 3mlr s LEU 80 Ca 0.16 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3mlr s LEU 80 Cb -0.03 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 3mlr s LEU 80 CO 0.05 -0.06 -0.10 0.00 -1.32 0.00 0.00 176.35 174.92 3mlr s GLN 81 N 1.23 0.70 0.00 1.98 -2.07 -0.30 -1.02 119.66 120.17 3mlr s GLN 81 Ca -0.04 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 3mlr s GLN 81 Cb -0.14 -0.63 0.00 0.00 -1.09 0.00 0.00 33.01 31.15 3mlr s GLN 81 CO -0.03 0.15 0.00 0.91 -1.32 0.00 0.00 175.29 175.01 3mlr n TRP 82 N 2.08 -0.27 -1.53 9.60 8.01 0.14 -0.81 117.44 134.65 3mlr n TRP 82 Ca -0.18 0.00 -0.49 0.00 -1.31 0.00 0.00 57.50 55.52 3mlr n TRP 82 Cb 0.56 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.80 3mlr n TRP 82 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.69 179.09 3mlr n THR 82 N -0.09 0.30 -2.51 -0.99 -1.04 -1.26 -1.93 114.28 106.76 3mlr n THR 82 Ca 0.00 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 3mlr n THR 82 Cb 0.00 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 3mlr n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3mlr s LEU 82 N 6.78 3.82 0.15 -4.42 1.43 0.47 -4.79 118.68 122.12 3mlr s LEU 82 Ca 1.04 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 56.12 3mlr s LEU 82 Cb -0.72 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 40.90 3mlr s LEU 82 CO 0.47 -0.80 -0.14 -1.10 0.23 0.00 0.00 176.35 175.01 3mlr s GLN 83 N -3.30 1.11 0.48 1.70 -0.21 -1.26 -0.18 119.66 118.01 3mlr s GLN 83 Ca 0.67 -1.36 0.19 0.00 0.02 0.00 0.00 55.36 54.89 3mlr s GLN 83 Cb -0.16 -0.94 1.22 0.00 1.00 0.00 0.00 33.01 34.12 3mlr s GLN 83 CO 0.21 0.17 1.99 0.00 -2.12 0.00 0.00 175.29 175.54 3mlr h ALA 84 N 3.18 2.25 0.00 6.09 0.00 -1.97 0.20 119.26 129.01 3mlr h ALA 84 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3mlr h ALA 84 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mlr h ALA 84 CO 0.55 -0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 3mlr n SER 85 N -4.44 0.00 -0.19 0.00 3.41 -1.26 -2.05 113.62 109.09 3mlr n SER 85 Ca 0.10 -0.19 0.13 0.00 -0.26 0.00 0.00 58.87 58.65 3mlr n SER 85 Cb 0.49 -0.17 0.42 0.00 -0.26 0.00 0.00 64.21 64.69 3mlr n SER 85 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mlr n ASP 86 N -1.17 0.83 -4.72 4.04 8.00 0.70 -4.92 116.55 119.31 3mlr n ASP 86 Ca 0.10 -0.73 -0.41 0.00 0.71 0.00 0.00 54.79 54.45 3mlr n ASP 86 Cb 0.10 0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 3mlr n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mlr n THR 87 N -0.81 2.34 0.00 -3.53 -1.04 -0.87 -4.89 114.28 105.48 3mlr n THR 87 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3mlr n THR 87 Cb 0.33 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 3mlr n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mlr n GLY 88 N 0.70 2.66 3.64 3.41 0.00 0.29 -4.78 105.19 111.10 3mlr n GLY 88 Ca 0.05 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3mlr n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mlr s LYS 89 N -2.05 4.13 -0.23 1.61 2.20 -0.45 -0.95 119.74 124.00 3mlr s LYS 89 Ca 0.00 0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.83 3mlr s LYS 89 Cb 0.00 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3mlr s LYS 89 CO 0.00 -0.21 0.10 0.71 -0.36 0.00 0.00 175.35 175.59 3mlr s TYR 90 N 1.84 3.20 -0.03 4.03 1.51 0.13 -0.65 117.35 127.38 3mlr s TYR 90 Ca 0.21 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 3mlr s TYR 90 Cb -0.15 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 3mlr s TYR 90 CO 0.09 -0.06 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.33 3mlr s PHE 91 N 1.06 2.88 0.14 2.71 0.40 0.91 -0.75 117.98 125.33 3mlr s PHE 91 Ca 0.05 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.41 3mlr s PHE 91 Cb -0.14 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 3mlr s PHE 91 CO 0.04 0.33 0.01 0.00 0.70 0.00 0.00 175.22 176.30 3mlr s THR 93 N -1.55 0.06 -0.16 0.00 -1.32 0.34 -1.17 115.64 111.85 3mlr s THR 93 Ca 0.27 -0.52 -0.07 0.00 -1.21 0.00 0.00 61.69 60.16 3mlr s THR 93 Cb -0.10 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 3mlr s THR 93 CO 0.19 -0.29 0.08 -0.60 -2.21 0.00 0.00 174.62 171.79 3mlr s ARG 94 N -2.47 3.81 -0.33 7.08 3.52 0.16 0.51 118.95 131.24 3mlr s ARG 94 Ca -0.05 -0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.03 3mlr s ARG 94 Cb -0.01 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.19 3mlr s ARG 94 CO -0.02 0.40 0.68 -1.17 -0.81 0.00 0.00 175.30 174.38 3mlr s LEU 95 N 0.01 4.16 -0.04 -0.88 2.96 -0.44 -2.42 118.68 122.03 3mlr s LEU 95 Ca 0.07 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.24 3mlr s LEU 95 Cb -0.12 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 3mlr s LEU 95 CO 0.01 -0.57 0.30 -0.47 -1.32 0.00 0.00 176.35 174.30 3mlr s TYR 96 N 2.77 3.67 -0.43 5.38 5.04 0.39 -3.91 117.35 130.26 3mlr s TYR 96 Ca 0.27 0.80 -0.15 0.00 -2.44 0.00 0.00 57.07 55.55 3mlr s TYR 96 Cb -0.14 -2.14 0.04 0.00 0.35 0.00 0.00 41.96 40.06 3mlr s TYR 96 CO 0.14 0.67 0.34 -1.17 -1.34 0.00 0.00 175.55 174.19 3mlr s LEU 97 N -1.13 5.24 -0.35 6.97 2.96 -1.26 -2.21 118.68 128.90 3mlr s LEU 97 Ca 0.21 -1.01 -0.26 0.00 -0.22 0.00 0.00 54.13 52.85 3mlr s LEU 97 Cb -0.15 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.37 3mlr s LEU 97 CO 0.10 -0.52 0.95 -0.36 -1.32 0.00 0.00 176.35 175.20 3mlr s PHE 98 N 1.72 3.11 -1.23 5.38 0.40 0.11 -4.95 117.98 122.52 3mlr s PHE 98 Ca 0.05 0.90 -0.05 0.00 -0.60 0.00 0.00 56.93 57.23 3mlr s PHE 98 Cb -0.20 -3.61 0.19 0.00 0.51 0.00 0.00 43.02 39.90 3mlr s PHE 98 CO 0.09 -0.78 2.09 0.39 0.70 0.00 0.00 175.22 177.72 3mlr n GLU 99 N 6.73 4.57 -0.10 0.44 1.02 -1.26 -2.91 120.64 129.13 3mlr n GLU 99 Ca 0.08 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.41 3mlr n GLU 99 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 3mlr n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mlr n GLY 100 N 1.54 1.07 0.33 0.62 0.00 -1.26 -4.94 105.19 102.55 3mlr n GLY 100 Ca 0.52 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.74 3mlr n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlr h ALA 100 N -1.16 1.53 -3.00 4.61 0.00 -2.07 -3.49 119.26 115.69 3mlr h ALA 100 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mlr h ALA 100 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mlr h ALA 100 CO 0.00 -0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.07 3mlr n GLN 100 N -4.92 2.80 0.00 0.00 3.00 -1.26 -5.29 117.38 111.71 3mlr n GLN 100 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3mlr n GLN 100 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.86 3mlr n GLN 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3mlr n SER 100 N 0.00 0.00 -4.19 1.08 3.41 -1.15 -4.82 113.62 107.96 3mlr n SER 100 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3mlr n SER 100 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3mlr n SER 100 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mlr s ASN 100 N 0.00 1.52 -0.11 4.04 -0.87 -1.26 -0.71 114.94 117.55 3mlr s ASN 100 Ca 0.00 -0.83 -0.30 0.00 -1.57 0.00 0.00 52.86 50.15 3mlr s ASN 100 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.25 41.33 3mlr s ASN 100 CO 0.00 -0.26 0.85 0.00 -2.57 0.00 0.00 177.10 175.12 3mlr s ALA 100 N -2.51 -1.86 -0.93 0.60 0.00 -0.94 -4.96 121.76 111.16 3mlr s ALA 100 Ca 0.07 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 3mlr s ALA 100 Cb -0.02 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.79 3mlr s ALA 100 CO 0.00 -0.35 1.33 -0.06 0.00 0.00 0.00 175.76 176.69 3mlr s PHE 100 N -1.21 2.60 -0.21 0.00 0.08 -1.26 -0.46 117.98 117.52 3mlr s PHE 100 Ca -0.06 -0.78 0.20 0.00 0.12 0.00 0.00 56.93 56.41 3mlr s PHE 100 Cb -0.00 -4.59 -0.01 0.00 -0.57 0.00 0.00 43.02 37.85 3mlr s PHE 100 CO 0.05 -1.87 1.05 0.38 -0.10 0.00 0.00 175.22 174.73 3mlr h ASP 101 N 9.66 0.00 -3.42 1.36 2.03 -1.85 -3.46 116.42 120.74 3mlr h ASP 101 Ca 0.08 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.71 3mlr h ASP 101 Cb 1.02 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.22 3mlr h ASP 101 CO 1.33 0.25 -0.83 -0.22 -1.03 0.00 0.00 179.24 178.74 3mlr s LEU 102 N -5.68 2.34 -0.01 0.15 2.96 -1.24 -5.00 118.68 112.19 3mlr s LEU 102 Ca -0.00 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3mlr s LEU 102 Cb 0.09 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 3mlr s LEU 102 CO 0.78 0.18 -0.13 0.26 -1.32 0.00 0.00 176.35 176.12 3mlr s TRP 103 N 0.26 1.16 1.00 5.38 0.52 -1.26 -0.66 118.94 125.33 3mlr s TRP 103 Ca -0.14 -0.23 -0.15 0.00 0.02 0.00 0.00 56.10 55.61 3mlr s TRP 103 Cb -0.17 -0.76 0.19 0.00 -1.15 0.00 0.00 33.47 31.59 3mlr s TRP 103 CO 0.07 -0.03 1.18 0.20 0.02 0.00 0.00 176.95 178.39 3mlr s GLY 104 N -0.26 1.63 0.00 0.98 0.00 -0.32 -4.60 107.32 104.76 3mlr s GLY 104 Ca 0.04 -0.82 0.30 0.00 0.00 0.00 0.00 44.72 44.25 3mlr s GLY 104 CO -0.00 -0.12 2.07 0.61 0.00 0.00 0.00 173.10 175.65 3mlr n GLN 105 N -4.01 0.56 0.00 2.90 0.00 -1.26 -4.80 117.38 110.78 3mlr n GLN 105 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.08 3mlr n GLN 105 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 3mlr n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mlr n GLY 106 N 1.23 -0.72 2.90 2.61 0.00 -1.26 -4.99 105.19 104.97 3mlr n GLY 106 Ca 0.16 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 3mlr n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlr s THR 107 N -3.13 1.21 -0.21 2.61 2.01 0.07 -4.86 115.64 113.34 3mlr s THR 107 Ca 0.00 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 3mlr s THR 107 Cb 0.00 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 3mlr s THR 107 CO 0.00 0.09 0.96 -0.32 -0.69 0.00 0.00 174.62 174.65 3mlr s MET 108 N 1.58 4.27 -0.21 4.92 1.75 -1.26 -0.69 119.30 129.66 3mlr s MET 108 Ca -0.01 1.22 -0.01 0.00 -1.25 0.00 0.00 55.69 55.65 3mlr s MET 108 Cb -0.16 -3.62 0.02 0.00 2.84 0.00 0.00 34.83 33.91 3mlr s MET 108 CO -0.08 -0.51 -0.12 0.42 -0.65 0.00 0.00 175.02 174.08 3mlr s ILE 109 N 2.78 2.57 -0.29 10.11 -1.09 -0.13 -1.31 121.20 133.85 3mlr s ILE 109 Ca 0.42 -0.91 -0.04 0.00 -2.23 0.00 0.00 60.65 57.89 3mlr s ILE 109 Cb -0.16 -2.19 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 3mlr s ILE 109 CO 0.09 0.39 0.03 -0.22 -1.23 0.00 0.00 174.94 173.99 3mlr s LEU 110 N 1.33 3.74 -0.42 2.97 2.96 -0.55 -0.55 118.68 128.17 3mlr s LEU 110 Ca 0.03 -0.94 -0.14 0.00 -0.22 0.00 0.00 54.13 52.86 3mlr s LEU 110 Cb -0.15 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.80 3mlr s LEU 110 CO -0.08 -0.21 0.31 -0.69 -1.32 0.00 0.00 176.35 174.36 3mlr s VAL 111 N 1.38 5.08 0.01 1.68 1.01 -1.26 -0.26 120.40 128.04 3mlr s VAL 111 Ca -0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 3mlr s VAL 111 Cb -0.18 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3mlr s VAL 111 CO -0.00 -0.40 0.17 -0.55 0.00 0.00 0.00 175.10 174.32 3mlr s SER 112 N 1.98 0.00 0.00 3.32 0.15 0.10 -4.54 113.70 114.71 3mlr s SER 112 Ca 0.04 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 56.71 3mlr s SER 112 Cb -0.21 0.23 0.57 0.00 -1.71 0.00 0.00 66.02 64.90 3mlr s SER 112 CO 0.08 -0.41 1.46 -1.54 1.20 0.00 0.00 173.24 174.03 3mlr n SER 113 N 1.29 2.55 -4.77 5.45 3.41 -1.26 -4.14 113.62 116.15 3mlr n SER 113 Ca -0.22 -1.86 -0.40 0.00 -0.26 0.00 0.00 58.87 56.13 3mlr n SER 113 Cb 0.56 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3mlr n SER 113 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mlr s GLY 114 N -1.50 2.98 0.24 5.00 0.00 -1.26 -5.04 107.32 107.74 3mlr s GLY 114 Ca 0.35 0.98 -0.05 0.00 0.00 0.00 0.00 44.72 45.99 3mlr s GLY 114 CO 0.28 1.55 0.50 -1.59 0.00 0.00 0.00 173.10 173.84 3mlr s THR 115 N -1.26 5.06 0.08 0.90 2.01 -1.26 -5.01 115.64 116.15 3mlr s THR 115 Ca 0.50 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 3mlr s THR 115 Cb -0.32 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 3mlr s THR 115 CO 0.42 -0.19 1.90 -0.89 -0.69 0.00 0.00 174.62 175.17 3mlr s THR 116 N -1.92 2.79 -0.06 -0.82 2.01 -1.26 -4.67 115.64 111.71 3mlr s THR 116 Ca 0.43 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.43 3mlr s THR 116 Cb -0.11 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.39 3mlr s THR 116 CO 0.27 -0.00 0.15 -0.75 -0.69 0.00 0.00 174.62 173.60 3mlr s LYS 117 N 3.64 0.17 0.50 4.92 2.20 -0.11 -4.96 119.74 126.10 3mlr s LYS 117 Ca 0.85 0.22 -0.16 0.00 -0.36 0.00 0.00 55.97 56.52 3mlr s LYS 117 Cb -0.44 0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 35.87 3mlr s LYS 117 CO 0.39 -0.03 0.97 0.20 -0.36 0.00 0.00 175.35 176.51 3mlr s GLY 118 N 0.16 2.06 0.60 5.54 0.00 -1.26 -1.52 107.32 112.90 3mlr s GLY 118 Ca -0.01 0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.79 3mlr s GLY 118 CO -0.00 0.42 0.94 2.56 0.00 0.00 0.00 173.10 177.02 3mlr s PRO 119 N -4.03 3.17 -0.12 2.90 0.04 -1.26 -4.62 135.00 131.08 3mlr s PRO 119 Ca 0.58 0.28 -0.10 0.00 0.04 0.00 0.00 61.00 61.81 3mlr s PRO 119 Cb -0.10 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3mlr s PRO 119 CO 0.31 -0.64 0.21 -1.12 0.04 0.00 0.00 177.00 175.79 3mlr s SER 120 N -4.25 6.44 -0.20 6.66 0.01 0.06 -4.89 113.70 117.52 3mlr s SER 120 Ca 0.54 0.52 -0.03 0.00 1.31 0.00 0.00 55.95 58.28 3mlr s SER 120 Cb -0.11 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 3mlr s SER 120 CO 0.48 0.31 -0.05 -0.69 0.41 0.00 0.00 173.24 173.70 3mlr s VAL 121 N -0.59 3.36 0.01 3.43 1.01 -1.26 -0.69 120.40 125.67 3mlr s VAL 121 Ca 0.15 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3mlr s VAL 121 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3mlr s VAL 121 CO 0.05 0.44 -0.19 -0.36 0.00 0.00 0.00 175.10 175.04 3mlr s PHE 122 N 1.26 2.54 0.41 5.22 0.08 -0.12 -4.95 117.98 122.41 3mlr s PHE 122 Ca 0.03 -0.27 -0.22 0.00 0.12 0.00 0.00 56.93 56.59 3mlr s PHE 122 Cb -0.14 -1.50 -0.10 0.00 -0.57 0.00 0.00 43.02 40.70 3mlr s PHE 122 CO -0.02 0.18 0.97 -1.25 -0.10 0.00 0.00 175.22 175.00 3mlr s PRO 123 N -1.12 4.25 -0.57 0.24 0.04 -1.26 -0.23 135.00 136.35 3mlr s PRO 123 Ca 0.13 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3mlr s PRO 123 Cb -0.10 -2.32 0.15 0.00 0.04 0.00 0.00 34.50 32.26 3mlr s PRO 123 CO 0.03 -0.02 0.36 -0.51 0.04 0.00 0.00 177.00 176.90 3mlr s LEU 124 N -2.94 4.86 0.31 -3.56 1.43 0.31 -4.81 118.68 114.28 3mlr s LEU 124 Ca 0.60 -2.89 -0.28 0.00 -1.03 0.00 0.00 54.13 50.53 3mlr s LEU 124 Cb -0.13 -1.76 -0.13 0.00 0.03 0.00 0.00 46.19 44.20 3mlr s LEU 124 CO 0.17 -0.32 1.17 0.00 0.23 0.00 0.00 176.35 177.60 3mlr n ALA 125 N 3.37 0.56 -1.51 4.21 0.00 -1.26 -1.74 120.51 124.13 3mlr n ALA 125 Ca 0.06 0.38 -0.59 0.00 0.00 0.00 0.00 53.44 53.29 3mlr n ALA 125 Cb 0.36 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 3mlr n ALA 125 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3mlr n PRO 126 N 0.73 0.04 -4.02 0.00 -0.02 -1.26 -4.81 135.00 125.66 3mlr n PRO 126 Ca 0.07 0.01 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 3mlr n PRO 126 Cb 0.34 -1.52 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 3mlr n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mlr s SER 127 N 0.15 0.45 0.17 2.55 0.15 -0.03 -4.70 113.70 112.44 3mlr s SER 127 Ca 0.91 -0.05 -0.33 0.00 0.70 0.00 0.00 55.95 57.18 3mlr s SER 127 Cb -1.27 -0.14 -0.16 0.00 -1.71 0.00 0.00 66.02 62.74 3mlr s SER 127 CO 0.58 -0.02 1.11 -0.24 1.20 0.00 0.00 173.24 175.87 3mlr n SER 128 N 3.51 1.12 -0.02 5.45 2.88 -1.26 -0.80 113.62 124.49 3mlr n SER 128 Ca -0.19 1.14 -0.06 0.00 -1.33 0.00 0.00 58.87 58.43 3mlr n SER 128 Cb 0.55 -1.19 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 3mlr n SER 128 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3mlr n LYS 129 N 1.64 0.13 -2.30 -1.46 4.81 -0.91 -4.72 118.16 115.33 3mlr n LYS 129 Ca 0.15 0.05 -0.42 0.00 -0.87 0.00 0.00 58.31 57.23 3mlr n LYS 129 Cb 0.24 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.58 3mlr n LYS 129 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3mlr n SER 130 N -3.34 6.31 -4.01 3.14 7.64 -1.12 -4.77 113.62 117.47 3mlr n SER 130 Ca -0.11 -3.18 -0.35 0.00 1.01 0.00 0.00 58.87 56.24 3mlr n SER 130 Cb 0.51 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.30 3mlr n SER 130 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3mlr n THR 131 N 2.43 -1.77 -3.19 0.44 -1.04 -1.26 0.16 114.28 110.04 3mlr n THR 131 Ca 0.46 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 3mlr n THR 131 Cb 0.32 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.27 3mlr n THR 131 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3mlr n SER 132 N -1.71 -1.81 -0.08 8.00 3.41 -1.26 -4.79 113.62 115.37 3mlr n SER 132 Ca -0.13 -0.14 -0.21 0.00 -0.26 0.00 0.00 58.87 58.13 3mlr n SER 132 Cb 0.48 -1.62 -0.12 0.00 -0.26 0.00 0.00 64.21 62.69 3mlr n SER 132 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3mlr h GLY 133 N -0.38 0.05 0.00 5.00 0.00 0.11 -3.48 103.07 104.37 3mlr h GLY 133 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3mlr h GLY 133 CO 0.35 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.61 3mlr n GLY 134 N 1.53 0.01 3.61 4.60 0.00 -1.25 -5.06 105.19 108.63 3mlr n GLY 134 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3mlr n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mlr s THR 135 N 0.00 3.46 0.09 2.61 -4.23 -1.26 0.41 115.64 116.72 3mlr s THR 135 Ca 0.00 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 3mlr s THR 135 Cb 0.00 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 3mlr s THR 135 CO 0.00 -0.07 -0.07 0.00 -0.54 0.00 0.00 174.62 173.94 3mlr s ALA 136 N -1.63 0.97 -0.08 3.99 0.00 0.14 -2.15 121.76 123.00 3mlr s ALA 136 Ca 0.25 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3mlr s ALA 136 Cb -0.09 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3mlr s ALA 136 CO 0.16 -0.19 -0.21 0.00 0.00 0.00 0.00 175.76 175.53 3mlr s ALA 137 N -3.29 2.34 0.08 0.00 0.00 0.02 -0.71 121.76 120.21 3mlr s ALA 137 Ca 0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 3mlr s ALA 137 Cb 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3mlr s ALA 137 CO -0.04 0.38 0.01 -0.48 0.00 0.00 0.00 175.76 175.63 3mlr s LEU 138 N -0.06 2.19 0.00 0.00 0.05 -0.52 -0.85 118.68 119.49 3mlr s LEU 138 Ca -0.05 -1.09 0.00 0.00 0.05 0.00 0.00 54.13 53.04 3mlr s LEU 138 Cb -0.14 0.24 0.00 0.00 -2.05 0.00 0.00 46.19 44.23 3mlr s LEU 138 CO 0.05 -0.65 0.00 0.61 -0.55 0.00 0.00 176.35 175.80 3mlr n GLY 139 N 0.02 1.19 2.93 -3.48 0.00 -0.71 0.67 105.19 105.82 3mlr n GLY 139 Ca -0.10 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 3mlr n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlr s LEU 141 N 0.30 4.13 -0.52 0.00 2.96 0.68 -1.72 118.68 124.51 3mlr s LEU 141 Ca -0.03 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 3mlr s LEU 141 Cb -0.07 -2.21 0.13 0.00 0.50 0.00 0.00 46.19 44.54 3mlr s LEU 141 CO -0.00 -0.13 0.42 -0.69 -1.32 0.00 0.00 176.35 174.63 3mlr s VAL 142 N 1.84 4.59 -0.06 1.68 1.01 0.12 -0.95 120.40 128.64 3mlr s VAL 142 Ca 0.09 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.25 3mlr s VAL 142 Cb -0.16 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3mlr s VAL 142 CO 0.11 -0.82 0.12 -0.75 0.00 0.00 0.00 175.10 173.75 3mlr s LYS 143 N 1.32 3.30 -0.78 2.72 2.47 0.13 -1.02 119.74 127.88 3mlr s LYS 143 Ca 0.06 -0.29 -0.01 0.00 -1.56 0.00 0.00 55.97 54.17 3mlr s LYS 143 Cb -0.26 -3.04 0.00 0.00 -1.46 0.00 0.00 37.83 33.06 3mlr s LYS 143 CO -0.00 0.72 0.64 -0.25 0.16 0.00 0.00 175.35 176.62 3mlr n ASP 144 N 1.57 -6.11 -4.48 1.43 8.00 -0.68 -0.76 116.55 115.52 3mlr n ASP 144 Ca -0.16 -0.57 -0.23 0.00 0.71 0.00 0.00 54.79 54.53 3mlr n ASP 144 Cb 0.54 -3.21 -0.10 0.00 -0.02 0.00 0.00 41.12 38.32 3mlr n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mlr s TYR 145 N -2.97 2.14 -0.28 1.24 -0.85 -0.31 -4.23 117.35 112.09 3mlr s TYR 145 Ca 0.01 -0.63 -0.18 0.00 -0.52 0.00 0.00 57.07 55.75 3mlr s TYR 145 Cb -0.00 -1.24 0.11 0.00 0.38 0.00 0.00 41.96 41.20 3mlr s TYR 145 CO 0.83 0.39 0.84 0.12 -1.52 0.00 0.00 175.55 176.21 3mlr s PHE 146 N -2.86 -0.79 0.00 -3.49 5.36 -0.58 -0.41 117.98 115.21 3mlr s PHE 146 Ca 0.31 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 3mlr s PHE 146 Cb 0.04 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 3mlr s PHE 146 CO 0.14 -0.39 0.00 -0.35 -1.46 0.00 0.00 175.22 173.16 3mlr n PRO 147 N 3.70 1.27 -1.59 10.12 -0.04 -1.26 -0.93 135.00 146.27 3mlr n PRO 147 Ca -0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 3mlr n PRO 147 Cb 0.58 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.09 3mlr n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mlr s GLU 148 N -1.12 2.88 0.41 0.54 2.02 -1.26 -4.79 118.70 117.39 3mlr s GLU 148 Ca 0.00 0.90 0.02 0.00 0.02 0.00 0.00 54.97 55.92 3mlr s GLU 148 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.27 3mlr s GLU 148 CO 0.00 -1.13 0.20 -0.35 0.02 0.00 0.00 175.26 174.00 3mlr n PRO 149 N -3.14 0.93 -4.23 0.39 -0.04 -1.26 -5.02 135.00 122.62 3mlr n PRO 149 Ca 0.07 -2.74 -0.18 0.00 -0.04 0.00 0.00 63.50 60.62 3mlr n PRO 149 Cb 0.54 0.47 -0.11 0.00 -0.04 0.00 0.00 33.50 34.35 3mlr n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mlr s VAL 150 N -2.22 1.28 0.02 0.52 -7.23 -1.26 -4.55 120.40 106.96 3mlr s VAL 150 Ca 0.15 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 3mlr s VAL 150 Cb -0.01 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3mlr s VAL 150 CO 0.10 -0.41 -0.24 0.42 -0.31 0.00 0.00 175.10 174.65 3mlr s THR 151 N -2.09 2.26 -0.06 5.32 -4.23 -0.51 -4.97 115.64 111.36 3mlr s THR 151 Ca 0.08 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3mlr s THR 151 Cb -0.05 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.93 3mlr s THR 151 CO 0.03 0.43 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.72 3mlr s VAL 152 N -0.77 1.16 0.35 2.29 1.01 -1.26 -1.40 120.40 121.77 3mlr s VAL 152 Ca 0.12 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3mlr s VAL 152 Cb -0.10 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 3mlr s VAL 152 CO 0.02 0.36 0.01 -0.55 0.00 0.00 0.00 175.10 174.93 3mlr s SER 153 N 0.61 3.04 -0.04 3.32 0.15 0.17 -4.95 113.70 115.99 3mlr s SER 153 Ca -0.14 -1.33 0.03 0.00 0.70 0.00 0.00 55.95 55.21 3mlr s SER 153 Cb -0.15 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 3mlr s SER 153 CO 0.04 -0.47 -0.12 0.26 1.20 0.00 0.00 173.24 174.14 3mlr s TRP 154 N -3.00 1.29 -1.47 3.44 0.52 -1.26 -0.23 118.94 118.24 3mlr s TRP 154 Ca 0.34 -0.39 -0.07 0.00 0.02 0.00 0.00 56.10 56.00 3mlr s TRP 154 Cb 0.08 -0.92 0.05 0.00 -1.15 0.00 0.00 33.47 31.52 3mlr s TRP 154 CO 0.16 -0.18 0.70 0.09 0.02 0.00 0.00 176.95 177.73 3mlr n ASN 155 N 3.48 -2.19 -2.06 2.95 3.02 0.15 -1.24 115.26 119.38 3mlr n ASN 155 Ca -0.20 -0.90 -0.20 0.00 -0.03 0.00 0.00 54.58 53.25 3mlr n ASN 155 Cb 0.53 -3.46 -0.03 0.00 -0.61 0.00 0.00 39.78 36.20 3mlr n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mlr n SER 156 N -2.91 -5.59 0.00 6.41 7.64 -1.26 -1.78 113.62 116.13 3mlr n SER 156 Ca -0.15 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3mlr n SER 156 Cb 0.61 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 3mlr n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlr n GLY 157 N -0.89 0.68 0.16 0.23 0.00 -0.37 -4.93 105.19 100.07 3mlr n GLY 157 Ca -0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.83 3mlr n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlr h ALA 158 N 0.00 0.91 -2.97 4.61 0.00 -1.15 -3.42 119.26 117.24 3mlr h ALA 158 Ca 0.00 -0.43 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 3mlr h ALA 158 Cb 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 17.47 3mlr h ALA 158 CO 0.00 0.60 -0.61 -1.17 0.00 0.00 0.00 179.25 178.07 3mlr s LEU 159 N -7.08 3.85 0.00 0.00 2.96 -0.97 -4.91 118.68 112.53 3mlr s LEU 159 Ca 0.00 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 3mlr s LEU 159 Cb 0.11 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3mlr s LEU 159 CO 0.72 -0.17 0.00 0.35 -1.32 0.00 0.00 176.35 175.93 3mlr n THR 160 N 4.91 0.00 -2.22 3.68 -2.24 -1.26 -4.23 114.28 112.92 3mlr n THR 160 Ca -0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3mlr n THR 160 Cb 0.49 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 3mlr n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mlr s SER 161 N -2.55 6.90 -0.37 3.42 0.01 -1.26 -3.08 113.70 116.76 3mlr s SER 161 Ca 0.00 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.66 3mlr s SER 161 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3mlr s SER 161 CO 0.00 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.74 3mlr n GLY 162 N 2.32 0.64 3.78 3.44 0.00 -1.26 -4.84 105.19 109.26 3mlr n GLY 162 Ca 0.06 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 3mlr n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlr s VAL 163 N -2.00 4.97 -0.10 1.61 1.01 -1.18 -1.12 120.40 123.58 3mlr s VAL 163 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3mlr s VAL 163 Cb 0.00 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.28 3mlr s VAL 163 CO 0.00 0.60 0.12 -2.28 0.00 0.00 0.00 175.10 173.53 3mlr s HIS 164 N -0.81 -0.02 -0.26 5.22 2.46 -0.03 -5.01 115.29 116.85 3mlr s HIS 164 Ca 0.13 0.24 -0.08 0.00 0.47 0.00 0.00 55.06 55.81 3mlr s HIS 164 Cb -0.12 -0.45 -0.03 0.00 -0.13 0.00 0.00 32.58 31.85 3mlr s HIS 164 CO 0.03 -0.33 0.10 0.99 -2.47 0.00 0.00 174.74 173.06 3mlr s THR 165 N 2.22 4.53 0.71 0.89 2.01 -1.26 -0.84 115.64 123.90 3mlr s THR 165 Ca 0.04 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 3mlr s THR 165 Cb -0.13 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.25 3mlr s THR 165 CO -0.06 0.30 1.07 -0.36 -0.69 0.00 0.00 174.62 174.88 3mlr s PHE 166 N 1.64 3.21 0.85 4.92 0.40 -0.37 -5.00 117.98 123.64 3mlr s PHE 166 Ca 0.06 1.21 -0.11 0.00 -0.60 0.00 0.00 56.93 57.49 3mlr s PHE 166 Cb -0.15 -2.96 0.10 0.00 0.51 0.00 0.00 43.02 40.51 3mlr s PHE 166 CO 0.05 -1.24 1.09 -2.14 0.70 0.00 0.00 175.22 173.68 3mlr s PRO 167 N -5.19 1.66 0.46 0.24 0.02 -1.26 -4.59 135.00 126.33 3mlr s PRO 167 Ca 0.58 0.86 -0.04 0.00 0.02 0.00 0.00 61.00 62.42 3mlr s PRO 167 Cb -0.13 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3mlr s PRO 167 CO 0.54 -1.97 0.75 0.00 -0.33 0.00 0.00 177.00 175.98 3mlr s ALA 168 N -2.97 3.45 0.14 -1.55 0.00 -1.26 -4.70 121.76 114.86 3mlr s ALA 168 Ca 0.62 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.09 3mlr s ALA 168 Cb -0.17 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3mlr s ALA 168 CO 0.56 -0.29 -0.08 0.14 0.00 0.00 0.00 175.76 176.09 3mlr s VAL 169 N -2.67 3.41 -0.30 0.00 -7.23 -0.05 -4.94 120.40 108.62 3mlr s VAL 169 Ca 0.46 -1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 59.18 3mlr s VAL 169 Cb -0.10 -2.65 0.02 0.00 0.56 0.00 0.00 36.38 34.22 3mlr s VAL 169 CO 0.43 0.01 0.07 -0.22 -0.31 0.00 0.00 175.10 175.08 3mlr s LEU 170 N -2.52 3.92 0.67 1.32 2.96 -1.26 -1.99 118.68 121.77 3mlr s LEU 170 Ca 0.24 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 53.18 3mlr s LEU 170 Cb -0.10 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.79 3mlr s LEU 170 CO 0.15 -0.23 0.99 0.00 -1.32 0.00 0.00 176.35 175.94 3mlr s GLN 171 N 1.43 2.50 0.67 1.98 -2.07 -0.79 -4.94 119.66 118.44 3mlr s GLN 171 Ca 0.00 -0.08 0.36 0.00 -1.82 0.00 0.00 55.36 53.82 3mlr s GLN 171 Cb -0.18 -2.18 1.94 0.00 -1.09 0.00 0.00 33.01 31.51 3mlr s GLN 171 CO 0.02 -1.05 2.10 0.77 -1.32 0.00 0.00 175.29 175.80 3mlr h SER 172 N -0.48 0.00 1.02 12.60 0.02 -1.99 0.14 113.55 124.86 3mlr h SER 172 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3mlr h SER 172 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3mlr h SER 172 CO 0.61 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.76 3mlr n SER 173 N -2.99 0.19 0.00 3.07 3.41 -1.26 -4.88 113.62 111.16 3mlr n SER 173 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 3mlr n SER 173 Cb 0.26 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3mlr n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlr n GLY 174 N 1.20 0.80 3.85 5.00 0.00 0.04 -4.96 105.19 111.13 3mlr n GLY 174 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3mlr n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlr s LEU 175 N 0.00 4.08 0.31 0.99 1.43 -1.26 -4.89 118.68 119.34 3mlr s LEU 175 Ca 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3mlr s LEU 175 Cb 0.00 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 3mlr s LEU 175 CO 0.00 0.14 0.51 -0.31 0.23 0.00 0.00 176.35 176.91 3mlr s TYR 176 N -1.54 3.49 -0.08 0.29 1.51 0.45 -1.88 117.35 119.59 3mlr s TYR 176 Ca 0.32 0.33 -0.14 0.00 -1.01 0.00 0.00 57.07 56.57 3mlr s TYR 176 Cb -0.12 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 39.89 3mlr s TYR 176 CO 0.25 0.20 0.35 -1.12 -1.11 0.00 0.00 175.55 174.12 3mlr s SER 177 N -3.84 -0.31 0.26 2.29 0.01 -0.84 -1.16 113.70 110.11 3mlr s SER 177 Ca 0.39 0.47 -0.10 0.00 1.31 0.00 0.00 55.95 58.02 3mlr s SER 177 Cb -0.10 0.56 -0.00 0.00 0.21 0.00 0.00 66.02 66.69 3mlr s SER 177 CO 0.34 -0.27 0.46 -1.48 0.41 0.00 0.00 173.24 172.70 3mlr s LEU 178 N -0.45 0.49 0.04 2.44 0.05 -0.19 -0.87 118.68 120.20 3mlr s LEU 178 Ca -0.06 -1.07 0.01 0.00 0.05 0.00 0.00 54.13 53.06 3mlr s LEU 178 Cb -0.04 1.63 -0.03 0.00 -2.05 0.00 0.00 46.19 45.70 3mlr s LEU 178 CO 0.02 -1.16 -0.05 -0.44 -0.55 0.00 0.00 176.35 174.17 3mlr s SER 179 N -3.07 0.63 -0.09 1.48 0.01 -1.26 0.15 113.70 111.56 3mlr s SER 179 Ca 0.25 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.86 3mlr s SER 179 Cb -0.00 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.34 3mlr s SER 179 CO 0.11 -0.33 -0.10 -0.55 0.41 0.00 0.00 173.24 172.78 3mlr s SER 180 N -1.94 1.92 0.06 2.44 0.15 -0.70 -1.23 113.70 114.39 3mlr s SER 180 Ca -0.06 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 56.38 3mlr s SER 180 Cb -0.05 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 3mlr s SER 180 CO -0.02 -0.05 -0.24 0.54 1.20 0.00 0.00 173.24 174.67 3mlr s VAL 181 N 1.18 2.34 -0.09 4.45 0.11 -0.02 -0.87 120.40 127.51 3mlr s VAL 181 Ca -0.05 -1.39 0.04 0.00 -2.93 0.00 0.00 61.98 57.65 3mlr s VAL 181 Cb -0.14 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 3mlr s VAL 181 CO -0.02 0.32 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.16 3mlr s VAL 182 N -0.87 1.86 -0.25 2.04 1.01 0.21 -0.85 120.40 123.55 3mlr s VAL 182 Ca 0.13 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3mlr s VAL 182 Cb -0.10 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3mlr s VAL 182 CO 0.03 0.52 0.23 -0.89 0.00 0.00 0.00 175.10 174.99 3mlr s THR 183 N 0.36 5.30 0.13 3.92 2.01 -0.28 -1.44 115.64 125.64 3mlr s THR 183 Ca -0.17 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.13 3mlr s THR 183 Cb -0.17 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3mlr s THR 183 CO 0.07 0.29 0.02 0.68 -0.69 0.00 0.00 174.62 174.99 3mlr s VAL 184 N 1.38 0.34 0.16 3.82 -7.23 0.11 -4.72 120.40 114.26 3mlr s VAL 184 Ca 0.10 -1.92 -0.31 0.00 -1.81 0.00 0.00 61.98 58.04 3mlr s VAL 184 Cb -0.15 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 3mlr s VAL 184 CO 0.07 -0.56 1.39 -2.84 -0.31 0.00 0.00 175.10 172.85 3mlr s PRO 185 N -3.98 4.32 0.53 4.82 0.02 -1.26 0.25 135.00 139.71 3mlr s PRO 185 Ca 0.21 2.12 0.21 0.00 0.02 0.00 0.00 61.00 63.56 3mlr s PRO 185 Cb 0.07 -3.21 1.38 0.00 0.02 0.00 0.00 34.50 32.76 3mlr s PRO 185 CO 0.01 -0.40 2.10 0.66 -0.33 0.00 0.00 177.00 179.03 3mlr h SER 186 N 6.22 0.00 0.35 2.53 4.64 -0.33 -0.86 113.55 126.09 3mlr h SER 186 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3mlr h SER 186 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mlr h SER 186 CO 0.83 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.59 3mlr n SER 187 N -4.37 0.00 0.01 4.97 7.64 -1.26 -2.47 113.62 118.14 3mlr n SER 187 Ca 0.02 0.12 0.11 0.00 1.01 0.00 0.00 58.87 60.13 3mlr n SER 187 Cb 0.29 -0.32 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 3mlr n SER 187 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3mlr n SER 188 N -1.32 0.35 0.29 6.43 7.64 -0.33 -4.37 113.62 122.31 3mlr n SER 188 Ca 0.07 -0.14 0.17 0.00 1.01 0.00 0.00 58.87 59.98 3mlr n SER 188 Cb 0.14 1.47 0.84 0.00 -1.01 0.00 0.00 64.21 65.65 3mlr n SER 188 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3mlr h LEU 189 N 0.00 0.00 -2.51 -3.43 4.07 -1.57 0.27 115.31 112.14 3mlr h LEU 189 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3mlr h LEU 189 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3mlr h LEU 189 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3mlr n GLY 190 N -1.26 2.00 1.66 0.83 0.00 -1.26 -4.71 105.19 102.44 3mlr n GLY 190 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3mlr n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mlr n THR 191 N 1.05 0.00 -2.60 2.61 -1.04 0.22 -5.09 114.28 109.43 3mlr n THR 191 Ca 0.16 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.79 3mlr n THR 191 Cb 0.50 -0.80 -0.05 0.00 -1.82 0.00 0.00 70.33 68.16 3mlr n THR 191 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3mlr s GLN 192 N -1.99 4.46 -0.08 -2.82 2.00 0.69 -5.05 119.66 116.87 3mlr s GLN 192 Ca 0.00 1.54 -0.06 0.00 -2.00 0.00 0.00 55.36 54.84 3mlr s GLN 192 Cb 0.00 -2.85 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 3mlr s GLN 192 CO 0.00 0.12 0.17 0.99 -0.50 0.00 0.00 175.29 176.07 3mlr s THR 193 N -1.47 5.46 -0.19 -0.34 2.01 -1.26 -4.77 115.64 115.08 3mlr s THR 193 Ca 0.51 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 3mlr s THR 193 Cb -0.24 -3.46 0.05 0.00 0.01 0.00 0.00 72.50 68.86 3mlr s THR 193 CO 0.31 0.54 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.45 3mlr s TYR 194 N -1.11 1.59 -0.12 4.92 2.02 -1.26 -4.95 117.35 118.44 3mlr s TYR 194 Ca 0.19 -1.13 0.02 0.00 -0.37 0.00 0.00 57.07 55.77 3mlr s TYR 194 Cb -0.12 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3mlr s TYR 194 CO 0.08 -0.64 -0.16 0.42 -1.57 0.00 0.00 175.55 173.68 3mlr s ILE 195 N 1.67 1.57 -0.15 2.71 1.01 -1.26 -0.41 121.20 126.33 3mlr s ILE 195 Ca -0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 3mlr s ILE 195 Cb -0.17 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3mlr s ILE 195 CO -0.07 0.45 0.25 0.00 0.00 0.00 0.00 174.94 175.58 3mlr s ASN 197 N 0.19 5.33 -0.15 0.00 -0.87 0.68 -1.26 114.94 118.86 3mlr s ASN 197 Ca 0.15 -0.58 -0.03 0.00 -1.57 0.00 0.00 52.86 50.83 3mlr s ASN 197 Cb -0.13 -1.94 -0.03 0.00 -0.02 0.00 0.00 41.25 39.13 3mlr s ASN 197 CO 0.03 -0.18 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.65 3mlr s VAL 198 N 1.56 3.85 -0.11 1.60 1.01 0.35 -0.66 120.40 128.02 3mlr s VAL 198 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3mlr s VAL 198 Cb -0.17 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3mlr s VAL 198 CO 0.04 0.50 -0.11 0.21 0.00 0.00 0.00 175.10 175.74 3mlr s ASN 199 N 0.31 2.20 -0.46 3.32 2.47 -0.49 -0.89 114.94 121.38 3mlr s ASN 199 Ca -0.04 -0.35 0.04 0.00 0.42 0.00 0.00 52.86 52.93 3mlr s ASN 199 Cb -0.14 -0.93 0.12 0.00 -1.45 0.00 0.00 41.25 38.85 3mlr s ASN 199 CO 0.03 -0.05 0.20 -2.28 -3.72 0.00 0.00 177.10 171.28 3mlr s HIS 200 N 1.28 3.25 0.23 0.43 5.65 0.44 -1.42 115.29 125.16 3mlr s HIS 200 Ca -0.02 -3.07 -0.06 0.00 0.25 0.00 0.00 55.06 52.16 3mlr s HIS 200 Cb -0.14 -2.78 0.36 0.00 -1.18 0.00 0.00 32.58 28.84 3mlr s HIS 200 CO -0.04 -0.80 1.78 0.87 -0.65 0.00 0.00 174.74 175.90 3mlr h LYS 201 N 6.83 0.61 -0.95 2.88 1.57 -1.80 -1.35 116.57 124.35 3mlr h LYS 201 Ca -0.07 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 58.86 3mlr h LYS 201 Cb 0.93 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.02 3mlr h LYS 201 CO 0.63 0.40 0.61 -1.35 -0.57 0.00 0.00 179.45 179.17 3mlr h PRO 202 N 0.63 0.63 -0.20 3.15 0.11 -1.93 -0.53 132.00 133.86 3mlr h PRO 202 Ca 0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3mlr h PRO 202 Cb 0.40 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3mlr h PRO 202 CO -0.28 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 176.80 3mlr n SER 203 N -4.63 3.14 -3.30 -2.05 3.41 -1.06 -4.94 113.62 104.18 3mlr n SER 203 Ca 0.21 -1.96 -0.23 0.00 -0.26 0.00 0.00 58.87 56.62 3mlr n SER 203 Cb 0.58 -0.12 0.05 0.00 -0.26 0.00 0.00 64.21 64.47 3mlr n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mlr n ASN 204 N 1.35 -6.15 -4.69 4.04 4.05 -0.21 -4.87 115.26 108.79 3mlr n ASN 204 Ca 0.16 -0.41 -0.36 0.00 0.45 0.00 0.00 54.58 54.41 3mlr n ASN 204 Cb 0.58 -4.91 -0.08 0.00 1.23 0.00 0.00 39.78 36.59 3mlr n ASN 204 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3mlr s THR 205 N -3.24 5.34 -0.07 -0.44 2.01 -0.58 -4.98 115.64 113.68 3mlr s THR 205 Ca 0.44 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.77 3mlr s THR 205 Cb -0.20 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.79 3mlr s THR 205 CO 0.54 0.36 -0.07 -0.54 -0.69 0.00 0.00 174.62 174.22 3mlr s LYS 206 N 0.84 1.24 -0.01 4.92 1.02 -1.26 -0.42 119.74 126.08 3mlr s LYS 206 Ca 0.11 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 55.90 3mlr s LYS 206 Cb -0.13 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 3mlr s LYS 206 CO 0.03 -0.12 -0.04 0.08 -0.92 0.00 0.00 175.35 174.38 3mlr s VAL 207 N 1.16 0.35 -0.16 3.17 1.01 -0.07 -5.00 120.40 120.85 3mlr s VAL 207 Ca -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3mlr s VAL 207 Cb -0.14 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.93 3mlr s VAL 207 CO -0.01 0.11 -0.17 -1.81 0.00 0.00 0.00 175.10 173.21 3mlr s ASP 208 N 0.04 3.45 -0.14 3.32 1.01 -1.26 -0.49 116.67 122.60 3mlr s ASP 208 Ca 0.00 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.73 3mlr s ASP 208 Cb -0.03 -1.53 0.02 0.00 1.01 0.00 0.00 42.92 42.39 3mlr s ASP 208 CO -0.00 0.05 -0.15 -0.75 0.21 0.00 0.00 175.17 174.53 3mlr s LYS 209 N 1.00 2.33 0.05 8.23 2.47 -0.39 -4.96 119.74 128.48 3mlr s LYS 209 Ca -0.02 -0.58 -0.30 0.00 -1.56 0.00 0.00 55.97 53.51 3mlr s LYS 209 Cb -0.15 -2.09 -0.04 0.00 -1.46 0.00 0.00 37.83 34.09 3mlr s LYS 209 CO -0.04 -0.19 1.01 0.21 0.16 0.00 0.00 175.35 176.50 3mlr s LYS 210 N 1.34 4.59 -0.32 4.03 2.36 -1.26 -1.44 119.74 129.04 3mlr s LYS 210 Ca 0.02 1.49 -0.06 0.00 -2.55 0.00 0.00 55.97 54.87 3mlr s LYS 210 Cb -0.13 -3.41 0.03 0.00 -1.05 0.00 0.00 37.83 33.27 3mlr s LYS 210 CO -0.08 0.01 0.08 0.08 1.55 0.00 0.00 175.35 176.98 3mlr s VAL 211 N 0.63 3.71 0.25 4.02 1.01 0.45 -4.85 120.40 125.63 3mlr s VAL 211 Ca 0.51 -1.01 0.11 0.00 0.00 0.00 0.00 61.98 61.59 3mlr s VAL 211 Cb -0.23 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3mlr s VAL 211 CO 0.29 -0.06 -0.12 -1.61 0.00 0.00 0.00 175.10 173.60 3mlr s GLU 212 N 1.42 1.94 0.51 2.72 2.02 -1.26 -4.41 118.70 121.63 3mlr s GLU 212 Ca -0.01 -1.55 -0.23 0.00 0.02 0.00 0.00 54.97 53.21 3mlr s GLU 212 Cb -0.19 -1.97 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 3mlr s GLU 212 CO 0.02 0.36 1.38 -1.25 0.02 0.00 0.00 175.26 175.79 3mlr s PRO 213 N -3.38 3.35 0.85 0.39 0.04 -1.26 -4.38 135.00 130.61 3mlr s PRO 213 Ca 0.29 2.29 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 3mlr s PRO 213 Cb -0.06 -2.41 -0.00 0.00 0.04 0.00 0.00 34.50 32.07 3mlr s PRO 213 CO 0.16 -1.04 0.41 1.63 0.04 0.00 0.00 177.00 178.21 3mlr n LYS 214 N -0.71 -0.02 -0.68 4.56 5.02 -1.26 -4.98 118.16 120.08 3mlr n LYS 214 Ca 0.08 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3mlr n LYS 214 Cb 0.44 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3mlr n LYS 214 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31