#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lmu s ARG 2 N 0.00 3.25 -0.03 3.17 0.52 -0.57 -1.90 118.95 123.39 3lmu s ARG 2 Ca 0.00 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 3lmu s ARG 2 Cb 0.00 -3.01 0.03 0.00 0.52 0.00 0.00 34.95 32.49 3lmu s ARG 2 CO 0.00 0.72 0.03 0.54 0.02 0.00 0.00 175.30 176.61 3lmu s VAL 3 N -1.08 0.02 -0.35 3.52 0.11 -0.24 0.01 120.40 122.40 3lmu s VAL 3 Ca 0.18 0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 3lmu s VAL 3 Cb -0.12 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3lmu s VAL 3 CO 0.08 0.15 0.42 -0.69 -3.33 0.00 0.00 175.10 171.73 3lmu s VAL 4 N 1.47 5.11 -0.16 2.04 1.01 -0.89 -1.50 120.40 127.49 3lmu s VAL 4 Ca -0.04 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 3lmu s VAL 4 Cb -0.13 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3lmu s VAL 4 CO -0.03 -0.15 0.12 -0.63 0.00 0.00 0.00 175.10 174.41 3lmu s ILE 5 N 2.16 5.32 -0.05 2.22 1.01 -0.13 -1.11 121.20 130.63 3lmu s ILE 5 Ca 0.14 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.99 3lmu s ILE 5 Cb -0.16 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3lmu s ILE 5 CO 0.12 0.53 -0.20 -1.10 0.00 0.00 0.00 174.94 174.29 3lmu s GLN 6 N -0.29 2.13 -0.11 2.79 -1.52 0.14 -1.56 119.66 121.23 3lmu s GLN 6 Ca 0.11 -0.72 -0.26 0.00 -1.95 0.00 0.00 55.36 52.53 3lmu s GLN 6 Cb -0.12 -1.81 -0.02 0.00 -0.22 0.00 0.00 33.01 30.84 3lmu s GLN 6 CO 0.01 0.28 0.86 0.50 -0.25 0.00 0.00 175.29 176.69 3lmu s ARG 7 N 0.01 4.39 0.04 2.91 3.52 -0.73 -1.06 118.95 128.03 3lmu s ARG 7 Ca -0.05 1.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.71 3lmu s ARG 7 Cb -0.13 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3lmu s ARG 7 CO 0.03 -0.20 -0.12 0.14 -0.81 0.00 0.00 175.30 174.34 3lmu s VAL 8 N 1.67 0.90 -0.49 7.11 -7.23 0.14 -1.43 120.40 121.06 3lmu s VAL 8 Ca 0.42 -0.92 0.24 0.00 -1.81 0.00 0.00 61.98 59.90 3lmu s VAL 8 Cb -0.18 -0.84 0.32 0.00 0.56 0.00 0.00 36.38 36.24 3lmu s VAL 8 CO 0.17 -0.07 1.62 0.07 -0.31 0.00 0.00 175.10 176.58 3lmu h LYS 9 N 4.96 0.00 0.00 4.82 -0.00 -1.18 -0.65 116.57 124.52 3lmu h LYS 9 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 3lmu h LYS 9 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 3lmu h LYS 9 CO 0.44 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 180.30 3lmu n GLY 10 N 1.15 2.05 3.35 0.07 0.00 -1.07 -2.32 105.19 108.41 3lmu n GLY 10 Ca 0.04 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3lmu n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lmu s ALA 11 N -2.00 -1.13 -0.22 4.61 0.00 -0.37 -0.68 121.76 121.98 3lmu s ALA 11 Ca 0.00 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 3lmu s ALA 11 Cb 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.42 3lmu s ALA 11 CO 0.00 -0.22 -0.03 0.42 0.00 0.00 0.00 175.76 175.93 3lmu s ILE 12 N 0.28 1.22 -0.03 0.00 1.09 0.13 -1.81 121.20 122.08 3lmu s ILE 12 Ca -0.00 -1.00 -0.15 0.00 -1.10 0.00 0.00 60.65 58.39 3lmu s ILE 12 Cb -0.03 -1.55 -0.05 0.00 -1.06 0.00 0.00 42.46 39.76 3lmu s ILE 12 CO 0.00 -0.12 0.42 -0.22 -0.10 0.00 0.00 174.94 174.92 3lmu s LEU 13 N 1.54 4.43 0.00 2.97 0.20 -0.76 -0.74 118.68 126.31 3lmu s LEU 13 Ca -0.04 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.70 3lmu s LEU 13 Cb -0.18 -2.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.97 3lmu s LEU 13 CO -0.07 0.25 0.00 -1.20 -0.29 0.00 0.00 176.35 175.05 3lmu n SER 14 N 2.24 1.63 0.00 3.68 7.64 0.57 -2.02 113.62 127.37 3lmu n SER 14 Ca -0.12 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.04 3lmu n SER 14 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3lmu n SER 14 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3lmu n VAL 15 N 0.00 0.00 -4.64 0.44 0.24 -1.26 -3.10 118.33 110.01 3lmu n VAL 15 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 3lmu n VAL 15 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 3lmu n VAL 15 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3lmu s LEU 27 N -0.15 2.97 -0.13 1.34 1.43 -1.26 -5.02 118.68 117.85 3lmu s LEU 27 Ca 0.00 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3lmu s LEU 27 Cb 0.00 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.59 3lmu s LEU 27 CO 0.00 0.22 0.01 -0.70 0.23 0.00 0.00 176.35 176.10 3lmu s GLU 28 N 0.05 0.76 -0.59 1.70 2.12 -1.26 -5.09 118.70 116.38 3lmu s GLU 28 Ca -0.03 -0.18 -0.27 0.00 0.36 0.00 0.00 54.97 54.85 3lmu s GLU 28 Cb -0.14 -1.56 -0.00 0.00 0.26 0.00 0.00 34.13 32.69 3lmu s GLU 28 CO 0.04 -0.45 1.65 0.42 -0.54 0.00 0.00 175.26 176.38 3lmu s ILE 29 N 1.88 3.53 -0.13 -3.70 1.01 -1.26 -4.40 121.20 118.13 3lmu s ILE 29 Ca 0.02 0.38 0.18 0.00 0.00 0.00 0.00 60.65 61.23 3lmu s ILE 29 Cb -0.14 -4.19 -0.18 0.00 0.01 0.00 0.00 42.46 37.96 3lmu s ILE 29 CO -0.07 -1.08 0.65 2.30 0.00 0.00 0.00 174.94 176.75 3lmu n ILE 30 N 7.01 0.97 -3.98 2.92 -5.35 -0.86 -4.98 119.36 115.10 3lmu n ILE 30 Ca 0.16 -0.68 -0.09 0.00 -0.27 0.00 0.00 62.75 61.87 3lmu n ILE 30 Cb 0.50 -0.53 -0.08 0.00 -1.74 0.00 0.00 39.64 37.79 3lmu n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3lmu s SER 31 N -5.48 0.19 -0.29 7.28 0.15 -1.23 -5.04 113.70 109.29 3lmu s SER 31 Ca -0.05 -0.88 -0.18 0.00 0.70 0.00 0.00 55.95 55.54 3lmu s SER 31 Cb 0.09 0.34 0.15 0.00 -1.71 0.00 0.00 66.02 64.89 3lmu s SER 31 CO 0.83 -0.76 1.06 -0.70 1.20 0.00 0.00 173.24 174.87 3lmu s GLU 32 N -3.94 0.33 0.26 5.44 2.12 -1.26 -1.84 118.70 119.82 3lmu s GLU 32 Ca 0.13 0.53 0.08 0.00 0.36 0.00 0.00 54.97 56.06 3lmu s GLU 32 Cb 0.05 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.48 3lmu s GLU 32 CO -0.05 -0.06 -0.10 0.96 -0.54 0.00 0.00 175.26 175.47 3lmu s ILE 33 N 1.02 1.78 0.00 -3.70 -4.36 -0.75 -5.00 121.20 110.19 3lmu s ILE 33 Ca -0.06 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 3lmu s ILE 33 Cb -0.04 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.34 3lmu s ILE 33 CO -0.13 -0.39 0.00 2.29 0.24 0.00 0.00 174.94 176.95 3lmu n LYS 34 N -0.54 0.00 -1.58 0.37 -0.00 -1.26 -1.23 118.16 113.92 3lmu n LYS 34 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.83 3lmu n LYS 34 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.66 3lmu n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3lmu n ASN 35 N 0.00 0.89 0.00 -5.58 3.02 -0.98 -2.61 115.26 109.99 3lmu n ASN 35 Ca 0.00 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 3lmu n ASN 35 Cb 0.00 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 3lmu n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lmu n GLY 36 N 1.30 0.48 3.43 7.41 0.00 -0.25 -2.32 105.19 115.24 3lmu n GLY 36 Ca 0.10 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 3lmu n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lmu s LEU 37 N 0.00 2.47 -0.05 0.99 1.43 -0.85 0.24 118.68 122.91 3lmu s LEU 37 Ca 0.00 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3lmu s LEU 37 Cb 0.00 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3lmu s LEU 37 CO 0.00 0.11 -0.16 -0.51 0.23 0.00 0.00 176.35 176.02 3lmu s ILE 38 N -1.82 1.35 -0.35 -0.59 2.07 -0.22 -2.38 121.20 119.25 3lmu s ILE 38 Ca 0.22 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 3lmu s ILE 38 Cb -0.07 -1.18 0.11 0.00 0.13 0.00 0.00 42.46 41.44 3lmu s ILE 38 CO 0.11 0.40 0.11 0.00 -1.91 0.00 0.00 174.94 173.65 3lmu s PHE 40 N 1.03 3.34 -0.08 0.00 0.08 -0.27 -1.07 117.98 121.02 3lmu s PHE 40 Ca 0.12 1.34 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 3lmu s PHE 40 Cb -0.20 -3.51 0.03 0.00 -0.57 0.00 0.00 43.02 38.77 3lmu s PHE 40 CO -0.13 -1.50 -0.02 -1.17 -0.10 0.00 0.00 175.22 172.29 3lmu s LEU 41 N -0.29 0.79 -0.29 -0.37 2.96 0.66 -2.09 118.68 120.05 3lmu s LEU 41 Ca 0.54 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 3lmu s LEU 41 Cb -0.35 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 3lmu s LEU 41 CO 0.38 -0.16 0.17 -0.83 -1.32 0.00 0.00 176.35 174.59 3lmu s GLY 42 N 1.80 1.89 -0.36 7.98 0.00 0.10 0.55 107.32 119.28 3lmu s GLY 42 Ca 0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 44.72 43.38 3lmu s GLY 42 CO -0.05 0.65 0.52 -0.42 0.00 0.00 0.00 173.10 173.80 3lmu s ILE 43 N 1.70 5.01 0.41 0.90 -1.09 -1.26 -1.50 121.20 125.36 3lmu s ILE 43 Ca 0.06 0.31 -0.24 0.00 -2.23 0.00 0.00 60.65 58.55 3lmu s ILE 43 Cb -0.16 -3.98 -0.09 0.00 -1.58 0.00 0.00 42.46 36.65 3lmu s ILE 43 CO 0.09 -0.25 1.09 -2.28 -1.23 0.00 0.00 174.94 172.36 3lmu s HIS 44 N 2.41 3.15 0.29 3.97 2.46 -1.26 -2.72 115.29 123.59 3lmu s HIS 44 Ca 0.19 1.61 0.01 0.00 0.47 0.00 0.00 55.06 57.34 3lmu s HIS 44 Cb -0.15 -3.23 0.71 0.00 -0.13 0.00 0.00 32.58 29.78 3lmu s HIS 44 CO 0.14 -0.93 1.62 1.57 -2.47 0.00 0.00 174.74 174.67 3lmu h LYS 45 N 2.43 0.13 -0.85 2.88 -0.00 -1.27 0.75 116.57 120.64 3lmu h LYS 45 Ca -0.49 -0.01 -0.45 0.00 -0.00 0.00 0.00 60.65 59.70 3lmu h LYS 45 Cb 1.23 -0.03 -0.26 0.00 -0.00 0.00 0.00 32.23 33.16 3lmu h LYS 45 CO 0.62 0.09 0.49 0.09 -0.00 0.00 0.00 179.45 180.73 3lmu n ASN 46 N -5.31 3.66 -4.71 7.07 3.02 -1.26 -4.76 115.26 112.98 3lmu n ASN 46 Ca 0.21 -3.66 -0.42 0.00 -0.03 0.00 0.00 54.58 50.68 3lmu n ASN 46 Cb 0.70 -0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3lmu n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3lmu s ASP 47 N -1.63 7.01 0.59 6.41 1.01 0.26 -5.02 116.67 125.29 3lmu s ASP 47 Ca 0.55 2.05 -0.01 0.00 0.71 0.00 0.00 52.55 55.84 3lmu s ASP 47 Cb 0.46 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.86 3lmu s ASP 47 CO 0.08 -0.54 0.84 0.42 0.21 0.00 0.00 175.17 176.18 3lmu s THR 48 N 1.34 2.68 -0.49 -1.27 -4.23 -1.26 -4.96 115.64 107.44 3lmu s THR 48 Ca 0.60 -0.53 0.26 0.00 -1.18 0.00 0.00 61.69 60.84 3lmu s THR 48 Cb -0.30 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 70.79 3lmu s THR 48 CO 0.28 -0.04 1.76 -0.25 -0.54 0.00 0.00 174.62 175.84 3lmu h TRP 49 N -0.10 0.00 0.00 3.99 2.91 -2.00 -2.54 115.95 118.22 3lmu h TRP 49 Ca -0.43 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.53 3lmu h TRP 49 Cb 1.30 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.94 3lmu h TRP 49 CO 0.37 0.00 -0.67 0.93 -1.03 0.00 0.00 178.44 178.04 3lmu h GLU 50 N 0.00 0.00 0.16 2.65 4.39 -1.99 -1.53 114.58 118.26 3lmu h GLU 50 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3lmu h GLU 50 Cb 0.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3lmu h GLU 50 CO 0.00 0.19 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.41 3lmu h ASP 51 N 0.00 -0.52 0.53 1.42 3.32 -1.85 -3.10 116.42 116.22 3lmu h ASP 51 Ca -0.03 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3lmu h ASP 51 Cb 1.22 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 3lmu h ASP 51 CO 0.03 -0.28 -0.39 0.00 -1.72 0.00 0.00 179.24 176.88 3lmu h ALA 52 N 0.39 -0.93 -0.52 3.45 0.00 -1.39 -3.06 119.26 117.20 3lmu h ALA 52 Ca 0.01 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.90 3lmu h ALA 52 Cb 0.39 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3lmu h ALA 52 CO -0.07 -1.05 0.38 -0.07 0.00 0.00 0.00 179.25 178.44 3lmu h LEU 53 N -0.90 0.00 0.00 0.00 3.38 -1.35 -1.70 115.31 114.74 3lmu h LEU 53 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3lmu h LEU 53 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3lmu h LEU 53 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3lmu n TYR 54 N -4.33 0.00 0.00 1.13 9.36 -1.16 -1.71 117.16 120.45 3lmu n TYR 54 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3lmu n TYR 54 Cb 0.60 -0.49 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 3lmu n TYR 54 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3lmu n ILE 55 N -2.31 0.00 -0.17 2.97 2.08 -0.65 -0.66 119.36 120.62 3lmu n ILE 55 Ca 0.00 0.97 -0.05 0.00 0.56 0.00 0.00 62.75 64.24 3lmu n ILE 55 Cb 0.00 -1.38 -0.04 0.00 -0.75 0.00 0.00 39.64 37.47 3lmu n ILE 55 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3lmu n ILE 56 N -1.59 -0.28 -0.25 1.39 5.41 -1.15 0.15 119.36 123.05 3lmu n ILE 56 Ca 0.00 1.19 0.05 0.00 1.00 0.00 0.00 62.75 64.99 3lmu n ILE 56 Cb 0.00 -1.49 0.18 0.00 -0.71 0.00 0.00 39.64 37.62 3lmu n ILE 56 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3lmu h ARG 57 N 0.00 0.30 0.18 0.38 2.47 -0.26 0.18 114.38 117.62 3lmu h ARG 57 Ca 0.07 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3lmu h ARG 57 Cb 0.17 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3lmu h ARG 57 CO -0.39 0.20 -0.09 1.57 0.56 0.00 0.00 179.97 181.82 3lmu h LYS 58 N 0.31 -0.23 -0.79 0.04 -0.00 0.37 0.92 116.57 117.18 3lmu h LYS 58 Ca 0.41 0.02 0.29 0.00 -0.00 0.00 0.00 60.65 61.37 3lmu h LYS 58 Cb 0.69 0.05 -0.10 0.00 -0.00 0.00 0.00 32.23 32.87 3lmu h LYS 58 CO -0.48 -0.16 0.48 0.00 -0.00 0.00 0.00 179.45 179.30 3lmu n LEU 60 N -4.16 2.21 -0.27 0.00 4.77 0.62 -4.45 117.00 115.71 3lmu n LEU 60 Ca 0.25 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.48 3lmu n LEU 60 Cb 0.94 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3lmu n LEU 60 CO 0.07 0.77 0.14 0.59 -1.33 0.00 0.00 177.39 177.63 3lmu n ASN 61 N -3.30 1.52 -4.70 -1.43 3.02 0.31 -3.93 115.26 106.76 3lmu n ASN 61 Ca -0.33 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.54 3lmu n ASN 61 Cb 1.04 0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 40.90 3lmu n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lmu s LEU 62 N -2.65 4.39 -0.57 3.41 1.43 0.49 -4.64 118.68 120.53 3lmu s LEU 62 Ca 0.13 2.74 -0.22 0.00 -1.03 0.00 0.00 54.13 55.75 3lmu s LEU 62 Cb 0.16 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.86 3lmu s LEU 62 CO 0.67 -0.97 0.87 -0.13 0.23 0.00 0.00 176.35 177.03 3lmu s ARG 63 N 2.24 3.22 0.00 1.70 0.52 -1.26 -4.00 118.95 121.36 3lmu s ARG 63 Ca 0.78 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 3lmu s ARG 63 Cb -0.46 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 30.90 3lmu s ARG 63 CO 0.34 -1.52 0.71 1.28 0.02 0.00 0.00 175.30 176.14 3lmu n LEU 64 N 7.21 1.35 -4.03 2.53 4.77 0.15 -4.30 117.00 124.69 3lmu n LEU 64 Ca -0.02 -1.35 -0.26 0.00 -0.03 0.00 0.00 56.01 54.35 3lmu n LEU 64 Cb 0.46 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.39 3lmu n LEU 64 CO 0.61 0.34 -0.48 0.26 -1.33 0.00 0.00 177.39 176.80 3lmu s TRP 65 N -0.49 1.65 0.95 -1.77 0.51 -0.62 -4.90 118.94 114.27 3lmu s TRP 65 Ca 0.00 -0.69 -0.11 0.00 -2.12 0.00 0.00 56.10 53.19 3lmu s TRP 65 Cb 0.00 -1.21 0.16 0.00 -0.81 0.00 0.00 33.47 31.61 3lmu s TRP 65 CO 0.00 -0.36 1.12 -0.80 -0.51 0.00 0.00 176.95 176.39 3lmu s ASN 66 N 0.86 2.72 -0.59 2.95 0.01 -1.26 -2.00 114.94 117.62 3lmu s ASN 66 Ca -0.10 1.99 0.06 0.00 -0.71 0.00 0.00 52.86 54.10 3lmu s ASN 66 Cb -0.15 -2.50 0.26 0.00 0.41 0.00 0.00 41.25 39.28 3lmu s ASN 66 CO 0.01 -3.20 0.75 -3.20 -1.51 0.00 0.00 177.10 169.95 3lmu n ASN 67 N -4.28 3.37 0.00 -1.22 5.15 0.17 -4.74 115.26 113.70 3lmu n ASN 67 Ca 0.10 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 3lmu n ASN 67 Cb 0.53 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 3lmu n ASN 67 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3lmu n ASP 68 N 0.75 0.00 -0.96 1.20 5.68 -1.26 -3.02 116.55 118.94 3lmu n ASP 68 Ca 0.29 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.68 3lmu n ASP 68 Cb 0.43 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.57 3lmu n ASP 68 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3lmu n ASN 69 N 9.94 3.09 -4.46 -1.12 6.94 -1.26 -4.73 115.26 123.67 3lmu n ASN 69 Ca 0.00 -1.91 -0.44 0.00 -0.02 0.00 0.00 54.58 52.21 3lmu n ASN 69 Cb 0.00 -0.16 -0.01 0.00 -2.36 0.00 0.00 39.78 37.25 3lmu n ASN 69 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3lmu s LYS 70 N -1.45 3.86 0.81 -3.83 0.00 -1.17 -5.03 119.74 112.94 3lmu s LYS 70 Ca 0.31 -2.18 -0.12 0.00 0.00 0.00 0.00 55.97 53.98 3lmu s LYS 70 Cb 0.19 -5.01 0.08 0.00 0.00 0.00 0.00 37.83 33.09 3lmu s LYS 70 CO 0.27 -1.79 1.15 0.95 0.00 0.00 0.00 175.35 175.94 3lmu s THR 71 N 2.18 2.48 -1.27 3.79 -4.23 -1.26 -0.66 115.64 116.67 3lmu s THR 71 Ca 0.38 0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 60.90 3lmu s THR 71 Cb -0.04 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.32 3lmu s THR 71 CO -0.04 -0.18 0.33 0.79 -0.54 0.00 0.00 174.62 174.98 3lmu n TRP 72 N -3.49 -1.21 -0.08 3.99 7.02 -1.26 -4.81 117.44 117.59 3lmu n TRP 72 Ca 0.12 0.28 -0.12 0.00 -1.02 0.00 0.00 57.50 56.76 3lmu n TRP 72 Cb 0.52 -2.57 -0.08 0.00 -2.42 0.00 0.00 31.31 26.76 3lmu n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3lmu n ASP 73 N -2.25 2.66 -4.52 -0.99 2.03 -0.99 -4.72 116.55 107.78 3lmu n ASP 73 Ca -0.20 -0.08 -0.30 0.00 0.52 0.00 0.00 54.79 54.74 3lmu n ASP 73 Cb 0.58 -0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 40.60 3lmu n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3lmu s LYS 74 N -2.33 2.02 0.55 -0.67 -0.14 -0.84 -4.87 119.74 113.45 3lmu s LYS 74 Ca -0.22 -1.05 0.08 0.00 -1.36 0.00 0.00 55.97 53.42 3lmu s LYS 74 Cb 0.06 -2.23 0.07 0.00 -1.68 0.00 0.00 37.83 34.05 3lmu s LYS 74 CO 0.38 0.51 0.65 0.54 -0.76 0.00 0.00 175.35 176.67 3lmu s ASN 75 N -1.99 4.99 0.26 2.83 2.20 -1.26 0.35 114.94 122.32 3lmu s ASN 75 Ca 0.19 -0.94 -0.05 0.00 -0.94 0.00 0.00 52.86 51.11 3lmu s ASN 75 Cb -0.11 0.25 0.29 0.00 -2.00 0.00 0.00 41.25 39.69 3lmu s ASN 75 CO 0.10 -1.22 1.93 1.62 -2.94 0.00 0.00 177.10 176.59 3lmu h VAL 76 N 0.40 1.25 -0.06 3.54 3.04 -1.73 -1.77 116.25 120.92 3lmu h VAL 76 Ca -0.33 -0.48 -0.13 0.00 -1.01 0.00 0.00 66.70 64.76 3lmu h VAL 76 Cb 1.29 -0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 3lmu h VAL 76 CO 0.46 0.25 -0.55 0.11 -1.01 0.00 0.00 177.57 176.83 3lmu h LYS 77 N 1.30 0.16 -0.02 4.17 1.57 -1.87 -2.33 116.57 119.55 3lmu h LYS 77 Ca 0.35 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3lmu h LYS 77 Cb -0.13 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3lmu h LYS 77 CO -0.07 0.67 0.02 -0.44 -0.57 0.00 0.00 179.45 179.06 3lmu h ASP 78 N 0.13 0.00 -0.39 0.86 3.32 -1.66 -1.85 116.42 116.82 3lmu h ASP 78 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lmu h ASP 78 Cb 1.02 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3lmu h ASP 78 CO 0.08 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.78 3lmu n LEU 79 N -4.53 3.30 -3.69 1.55 4.77 -1.04 -4.99 117.00 112.37 3lmu n LEU 79 Ca -0.02 -1.59 -0.31 0.00 -0.03 0.00 0.00 56.01 54.06 3lmu n LEU 79 Cb 0.11 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3lmu n LEU 79 CO 0.34 0.74 -0.27 0.59 -1.33 0.00 0.00 177.39 177.46 3lmu n ASN 80 N 1.29 -5.07 -4.61 -1.43 3.02 -0.70 -5.01 115.26 102.75 3lmu n ASN 80 Ca 0.18 -0.66 -0.28 0.00 -0.03 0.00 0.00 54.58 53.79 3lmu n ASN 80 Cb 0.55 -1.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.00 3lmu n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3lmu s TYR 81 N -2.38 2.43 0.49 3.10 2.02 -0.91 -5.05 117.35 117.05 3lmu s TYR 81 Ca 0.15 -0.72 0.08 0.00 -0.37 0.00 0.00 57.07 56.22 3lmu s TYR 81 Cb -0.02 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3lmu s TYR 81 CO 0.89 0.39 0.61 -1.21 -1.57 0.00 0.00 175.55 174.67 3lmu s GLU 82 N -3.74 2.52 -0.09 -0.62 2.02 -0.98 -4.79 118.70 113.03 3lmu s GLU 82 Ca 0.33 -1.52 -0.05 0.00 0.02 0.00 0.00 54.97 53.75 3lmu s GLU 82 Cb 0.09 -2.59 0.04 0.00 0.10 0.00 0.00 34.13 31.76 3lmu s GLU 82 CO 0.17 -0.53 0.21 -0.51 0.02 0.00 0.00 175.26 174.62 3lmu s LEU 83 N -4.44 0.75 -0.53 1.80 1.02 -0.59 -2.01 118.68 114.68 3lmu s LEU 83 Ca 0.55 0.44 -0.01 0.00 0.02 0.00 0.00 54.13 55.13 3lmu s LEU 83 Cb -0.07 0.65 0.14 0.00 0.02 0.00 0.00 46.19 46.93 3lmu s LEU 83 CO 0.33 -0.13 0.32 -0.22 0.02 0.00 0.00 176.35 176.68 3lmu s LEU 84 N 0.85 5.07 -0.00 1.79 2.96 -1.00 -0.34 118.68 128.00 3lmu s LEU 84 Ca -0.06 -2.61 -0.30 0.00 -0.22 0.00 0.00 54.13 50.94 3lmu s LEU 84 Cb -0.08 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3lmu s LEU 84 CO -0.05 -0.40 1.23 -0.63 -1.32 0.00 0.00 176.35 175.19 3lmu s ILE 85 N 0.29 4.09 -0.20 6.68 -1.09 -0.20 -2.61 121.20 128.16 3lmu s ILE 85 Ca 0.14 1.46 -0.00 0.00 -2.23 0.00 0.00 60.65 60.02 3lmu s ILE 85 Cb -0.22 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3lmu s ILE 85 CO -0.03 0.04 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.97 3lmu s VAL 86 N 1.83 1.29 -0.22 2.92 1.01 -0.24 -3.96 120.40 123.04 3lmu s VAL 86 Ca 0.58 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 3lmu s VAL 86 Cb -0.27 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 3lmu s VAL 86 CO 0.25 0.01 2.14 -0.24 0.00 0.00 0.00 175.10 177.26 3lmu n SER 87 N 4.78 3.01 -4.15 3.32 2.88 -1.26 -0.24 113.62 121.95 3lmu n SER 87 Ca -0.12 0.44 -0.34 0.00 -1.33 0.00 0.00 58.87 57.52 3lmu n SER 87 Cb 0.46 -1.43 -0.15 0.00 -0.75 0.00 0.00 64.21 62.34 3lmu n SER 87 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3lmu s GLN 88 N 5.81 2.62 -0.03 -1.46 2.00 0.19 -4.80 119.66 123.99 3lmu s GLN 88 Ca 1.01 -1.11 0.03 0.00 -2.00 0.00 0.00 55.36 53.29 3lmu s GLN 88 Cb -0.56 -2.96 -0.25 0.00 0.80 0.00 0.00 33.01 30.04 3lmu s GLN 88 CO 0.43 -0.47 0.71 0.27 -0.50 0.00 0.00 175.29 175.73 3lmu h PHE 89 N 7.94 0.25 0.00 1.67 -5.15 -1.93 -3.21 116.94 116.51 3lmu h PHE 89 Ca -0.28 -0.18 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3lmu h PHE 89 Cb 1.08 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.25 3lmu h PHE 89 CO 0.59 1.29 0.00 0.25 -2.00 0.00 0.00 178.31 178.44 3lmu n THR 90 N -3.29 0.12 0.27 0.88 -2.24 -1.26 -0.69 114.28 108.06 3lmu n THR 90 Ca -0.19 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.77 3lmu n THR 90 Cb 1.04 -0.97 0.69 0.00 -2.10 0.00 0.00 70.33 68.98 3lmu n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3lmu h LEU 91 N 0.00 0.00 -3.96 3.22 3.38 -1.96 -2.14 115.31 113.85 3lmu h LEU 91 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3lmu h LEU 91 Cb 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.41 3lmu h LEU 91 CO 0.00 0.08 0.21 0.49 0.09 0.00 0.00 178.44 179.31 3lmu n PHE 92 N -3.27 3.05 -3.05 1.13 3.72 0.13 -4.89 117.46 114.28 3lmu n PHE 92 Ca -0.00 -2.71 -0.44 0.00 -0.05 0.00 0.00 57.45 54.24 3lmu n PHE 92 Cb 0.30 -1.00 -0.04 0.00 -0.94 0.00 0.00 39.48 37.81 3lmu n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3lmu s GLY 93 N -2.51 1.82 -0.04 1.37 0.00 -0.81 -3.99 107.32 103.17 3lmu s GLY 93 Ca 0.59 -2.38 -0.30 0.00 0.00 0.00 0.00 44.72 42.63 3lmu s GLY 93 CO -0.01 1.71 1.42 0.21 0.00 0.00 0.00 173.10 176.44 3lmu s ASN 94 N 3.49 6.83 0.00 1.64 3.84 -1.06 -4.81 114.94 124.88 3lmu s ASN 94 Ca 0.18 2.06 0.02 0.00 0.21 0.00 0.00 52.86 55.33 3lmu s ASN 94 Cb -0.18 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.02 3lmu s ASN 94 CO 0.02 -0.77 0.98 0.35 -2.79 0.00 0.00 177.10 174.89 3lmu n THR 95 N 4.96 0.85 -0.15 -5.21 -2.24 -1.26 -3.51 114.28 107.72 3lmu n THR 95 Ca 0.14 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 3lmu n THR 95 Cb 0.44 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 3lmu n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3lmu h LYS 96 N 0.40 0.97 0.00 -0.78 6.56 -1.96 -3.40 116.57 118.36 3lmu h LYS 96 Ca 0.00 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 3lmu h LYS 96 Cb 0.48 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 3lmu h LYS 96 CO 0.00 1.12 0.00 0.36 -2.06 0.00 0.00 179.45 178.87 3lmu n LYS 97 N -4.10 0.00 -2.43 3.15 0.00 -1.26 -4.93 118.16 108.58 3lmu n LYS 97 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.07 3lmu n LYS 97 Cb 0.49 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.58 3lmu n LYS 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3lmu s GLY 98 N 0.00 1.76 -0.02 2.58 0.00 -1.26 -4.96 107.32 105.42 3lmu s GLY 98 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.57 3lmu s GLY 98 CO 0.00 -0.81 0.91 0.70 0.00 0.00 0.00 173.10 173.90 3lmu n ASN 99 N -2.66 1.13 -4.08 1.64 4.13 -1.26 -4.56 115.26 109.61 3lmu n ASN 99 Ca 0.09 -2.07 -0.30 0.00 1.68 0.00 0.00 54.58 53.98 3lmu n ASN 99 Cb 0.60 -0.28 -0.17 0.00 -1.54 0.00 0.00 39.78 38.39 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3lmu s LYS 100 N -1.59 2.49 0.00 3.52 3.01 -1.26 -5.15 119.74 120.76 3lmu s LYS 100 Ca 0.08 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.39 3lmu s LYS 100 Cb 0.05 -2.13 0.00 0.00 -1.01 0.00 0.00 37.83 34.75 3lmu s LYS 100 CO 0.04 -0.11 0.00 -2.30 0.51 0.00 0.00 175.35 173.49 3lmu n PRO 101 N 4.35 2.41 0.00 -1.68 -0.02 -1.26 -4.97 135.00 133.83 3lmu n PRO 101 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3lmu n PRO 101 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3lmu n PRO 101 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3lmu n ASP 102 N 0.00 0.00 -1.51 2.55 2.03 -1.23 -4.91 116.55 113.48 3lmu n ASP 102 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 3lmu n ASP 102 Cb 0.00 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.63 3lmu n ASP 102 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3lmu n PHE 103 N 0.00 1.52 -0.26 -0.67 3.72 -1.26 -2.56 117.46 117.95 3lmu n PHE 103 Ca 0.00 -0.70 0.21 0.00 -0.05 0.00 0.00 57.45 56.91 3lmu n PHE 103 Cb 0.00 -0.45 0.53 0.00 -0.94 0.00 0.00 39.48 38.61 3lmu n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3lmu h HIS 104 N 2.12 0.53 0.00 1.38 3.86 -1.98 -0.46 115.15 120.61 3lmu h HIS 104 Ca 0.10 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3lmu h HIS 104 Cb 1.66 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.97 3lmu h HIS 104 CO 0.80 0.11 0.00 1.47 0.86 0.00 0.00 177.93 181.17 3lmu n LEU 105 N -4.52 0.00 -4.79 2.43 -0.00 -1.26 -4.79 117.00 104.07 3lmu n LEU 105 Ca 0.21 0.21 -0.34 0.00 -0.00 0.00 0.00 56.01 56.08 3lmu n LEU 105 Cb 0.77 -0.21 -0.02 0.00 -0.00 0.00 0.00 43.42 43.96 3lmu n LEU 105 CO 0.30 -0.09 0.74 0.00 -0.00 0.00 0.00 177.39 178.34 3lmu s ALA 106 N -2.42 2.81 0.21 1.47 0.00 -0.18 -1.07 121.76 122.57 3lmu s ALA 106 Ca 0.18 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 3lmu s ALA 106 Cb 0.11 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 3lmu s ALA 106 CO 0.24 -0.49 1.04 -1.59 0.00 0.00 0.00 175.76 174.95 3lmu s LYS 107 N -3.23 4.69 0.10 0.00 -2.85 -1.10 -4.21 119.74 113.14 3lmu s LYS 107 Ca 0.69 1.64 -0.27 0.00 -1.00 0.00 0.00 55.97 57.03 3lmu s LYS 107 Cb -0.20 -3.27 -0.15 0.00 -2.06 0.00 0.00 37.83 32.15 3lmu s LYS 107 CO 0.23 0.25 0.61 0.39 0.10 0.00 0.00 175.35 176.92 3lmu n GLU 108 N 1.93 0.00 -0.28 1.78 4.71 -1.26 -4.34 120.64 123.18 3lmu n GLU 108 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.21 3lmu n GLU 108 Cb 0.47 -0.98 0.16 0.00 -1.01 0.00 0.00 31.44 30.07 3lmu n GLU 108 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3lmu h PRO 109 N 1.48 0.05 0.23 3.49 0.11 -1.99 0.45 132.00 135.83 3lmu h PRO 109 Ca -0.31 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3lmu h PRO 109 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3lmu h PRO 109 CO 0.49 0.03 -0.11 -0.91 -0.21 0.00 0.00 178.00 177.30 3lmu h ASN 110 N 0.05 -0.26 -0.58 -2.05 4.21 -2.00 -2.04 115.58 112.91 3lmu h ASN 110 Ca 0.43 -0.23 0.06 0.00 1.21 0.00 0.00 56.30 57.78 3lmu h ASN 110 Cb 0.75 0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 37.93 3lmu h ASN 110 CO -0.76 0.11 -0.56 -0.33 -1.29 0.00 0.00 177.43 174.60 3lmu h GLU 111 N -0.68 -0.27 -0.47 0.81 3.07 -1.63 -1.50 114.58 113.91 3lmu h GLU 111 Ca -0.03 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3lmu h GLU 111 Cb 0.47 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3lmu h GLU 111 CO 0.05 -0.18 0.29 0.00 -1.40 0.00 0.00 179.01 177.77 3lmu h ALA 112 N 0.14 1.62 -0.59 3.43 0.00 -0.98 0.11 119.26 122.99 3lmu h ALA 112 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3lmu h ALA 112 Cb 0.54 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3lmu h ALA 112 CO -0.70 0.33 0.30 1.25 0.00 0.00 0.00 179.25 180.44 3lmu h LEU 113 N 0.64 0.43 -0.34 0.00 5.85 -0.52 2.08 115.31 123.45 3lmu h LEU 113 Ca 0.17 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 3lmu h LEU 113 Cb -0.03 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3lmu h LEU 113 CO -0.03 0.29 -0.36 0.40 -0.34 0.00 0.00 178.44 178.40 3lmu h ILE 114 N 0.57 1.28 0.23 4.05 2.04 -0.66 -2.43 117.51 122.59 3lmu h ILE 114 Ca 0.27 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3lmu h ILE 114 Cb 0.19 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3lmu h ILE 114 CO -0.19 0.50 -0.22 -0.26 0.00 0.00 0.00 178.15 177.99 3lmu h PHE 115 N 0.63 -0.57 -0.93 1.37 0.05 0.04 -2.60 116.94 114.92 3lmu h PHE 115 Ca 0.05 0.00 0.13 0.00 3.82 0.00 0.00 57.97 61.97 3lmu h PHE 115 Cb 0.95 0.22 -0.08 0.00 2.00 0.00 0.00 35.95 39.04 3lmu h PHE 115 CO 0.07 -0.32 0.60 -0.92 -0.18 0.00 0.00 178.31 177.55 3lmu h TYR 116 N -0.47 0.96 -0.17 -0.55 3.20 0.35 -0.47 116.97 119.82 3lmu h TYR 116 Ca -0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3lmu h TYR 116 Cb 0.44 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3lmu h TYR 116 CO -0.15 0.38 -0.51 -0.91 -1.64 0.00 0.00 178.16 175.33 3lmu h ASN 117 N 0.83 0.52 -0.57 -2.11 2.35 -1.37 -2.51 115.58 112.72 3lmu h ASN 117 Ca 0.46 -0.26 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 3lmu h ASN 117 Cb 0.59 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 3lmu h ASN 117 CO -0.23 0.94 0.27 0.11 -1.65 0.00 0.00 177.43 176.87 3lmu h LYS 118 N 0.37 0.49 -0.15 0.81 6.56 -0.69 0.18 116.57 124.13 3lmu h LYS 118 Ca 0.01 -0.03 -0.17 0.00 -1.06 0.00 0.00 60.65 59.41 3lmu h LYS 118 Cb 1.02 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.57 3lmu h LYS 118 CO 0.09 0.32 -0.61 0.82 -2.06 0.00 0.00 179.45 178.01 3lmu h ILE 119 N 0.50 1.33 -0.52 1.86 2.04 -1.41 -0.36 117.51 120.95 3lmu h ILE 119 Ca 0.27 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3lmu h ILE 119 Cb 0.23 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3lmu h ILE 119 CO -0.21 0.58 0.27 0.40 0.00 0.00 0.00 178.15 179.19 3lmu h ILE 120 N 0.39 1.16 0.63 -0.67 1.08 -1.08 0.69 117.51 119.72 3lmu h ILE 120 Ca -0.01 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 3lmu h ILE 120 Cb 1.16 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 35.40 3lmu h ILE 120 CO 0.11 0.18 -0.30 0.44 -0.69 0.00 0.00 178.15 177.89 3lmu h ASP 121 N 0.72 -0.71 -0.13 1.72 3.32 -0.41 -2.81 116.42 118.12 3lmu h ASP 121 Ca 0.18 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.27 3lmu h ASP 121 Cb 0.04 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 3lmu h ASP 121 CO -0.03 -0.43 -0.31 -0.33 -1.72 0.00 0.00 179.24 176.41 3lmu h GLU 122 N -0.96 -0.37 -0.82 3.56 3.07 -0.43 -2.00 114.58 116.62 3lmu h GLU 122 Ca -0.09 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 58.95 3lmu h GLU 122 Cb 0.68 0.09 -0.15 0.00 -0.84 0.00 0.00 28.75 28.53 3lmu h GLU 122 CO 0.14 -0.25 -0.29 0.74 -1.40 0.00 0.00 179.01 177.95 3lmu h PHE 123 N -0.39 -0.73 -0.03 4.33 0.04 0.33 -0.73 116.94 119.76 3lmu h PHE 123 Ca 0.10 0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 3lmu h PHE 123 Cb 0.54 0.44 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 3lmu h PHE 123 CO -0.40 -0.38 -0.28 0.87 -0.60 0.00 0.00 178.31 177.52 3lmu h LYS 124 N -0.04 0.06 0.69 1.51 1.57 -1.10 -1.91 116.57 117.34 3lmu h LYS 124 Ca 0.35 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3lmu h LYS 124 Cb 0.60 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.91 3lmu h LYS 124 CO -0.85 0.33 -0.33 0.87 -0.57 0.00 0.00 179.45 178.90 3lmu h LYS 125 N 0.05 -0.89 -0.66 3.15 1.79 -0.73 -3.06 116.57 116.22 3lmu h LYS 125 Ca 0.01 0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.66 3lmu h LYS 125 Cb 0.52 0.20 -0.13 0.00 -1.58 0.00 0.00 32.23 31.25 3lmu h LYS 125 CO 0.04 -0.59 -0.24 -0.56 -1.08 0.00 0.00 179.45 177.01 3lmu h GLN 126 N -0.93 -0.07 0.00 3.15 -0.00 -1.36 -3.44 115.11 112.47 3lmu h GLN 126 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 3lmu h GLN 126 Cb 0.71 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 3lmu h GLN 126 CO 0.16 -0.05 0.00 0.98 -0.00 0.00 0.00 178.83 179.92 3lmu n TYR 127 N -5.46 0.00 -3.74 0.06 9.36 -0.73 -5.10 117.16 111.55 3lmu n TYR 127 Ca 0.07 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.92 3lmu n TYR 127 Cb 0.36 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.01 3lmu n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3lmu s ASN 128 N -0.96 6.49 0.24 2.98 2.47 -1.25 -4.84 114.94 120.07 3lmu s ASN 128 Ca 0.00 0.59 -0.05 0.00 0.42 0.00 0.00 52.86 53.81 3lmu s ASN 128 Cb 0.00 -2.13 0.36 0.00 -1.45 0.00 0.00 41.25 38.03 3lmu s ASN 128 CO 0.00 0.35 1.81 -0.78 -3.72 0.00 0.00 177.10 174.76 3lmu h ASP 129 N 5.16 0.64 0.24 -4.21 -0.00 -1.95 -1.91 116.42 114.38 3lmu h ASP 129 Ca -0.52 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 3lmu h ASP 129 Cb 1.22 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.47 3lmu h ASP 129 CO 0.62 0.38 0.00 0.47 -0.00 0.00 0.00 179.24 180.70 3lmu n ASP 130 N -4.76 0.00 -0.51 2.28 8.00 -1.26 -3.45 116.55 116.85 3lmu n ASP 130 Ca 0.12 0.49 0.08 0.00 0.71 0.00 0.00 54.79 56.19 3lmu n ASP 130 Cb 0.25 -0.49 0.03 0.00 -0.02 0.00 0.00 41.12 40.89 3lmu n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3lmu n LYS 131 N -1.49 1.54 -4.23 -1.24 4.76 -0.72 -4.92 118.16 111.86 3lmu n LYS 131 Ca 0.02 -1.13 -0.34 0.00 -2.87 0.00 0.00 58.31 53.99 3lmu n LYS 131 Cb 0.08 -1.30 -0.14 0.00 -1.84 0.00 0.00 35.03 31.84 3lmu n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lmu s ILE 132 N -1.69 3.42 0.27 -0.18 -1.09 -1.22 -1.54 121.20 119.17 3lmu s ILE 132 Ca 0.16 -0.50 0.12 0.00 -2.23 0.00 0.00 60.65 58.20 3lmu s ILE 132 Cb 0.14 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 3lmu s ILE 132 CO 0.32 0.46 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.77 3lmu s LYS 133 N 0.95 1.73 0.19 2.79 -0.14 0.53 -5.00 119.74 120.80 3lmu s LYS 133 Ca -0.01 -1.71 -0.07 0.00 -1.36 0.00 0.00 55.97 52.82 3lmu s LYS 133 Cb -0.15 -1.82 -0.02 0.00 -1.68 0.00 0.00 37.83 34.17 3lmu s LYS 133 CO 0.00 0.34 0.27 0.96 -0.76 0.00 0.00 175.35 176.16 3lmu s ILE 134 N -2.42 0.03 0.10 2.17 -4.36 -1.26 -1.03 121.20 114.44 3lmu s ILE 134 Ca 0.29 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 3lmu s ILE 134 Cb -0.05 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.53 3lmu s ILE 134 CO 0.15 -0.15 0.13 0.61 0.24 0.00 0.00 174.94 175.92 3lmu n GLY 135 N -0.26 2.14 3.35 6.27 0.00 -1.25 -4.64 105.19 110.79 3lmu n GLY 135 Ca -0.03 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.38 3lmu n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lmu s LYS 136 N -2.46 3.08 0.47 1.61 2.20 -1.26 -5.04 119.74 118.34 3lmu s LYS 136 Ca 0.10 -1.54 -0.20 0.00 -0.36 0.00 0.00 55.97 53.97 3lmu s LYS 136 Cb -0.01 -4.31 -0.13 0.00 -1.51 0.00 0.00 37.83 31.88 3lmu s LYS 136 CO 0.06 -1.46 0.31 0.34 -0.36 0.00 0.00 175.35 174.24 3lmu n PHE 137 N 5.83 -1.36 -3.17 4.03 -0.00 -1.26 -1.97 117.46 119.56 3lmu n PHE 137 Ca -0.08 0.54 -0.19 0.00 -0.00 0.00 0.00 57.45 57.71 3lmu n PHE 137 Cb 0.42 -1.88 -0.01 0.00 -0.00 0.00 0.00 39.48 38.01 3lmu n PHE 137 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3lmu n GLY 138 N 2.04 -0.48 3.09 7.13 0.00 -1.26 -4.92 105.19 110.80 3lmu n GLY 138 Ca 0.11 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3lmu n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lmu s ASN 139 N -2.52 1.37 0.01 1.61 0.02 -0.83 -5.10 114.94 109.49 3lmu s ASN 139 Ca 0.30 -0.38 -0.30 0.00 -1.02 0.00 0.00 52.86 51.46 3lmu s ASN 139 Cb -0.16 -0.09 -0.07 0.00 0.02 0.00 0.00 41.25 40.94 3lmu s ASN 139 CO 0.37 0.03 1.72 -0.47 0.02 0.00 0.00 177.10 178.77 3lmu s TYR 140 N -0.72 1.97 0.36 2.20 5.04 -1.26 -4.88 117.35 120.07 3lmu s TYR 140 Ca 0.01 0.09 0.08 0.00 -2.44 0.00 0.00 57.07 54.81 3lmu s TYR 140 Cb -0.07 -4.01 -0.05 0.00 0.35 0.00 0.00 41.96 38.19 3lmu s TYR 140 CO 0.01 -4.25 0.13 -1.64 -1.34 0.00 0.00 175.55 168.46 3lmu s MET 141 N 3.65 2.28 -0.26 4.97 -1.94 -1.26 -4.54 119.30 122.19 3lmu s MET 141 Ca 0.77 -1.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.05 3lmu s MET 141 Cb -0.38 -2.08 0.09 0.00 2.01 0.00 0.00 34.83 34.47 3lmu s MET 141 CO 0.33 0.06 0.12 1.21 -0.01 0.00 0.00 175.02 176.73 3lmu s ASN 142 N -3.83 3.20 -0.27 3.03 2.47 -1.18 -4.93 114.94 113.42 3lmu s ASN 142 Ca 0.38 -1.10 -0.06 0.00 0.42 0.00 0.00 52.86 52.49 3lmu s ASN 142 Cb -0.01 -0.30 -0.00 0.00 -1.45 0.00 0.00 41.25 39.49 3lmu s ASN 142 CO 0.22 -0.42 0.06 -0.63 -3.72 0.00 0.00 177.10 172.61 3lmu s ILE 143 N 2.12 3.91 -0.55 -5.21 1.01 -1.26 -0.31 121.20 120.91 3lmu s ILE 143 Ca 0.07 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 3lmu s ILE 143 Cb -0.16 -2.95 0.05 0.00 0.01 0.00 0.00 42.46 39.42 3lmu s ILE 143 CO -0.30 0.18 0.80 -1.81 0.00 0.00 0.00 174.94 173.81 3lmu s ASP 144 N 1.51 6.26 -0.07 3.58 1.01 0.08 -4.89 116.67 124.15 3lmu s ASP 144 Ca 0.04 -0.72 -0.01 0.00 0.71 0.00 0.00 52.55 52.57 3lmu s ASP 144 Cb -0.16 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3lmu s ASP 144 CO 0.02 -1.11 0.00 -0.69 0.21 0.00 0.00 175.17 173.60 3lmu s VAL 145 N 3.34 4.29 -0.31 -1.27 1.01 -1.26 0.19 120.40 126.38 3lmu s VAL 145 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 3lmu s VAL 145 Cb -0.16 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.46 3lmu s VAL 145 CO 0.14 0.56 0.01 -0.89 0.00 0.00 0.00 175.10 174.92 3lmu s THR 146 N -0.93 2.74 -0.15 3.92 2.01 0.15 -4.99 115.64 118.40 3lmu s THR 146 Ca 0.15 -1.67 -0.24 0.00 0.31 0.00 0.00 61.69 60.23 3lmu s THR 146 Cb -0.11 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 3lmu s THR 146 CO 0.04 -0.24 0.75 0.20 -0.69 0.00 0.00 174.62 174.68 3lmu s ASN 147 N 1.25 6.91 -0.62 3.53 -0.87 -1.26 -0.77 114.94 123.11 3lmu s ASN 147 Ca -0.02 1.11 -0.10 0.00 -1.57 0.00 0.00 52.86 52.28 3lmu s ASN 147 Cb -0.20 -2.42 0.16 0.00 -0.02 0.00 0.00 41.25 38.77 3lmu s ASN 147 CO -0.03 -0.30 0.51 -0.62 -2.57 0.00 0.00 177.10 174.09 3lmu s ASP 148 N 1.07 5.95 0.00 -1.22 2.15 -0.52 -4.64 116.67 119.46 3lmu s ASP 148 Ca 0.36 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 50.96 3lmu s ASP 148 Cb -0.17 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3lmu s ASP 148 CO 0.14 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 3lmu n GLY 149 N 4.29 0.99 0.90 2.66 0.00 -1.26 -4.07 105.19 108.69 3lmu n GLY 149 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 3lmu n GLY 149 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lmu n PRO 150 N 0.00 -0.77 -3.25 1.61 -0.02 -1.26 -5.16 135.00 126.14 3lmu n PRO 150 Ca 0.00 -0.47 -0.05 0.00 -2.02 0.00 0.00 63.50 60.97 3lmu n PRO 150 Cb 0.00 -0.35 -0.04 0.00 -0.02 0.00 0.00 33.50 33.09 3lmu n PRO 150 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lmu s VAL 151 N -1.62 -0.76 -0.24 -1.45 1.01 -1.26 -5.01 120.40 111.09 3lmu s VAL 151 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3lmu s VAL 151 Cb -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3lmu s VAL 151 CO 0.13 -0.19 -0.00 -0.89 0.00 0.00 0.00 175.10 174.14 3lmu s THR 152 N 2.63 3.61 -0.08 3.92 2.01 -1.26 -1.77 115.64 124.71 3lmu s THR 152 Ca 0.10 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3lmu s THR 152 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3lmu s THR 152 CO -0.29 0.35 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.28 3lmu s ILE 153 N 1.50 3.60 0.15 1.82 1.09 -0.60 -4.97 121.20 123.79 3lmu s ILE 153 Ca 0.05 -0.50 0.09 0.00 -1.10 0.00 0.00 60.65 59.19 3lmu s ILE 153 Cb -0.15 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.72 3lmu s ILE 153 CO -0.01 0.58 -0.14 -0.47 -0.10 0.00 0.00 174.94 174.79 3lmu s TYR 154 N -0.52 2.57 -0.16 3.97 5.04 -1.26 -0.95 117.35 126.04 3lmu s TYR 154 Ca 0.08 -0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 54.36 3lmu s TYR 154 Cb -0.12 -1.30 0.05 0.00 0.35 0.00 0.00 41.96 40.94 3lmu s TYR 154 CO 0.02 0.46 0.38 0.42 -1.34 0.00 0.00 175.55 175.49 3lmu s ILE 155 N -1.45 -0.02 -0.17 3.14 1.01 -0.56 -4.98 121.20 118.16 3lmu s ILE 155 Ca 0.22 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.95 3lmu s ILE 155 Cb -0.10 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.83 3lmu s ILE 155 CO 0.13 0.03 -0.19 -0.62 0.00 0.00 0.00 174.94 174.29 3lmu s ASP 156 N 1.08 3.02 0.40 3.58 -1.08 -1.26 -1.07 116.67 121.33 3lmu s ASP 156 Ca -0.07 -0.61 0.21 0.00 -0.52 0.00 0.00 52.55 51.56 3lmu s ASP 156 Cb -0.07 -1.41 0.74 0.00 -1.46 0.00 0.00 42.92 40.72 3lmu s ASP 156 CO -0.09 -0.01 1.75 0.71 0.52 0.00 0.00 175.17 178.05 3lmu h THR 157 N 5.97 0.70 0.00 1.71 1.35 -1.75 -3.24 112.91 117.65 3lmu h THR 157 Ca -0.44 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3lmu h THR 157 Cb 1.14 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3lmu h THR 157 CO 0.61 0.30 0.00 1.41 -0.25 0.00 0.00 175.52 177.59 3lmu n HIS 158 N -3.43 0.00 -0.62 4.73 8.25 -1.26 -5.04 115.22 117.85 3lmu n HIS 158 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3lmu n HIS 158 Cb 0.49 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73