#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 0.81 -0.02 3.17 0.52 -0.15 -0.80 118.95 122.48 3lmu s ARG 2 Ca 0.00 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.00 3lmu s ARG 2 Cb 0.00 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.70 3lmu s ARG 2 CO 0.00 0.07 -0.07 0.54 0.02 0.00 0.00 175.30 175.85 3lmu s VAL 3 N 0.30 0.62 -0.21 3.52 0.11 -0.35 0.86 120.40 125.25 3lmu s VAL 3 Ca -0.04 -0.29 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 3lmu s VAL 3 Cb -0.09 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3lmu s VAL 3 CO 0.00 0.20 0.00 -0.69 -3.33 0.00 0.00 175.10 171.28 3lmu s VAL 4 N 0.14 3.91 -0.17 2.04 1.01 -0.74 -1.39 120.40 125.20 3lmu s VAL 4 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3lmu s VAL 4 Cb -0.07 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3lmu s VAL 4 CO 0.00 0.41 -0.02 -0.63 0.00 0.00 0.00 175.10 174.86 3lmu s ILE 5 N 1.17 3.98 -0.15 2.22 1.01 0.13 -1.31 121.20 128.25 3lmu s ILE 5 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3lmu s ILE 5 Cb -0.14 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.57 3lmu s ILE 5 CO 0.01 0.47 -0.21 -1.10 0.00 0.00 0.00 174.94 174.12 3lmu s GLN 6 N 0.52 3.02 0.10 2.79 -1.52 -0.37 -0.92 119.66 123.28 3lmu s GLN 6 Ca -0.02 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.24 3lmu s GLN 6 Cb -0.14 -2.49 -0.06 0.00 -0.22 0.00 0.00 33.01 30.10 3lmu s GLN 6 CO 0.02 -0.08 1.17 0.50 -0.25 0.00 0.00 175.29 176.66 3lmu s ARG 7 N 0.98 4.48 0.06 2.91 3.52 -0.90 -0.94 118.95 129.05 3lmu s ARG 7 Ca -0.03 1.76 0.02 0.00 -0.13 0.00 0.00 55.73 57.35 3lmu s ARG 7 Cb -0.15 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3lmu s ARG 7 CO -0.06 -0.16 -0.07 0.14 -0.81 0.00 0.00 175.30 174.35 3lmu s VAL 8 N 0.62 0.56 -0.27 7.11 -7.23 0.02 -0.86 120.40 120.35 3lmu s VAL 8 Ca 0.56 -1.35 0.19 0.00 -1.81 0.00 0.00 61.98 59.57 3lmu s VAL 8 Cb -0.30 -0.94 0.14 0.00 0.56 0.00 0.00 36.38 35.84 3lmu s VAL 8 CO 0.31 -0.55 1.38 0.11 -0.31 0.00 0.00 175.10 176.05 3lmu h LYS 9 N 4.01 0.00 0.00 4.82 1.79 -0.95 -2.04 116.57 124.20 3lmu h LYS 9 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 3lmu h LYS 9 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3lmu h LYS 9 CO 0.48 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.49 3lmu n GLY 10 N 1.19 0.03 3.51 3.86 0.00 -1.20 -1.86 105.19 110.72 3lmu n GLY 10 Ca 0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.76 -0.19 4.61 0.00 -0.06 -1.31 121.76 121.05 3lmu s ALA 11 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3lmu s ALA 11 Cb 0.00 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.24 3lmu s ALA 11 CO 0.00 -0.42 -0.08 0.42 0.00 0.00 0.00 175.76 175.68 3lmu s ILE 12 N -1.52 1.47 -0.14 0.00 1.01 -0.35 -1.29 121.20 120.39 3lmu s ILE 12 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 3lmu s ILE 12 Cb -0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3lmu s ILE 12 CO 0.07 0.12 0.33 -0.22 0.00 0.00 0.00 174.94 175.23 3lmu s LEU 13 N 1.46 4.27 0.11 2.97 0.20 0.14 -1.62 118.68 126.21 3lmu s LEU 13 Ca -0.01 0.59 -0.04 0.00 0.69 0.00 0.00 54.13 55.36 3lmu s LEU 13 Cb -0.16 -2.44 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 3lmu s LEU 13 CO -0.08 0.10 0.11 -0.44 -0.29 0.00 0.00 176.35 175.75 3lmu s SER 14 N 0.37 0.26 0.32 3.68 0.01 -0.65 -1.37 113.70 116.32 3lmu s SER 14 Ca 0.19 -0.98 0.05 0.00 1.31 0.00 0.00 55.95 56.52 3lmu s SER 14 Cb -0.14 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 3lmu s SER 14 CO 0.06 -0.73 0.23 0.68 0.41 0.00 0.00 173.24 173.88 3lmu s VAL 15 N -3.96 0.10 -0.02 3.43 -7.23 -0.09 0.14 120.40 112.77 3lmu s VAL 15 Ca 0.15 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 3lmu s VAL 15 Cb 0.06 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 3lmu s VAL 15 CO -0.04 0.00 0.52 -0.13 -0.31 0.00 0.00 175.10 175.14 3lmu s ARG 16 N -3.61 4.21 0.64 4.82 0.52 -1.26 0.49 118.95 124.76 3lmu s ARG 16 Ca 0.38 0.59 0.22 0.00 -0.52 0.00 0.00 55.73 56.40 3lmu s ARG 16 Cb 0.03 -3.32 1.13 0.00 0.52 0.00 0.00 34.95 33.31 3lmu s ARG 16 CO 0.23 0.43 1.63 1.49 0.02 0.00 0.00 175.30 179.10 3lmu h GLU 26 N 5.53 0.00 -4.26 3.54 4.57 -2.09 -3.39 114.58 118.48 3lmu h GLU 26 Ca -0.46 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.36 3lmu h GLU 26 Cb 1.20 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.49 3lmu h GLU 26 CO 0.68 0.00 -0.76 -0.51 -1.18 0.00 0.00 179.01 177.24 3lmu s LEU 27 N -6.01 1.78 -0.27 1.64 1.43 -1.26 -5.14 118.68 110.85 3lmu s LEU 27 Ca -0.03 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3lmu s LEU 27 Cb 0.09 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.97 3lmu s LEU 27 CO 0.29 0.03 0.04 -0.70 0.23 0.00 0.00 176.35 176.24 3lmu s GLU 28 N 0.20 3.25 0.07 1.70 2.12 0.18 -4.92 118.70 121.30 3lmu s GLU 28 Ca -0.02 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 3lmu s GLU 28 Cb -0.06 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 3lmu s GLU 28 CO -0.00 -0.34 1.11 0.42 -0.54 0.00 0.00 175.26 175.91 3lmu s ILE 29 N 1.51 4.24 0.00 -3.70 1.01 -1.26 -0.91 121.20 122.08 3lmu s ILE 29 Ca 0.04 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.37 3lmu s ILE 29 Cb -0.16 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3lmu s ILE 29 CO 0.01 0.17 0.00 2.30 0.00 0.00 0.00 174.94 177.42 3lmu n ILE 30 N 3.51 0.00 -3.62 2.92 -5.35 -0.47 -4.97 119.36 111.37 3lmu n ILE 30 Ca 0.06 -0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.15 3lmu n ILE 30 Cb 0.48 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.72 -0.60 -0.10 7.28 0.15 -1.13 -5.00 113.70 113.57 3lmu s SER 31 Ca 0.00 0.95 -0.12 0.00 0.70 0.00 0.00 55.95 57.48 3lmu s SER 31 Cb 0.00 1.31 0.03 0.00 -1.71 0.00 0.00 66.02 65.65 3lmu s SER 31 CO 0.00 -0.15 0.32 -0.70 1.20 0.00 0.00 173.24 173.91 3lmu s GLU 32 N 1.53 0.42 0.06 5.44 2.12 -1.26 0.26 118.70 127.27 3lmu s GLU 32 Ca -0.09 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.61 3lmu s GLU 32 Cb -0.04 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 3lmu s GLU 32 CO -0.16 -0.07 -0.08 0.96 -0.54 0.00 0.00 175.26 175.38 3lmu s ILE 33 N -0.06 0.60 0.00 -3.70 -4.36 -0.41 -5.00 121.20 108.27 3lmu s ILE 33 Ca -0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 3lmu s ILE 33 Cb -0.03 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.72 3lmu s ILE 33 CO 0.01 -0.54 0.00 0.29 0.24 0.00 0.00 174.94 174.94 3lmu n LYS 34 N 0.97 1.13 -1.79 0.37 4.76 -1.26 -0.88 118.16 121.46 3lmu n LYS 34 Ca -0.19 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.87 3lmu n LYS 34 Cb 0.57 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.81 3lmu n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3lmu s ASN 35 N -1.00 4.98 0.00 4.39 -0.87 -0.78 -3.23 114.94 118.43 3lmu s ASN 35 Ca 0.00 2.67 0.00 0.00 -1.57 0.00 0.00 52.86 53.96 3lmu s ASN 35 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 3lmu s ASN 35 CO 0.00 -1.76 0.00 0.61 -2.57 0.00 0.00 177.10 173.38 3lmu n GLY 36 N 0.78 0.22 3.57 0.66 0.00 -0.77 -2.09 105.19 107.57 3lmu n GLY 36 Ca 0.13 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 3.01 -0.16 0.99 1.43 -0.50 -0.80 118.68 122.65 3lmu s LEU 37 Ca 0.00 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3lmu s LEU 37 Cb 0.00 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 3lmu s LEU 37 CO 0.00 0.16 -0.13 -0.51 0.23 0.00 0.00 176.35 176.10 3lmu s ILE 38 N -1.32 2.86 -0.27 -0.59 2.07 -0.12 -1.12 121.20 122.72 3lmu s ILE 38 Ca 0.22 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.75 3lmu s ILE 38 Cb -0.11 -2.23 0.03 0.00 0.13 0.00 0.00 42.46 40.29 3lmu s ILE 38 CO 0.14 0.50 -0.04 0.00 -1.91 0.00 0.00 174.94 173.63 3lmu s PHE 40 N 1.29 2.97 -0.25 0.00 0.08 -0.43 -1.24 117.98 120.41 3lmu s PHE 40 Ca -0.02 0.38 -0.09 0.00 0.12 0.00 0.00 56.93 57.32 3lmu s PHE 40 Cb -0.18 -3.81 -0.04 0.00 -0.57 0.00 0.00 43.02 38.42 3lmu s PHE 40 CO -0.03 -1.01 0.12 -1.17 -0.10 0.00 0.00 175.22 173.02 3lmu s LEU 41 N 3.55 3.76 -0.32 -0.37 2.96 0.04 -1.80 118.68 126.51 3lmu s LEU 41 Ca 0.35 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 3lmu s LEU 41 Cb -0.11 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3lmu s LEU 41 CO 0.24 0.01 0.10 -0.83 -1.32 0.00 0.00 176.35 174.55 3lmu s GLY 42 N 1.39 1.83 -0.29 7.98 0.00 0.25 0.36 107.32 118.84 3lmu s GLY 42 Ca 0.06 -1.60 -0.22 0.00 0.00 0.00 0.00 44.72 42.96 3lmu s GLY 42 CO 0.06 0.72 0.69 -0.42 0.00 0.00 0.00 173.10 174.15 3lmu s ILE 43 N 1.47 4.90 0.32 0.90 -1.09 -1.26 -0.98 121.20 125.45 3lmu s ILE 43 Ca 0.01 1.08 -0.18 0.00 -2.23 0.00 0.00 60.65 59.33 3lmu s ILE 43 Cb -0.18 -4.04 -0.09 0.00 -1.58 0.00 0.00 42.46 36.57 3lmu s ILE 43 CO 0.03 -0.12 0.79 -2.28 -1.23 0.00 0.00 174.94 172.13 3lmu s HIS 44 N 2.70 3.45 0.21 3.97 2.46 -1.26 -2.99 115.29 123.83 3lmu s HIS 44 Ca 0.28 1.38 -0.10 0.00 0.47 0.00 0.00 55.06 57.09 3lmu s HIS 44 Cb -0.15 -2.65 0.26 0.00 -0.13 0.00 0.00 32.58 29.91 3lmu s HIS 44 CO 0.11 0.12 1.77 1.57 -2.47 0.00 0.00 174.74 175.83 3lmu h LYS 45 N 2.52 0.49 -0.98 2.88 -0.00 -1.60 -1.29 116.57 118.59 3lmu h LYS 45 Ca -0.48 -0.03 -0.17 0.00 -0.00 0.00 0.00 60.65 59.97 3lmu h LYS 45 Cb 1.18 -0.11 -0.10 0.00 -0.00 0.00 0.00 32.23 33.20 3lmu h LYS 45 CO 0.64 0.33 0.21 0.09 -0.00 0.00 0.00 179.45 180.72 3lmu n ASN 46 N -4.91 3.21 -4.74 7.07 4.13 -1.26 -4.89 115.26 113.87 3lmu n ASN 46 Ca 0.08 -2.56 -0.41 0.00 1.68 0.00 0.00 54.58 53.38 3lmu n ASN 46 Cb 0.23 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 37.81 3lmu n ASN 46 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3lmu s ASP 47 N 0.11 7.41 0.36 6.41 1.11 -0.49 -5.02 116.67 126.57 3lmu s ASP 47 Ca 0.21 1.97 0.07 0.00 0.18 0.00 0.00 52.55 54.98 3lmu s ASP 47 Cb 0.17 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.55 3lmu s ASP 47 CO 0.04 -0.10 0.44 0.42 1.18 0.00 0.00 175.17 177.15 3lmu s THR 48 N -0.32 3.56 -0.30 -1.27 -4.23 -1.26 -5.00 115.64 106.80 3lmu s THR 48 Ca 0.47 -1.12 0.27 0.00 -1.18 0.00 0.00 61.69 60.13 3lmu s THR 48 Cb -0.27 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.65 3lmu s THR 48 CO 0.33 -0.11 1.80 -0.25 -0.54 0.00 0.00 174.62 175.85 3lmu h TRP 49 N 0.93 0.00 -0.20 3.99 2.91 -2.00 -1.80 115.95 119.79 3lmu h TRP 49 Ca -0.44 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.43 3lmu h TRP 49 Cb 1.26 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.90 3lmu h TRP 49 CO 0.45 0.00 -0.51 0.93 -1.03 0.00 0.00 178.44 178.29 3lmu h GLU 50 N 0.00 0.54 -0.07 2.65 4.39 -1.99 -1.46 114.58 118.64 3lmu h GLU 50 Ca 0.00 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.39 3lmu h GLU 50 Cb 0.43 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3lmu h GLU 50 CO 0.00 0.92 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.31 3lmu h ASP 51 N 0.42 -0.06 -0.41 1.42 3.32 -1.72 -1.89 116.42 117.50 3lmu h ASP 51 Ca 0.02 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3lmu h ASP 51 Cb 1.03 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 3lmu h ASP 51 CO 0.09 -0.02 0.13 0.00 -1.72 0.00 0.00 179.24 177.73 3lmu h ALA 52 N 1.07 0.48 -0.60 3.45 0.00 -1.35 -2.52 119.26 119.78 3lmu h ALA 52 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3lmu h ALA 52 Cb 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3lmu h ALA 52 CO -0.07 -0.26 0.29 -0.07 0.00 0.00 0.00 179.25 179.14 3lmu h LEU 53 N 0.29 0.38 0.00 0.00 3.38 -0.95 -1.18 115.31 117.23 3lmu h LEU 53 Ca 0.19 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3lmu h LEU 53 Cb 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3lmu h LEU 53 CO -0.21 0.24 -0.03 0.22 0.09 0.00 0.00 178.44 178.76 3lmu h TYR 54 N 0.53 -0.06 0.14 1.13 3.20 -0.92 0.18 116.97 121.17 3lmu h TYR 54 Ca 0.28 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.17 3lmu h TYR 54 Cb 0.26 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 3lmu h TYR 54 CO -0.12 -0.04 -0.52 0.82 -1.64 0.00 0.00 178.16 176.66 3lmu h ILE 55 N -0.05 0.01 -0.92 1.81 1.08 -1.22 -0.81 117.51 117.41 3lmu h ILE 55 Ca 0.01 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.67 3lmu h ILE 55 Cb 0.06 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 33.71 3lmu h ILE 55 CO -0.03 0.00 0.49 0.40 -0.69 0.00 0.00 178.15 178.33 3lmu h ILE 56 N -0.76 0.64 -0.85 -0.67 2.04 -0.73 0.49 117.51 117.66 3lmu h ILE 56 Ca -0.01 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3lmu h ILE 56 Cb 0.77 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3lmu h ILE 56 CO -0.28 0.11 0.45 -0.09 0.00 0.00 0.00 178.15 178.35 3lmu h ARG 57 N 0.60 1.19 0.06 2.37 2.43 -0.01 -2.55 114.38 118.48 3lmu h ARG 57 Ca 0.54 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3lmu h ARG 57 Cb 0.89 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3lmu h ARG 57 CO -0.42 0.89 -0.03 0.87 -1.51 0.00 0.00 179.97 179.76 3lmu h LYS 58 N 1.19 -0.08 -0.68 0.20 1.79 0.13 -1.16 116.57 117.95 3lmu h LYS 58 Ca 0.30 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.96 3lmu h LYS 58 Cb 0.05 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 3lmu h LYS 58 CO -0.05 0.50 0.48 0.00 -1.08 0.00 0.00 179.45 179.31 3lmu n LEU 60 N -4.37 0.71 0.00 0.00 4.77 -0.96 -4.55 117.00 112.60 3lmu n LEU 60 Ca 0.13 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3lmu n LEU 60 Cb 0.70 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3lmu n LEU 60 CO 0.37 -0.09 -0.40 0.59 -1.33 0.00 0.00 177.39 176.53 3lmu n ASN 61 N -2.33 4.01 -4.66 -1.43 3.02 -0.45 -4.22 115.26 109.20 3lmu n ASN 61 Ca 0.01 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.06 3lmu n ASN 61 Cb 0.49 0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 40.38 3lmu n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3lmu n LEU 62 N -1.24 2.65 -4.51 3.41 4.77 -0.16 -4.64 117.00 117.28 3lmu n LEU 62 Ca 0.00 1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 56.63 3lmu n LEU 62 Cb 0.03 -1.29 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 3lmu n LEU 62 CO 0.00 -0.47 1.13 -0.13 -1.33 0.00 0.00 177.39 176.60 3lmu s ARG 63 N 2.09 3.35 0.00 3.23 0.52 -1.26 -3.95 118.95 122.92 3lmu s ARG 63 Ca 0.88 -0.86 0.15 0.00 -0.52 0.00 0.00 55.73 55.38 3lmu s ARG 63 Cb -0.84 -4.63 0.20 0.00 0.52 0.00 0.00 34.95 30.20 3lmu s ARG 63 CO 0.49 -2.03 1.09 1.28 0.02 0.00 0.00 175.30 176.15 3lmu n LEU 64 N 8.42 2.55 -4.44 2.53 4.77 -1.00 -3.96 117.00 125.88 3lmu n LEU 64 Ca 0.13 -1.25 -0.30 0.00 -0.03 0.00 0.00 56.01 54.56 3lmu n LEU 64 Cb 0.49 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 3lmu n LEU 64 CO 0.65 0.52 -0.52 0.26 -1.33 0.00 0.00 177.39 176.97 3lmu s TRP 65 N -1.22 2.48 0.49 -1.77 0.51 -0.47 -4.74 118.94 114.21 3lmu s TRP 65 Ca 0.22 -0.30 -0.07 0.00 -2.12 0.00 0.00 56.10 53.82 3lmu s TRP 65 Cb 0.14 -1.39 -0.04 0.00 -0.81 0.00 0.00 33.47 31.37 3lmu s TRP 65 CO 0.20 0.28 0.83 -0.80 -0.51 0.00 0.00 176.95 176.95 3lmu s ASN 66 N -1.70 6.31 -0.83 2.95 0.01 -1.26 -1.12 114.94 119.30 3lmu s ASN 66 Ca 0.15 1.06 0.02 0.00 -0.71 0.00 0.00 52.86 53.38 3lmu s ASN 66 Cb -0.10 -2.31 0.28 0.00 0.41 0.00 0.00 41.25 39.53 3lmu s ASN 66 CO 0.06 -0.60 1.09 -3.20 -1.51 0.00 0.00 177.10 172.95 3lmu n ASN 67 N -2.16 5.01 0.00 -1.22 2.85 0.20 -4.80 115.26 115.14 3lmu n ASN 67 Ca 0.02 -3.46 0.00 0.00 -0.11 0.00 0.00 54.58 51.03 3lmu n ASN 67 Cb 0.55 -0.92 0.00 0.00 1.24 0.00 0.00 39.78 40.64 3lmu n ASN 67 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3lmu n ASP 68 N 0.95 0.00 0.00 1.20 -0.08 -1.26 -2.53 116.55 114.83 3lmu n ASP 68 Ca 0.29 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 3lmu n ASP 68 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3lmu n ASP 68 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3lmu n ASN 69 N 0.34 0.00 -4.56 1.67 0.23 -1.26 -4.96 115.26 106.72 3lmu n ASN 69 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.78 3lmu n ASN 69 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 3lmu n ASN 69 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3lmu s LYS 70 N 0.00 2.58 0.17 -3.83 -0.14 -1.05 -4.93 119.74 112.55 3lmu s LYS 70 Ca 0.00 -0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 53.98 3lmu s LYS 70 Cb 0.00 -5.08 -0.08 0.00 -1.68 0.00 0.00 37.83 30.99 3lmu s LYS 70 CO 0.00 -3.37 0.88 0.95 -0.76 0.00 0.00 175.35 173.05 3lmu s THR 71 N 9.98 4.31 -0.62 2.17 -4.23 -1.26 0.60 115.64 126.59 3lmu s THR 71 Ca 0.69 1.93 -0.00 0.00 -1.18 0.00 0.00 61.69 63.13 3lmu s THR 71 Cb -0.06 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.53 3lmu s THR 71 CO -0.00 0.46 0.52 0.79 -0.54 0.00 0.00 174.62 175.84 3lmu n TRP 72 N 1.91 -1.15 -0.06 3.99 7.02 -1.24 -4.95 117.44 122.97 3lmu n TRP 72 Ca -0.02 0.49 -0.12 0.00 -1.02 0.00 0.00 57.50 56.82 3lmu n TRP 72 Cb 0.48 -3.55 -0.04 0.00 -2.42 0.00 0.00 31.31 25.78 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 -2.00 1.10 -4.47 -0.99 2.03 -0.27 -4.81 116.55 107.14 3lmu n ASP 73 Ca -0.14 0.12 -0.34 0.00 0.52 0.00 0.00 54.79 54.95 3lmu n ASP 73 Cb 0.58 -0.32 -0.13 0.00 -0.72 0.00 0.00 41.12 40.54 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 -2.21 3.62 0.85 -0.67 3.01 -0.46 -4.84 119.74 119.04 3lmu s LYS 74 Ca -0.16 -0.55 -0.08 0.00 -1.01 0.00 0.00 55.97 54.17 3lmu s LYS 74 Cb 0.06 -2.87 0.17 0.00 -1.01 0.00 0.00 37.83 34.18 3lmu s LYS 74 CO 0.21 0.23 1.16 0.54 0.51 0.00 0.00 175.35 178.00 3lmu s ASN 75 N 0.37 3.67 0.11 2.83 2.20 -1.26 -1.36 114.94 121.50 3lmu s ASN 75 Ca -0.05 -0.11 -0.21 0.00 -0.94 0.00 0.00 52.86 51.54 3lmu s ASN 75 Cb -0.14 -0.07 -0.10 0.00 -2.00 0.00 0.00 41.25 38.94 3lmu s ASN 75 CO 0.03 -2.34 1.76 1.62 -2.94 0.00 0.00 177.10 175.23 3lmu h VAL 76 N -1.10 1.02 -0.72 3.54 3.04 -1.77 -2.32 116.25 117.94 3lmu h VAL 76 Ca -0.40 -0.05 0.04 0.00 -1.01 0.00 0.00 66.70 65.28 3lmu h VAL 76 Cb 1.25 0.86 -0.05 0.00 -2.01 0.00 0.00 31.29 31.34 3lmu h VAL 76 CO 0.37 0.03 0.45 0.11 -1.01 0.00 0.00 177.57 177.52 3lmu h LYS 77 N 0.14 0.84 -1.06 4.17 1.57 -1.86 -2.12 116.57 118.25 3lmu h LYS 77 Ca 0.04 -0.05 0.29 0.00 -1.87 0.00 0.00 60.65 59.06 3lmu h LYS 77 Cb -0.01 -0.19 -0.11 0.00 0.08 0.00 0.00 32.23 32.00 3lmu h LYS 77 CO -0.02 0.55 0.66 -0.44 -0.57 0.00 0.00 179.45 179.64 3lmu h ASP 78 N 0.86 0.49 -0.32 0.86 3.32 -1.76 0.26 116.42 120.13 3lmu h ASP 78 Ca 0.30 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3lmu h ASP 78 Cb 0.05 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3lmu h ASP 78 CO -0.12 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.61 3lmu n LEU 79 N -4.75 3.10 -3.70 1.55 4.77 -0.93 -4.96 117.00 112.09 3lmu n LEU 79 Ca 0.28 -1.30 -0.25 0.00 -0.03 0.00 0.00 56.01 54.71 3lmu n LEU 79 Cb 0.92 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.84 3lmu n LEU 79 CO 0.21 0.65 -0.09 0.59 -1.33 0.00 0.00 177.39 177.42 3lmu n ASN 80 N 1.27 -2.74 -4.96 -1.43 3.02 0.93 -4.99 115.26 106.36 3lmu n ASN 80 Ca 0.18 -0.91 -0.20 0.00 -0.03 0.00 0.00 54.58 53.63 3lmu n ASN 80 Cb 0.56 -3.77 0.01 0.00 -0.61 0.00 0.00 39.78 35.97 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 -3.64 2.23 0.26 3.10 2.02 -0.84 -5.03 117.35 115.44 3lmu s TYR 81 Ca 0.19 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 3lmu s TYR 81 Cb -0.06 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 3lmu s TYR 81 CO 0.83 -0.53 0.38 -1.21 -1.57 0.00 0.00 175.55 173.45 3lmu s GLU 82 N -4.36 3.38 0.05 -0.62 2.02 -0.89 -4.75 118.70 113.53 3lmu s GLU 82 Ca 0.52 -0.81 0.08 0.00 0.02 0.00 0.00 54.97 54.78 3lmu s GLU 82 Cb -0.06 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 3lmu s GLU 82 CO 0.31 0.36 -0.23 -0.51 0.02 0.00 0.00 175.26 175.21 3lmu s LEU 83 N -4.02 2.17 -0.21 1.80 1.02 -0.72 -1.41 118.68 117.31 3lmu s LEU 83 Ca 0.36 -0.55 -0.00 0.00 0.02 0.00 0.00 54.13 53.95 3lmu s LEU 83 Cb -0.09 -1.11 0.02 0.00 0.02 0.00 0.00 46.19 45.03 3lmu s LEU 83 CO 0.29 0.20 -0.13 -0.22 0.02 0.00 0.00 176.35 176.52 3lmu s LEU 84 N -1.22 2.69 -0.20 1.79 2.96 -0.27 -1.40 118.68 123.04 3lmu s LEU 84 Ca 0.09 -0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 3lmu s LEU 84 Cb -0.09 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3lmu s LEU 84 CO 0.02 -0.06 0.09 -0.63 -1.32 0.00 0.00 176.35 174.45 3lmu s ILE 85 N 1.30 4.97 -0.09 6.68 -1.09 0.16 -0.42 121.20 132.71 3lmu s ILE 85 Ca 0.02 0.04 -0.00 0.00 -2.23 0.00 0.00 60.65 58.47 3lmu s ILE 85 Cb -0.15 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3lmu s ILE 85 CO -0.08 0.43 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.30 3lmu s VAL 86 N 0.58 0.85 0.23 2.92 1.01 -0.38 -3.32 120.40 122.29 3lmu s VAL 86 Ca 0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 3lmu s VAL 86 Cb -0.12 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 3lmu s VAL 86 CO 0.01 0.33 1.52 -0.55 0.00 0.00 0.00 175.10 176.41 3lmu s SER 87 N 1.62 6.57 -0.30 3.32 0.15 -1.26 -0.78 113.70 123.02 3lmu s SER 87 Ca 0.02 2.71 -0.00 0.00 0.70 0.00 0.00 55.95 59.38 3lmu s SER 87 Cb -0.13 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.70 3lmu s SER 87 CO -0.06 -0.79 0.29 -1.58 1.20 0.00 0.00 173.24 172.31 3lmu s GLN 88 N 0.13 0.36 0.27 5.44 2.00 0.16 -4.80 119.66 123.21 3lmu s GLN 88 Ca 0.64 -0.28 0.26 0.00 -2.00 0.00 0.00 55.36 53.97 3lmu s GLN 88 Cb -0.44 -0.71 0.76 0.00 0.80 0.00 0.00 33.01 33.42 3lmu s GLN 88 CO 0.40 -1.05 1.75 0.27 -0.50 0.00 0.00 175.29 176.15 3lmu h PHE 89 N 8.10 0.00 0.00 1.67 -5.15 -1.94 -3.20 116.94 116.42 3lmu h PHE 89 Ca -0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.66 3lmu h PHE 89 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.24 3lmu h PHE 89 CO 0.29 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.85 3lmu n THR 90 N -2.44 1.30 0.26 0.88 -2.24 -1.26 -1.28 114.28 109.49 3lmu n THR 90 Ca 0.05 0.45 0.11 0.00 -2.27 0.00 0.00 64.05 62.38 3lmu n THR 90 Cb 0.43 -1.38 0.70 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.80 3.22 3.38 -1.94 -1.29 115.31 114.88 3lmu h LEU 91 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3lmu h LEU 91 Cb 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.62 3lmu h LEU 91 CO 0.00 0.10 0.66 0.49 0.09 0.00 0.00 178.44 179.78 3lmu n PHE 92 N -3.95 2.74 -2.73 1.13 3.72 -0.41 -4.93 117.46 113.04 3lmu n PHE 92 Ca -0.02 -2.16 -0.42 0.00 -0.05 0.00 0.00 57.45 54.79 3lmu n PHE 92 Cb 0.19 -1.07 -0.03 0.00 -0.94 0.00 0.00 39.48 37.63 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 -1.15 1.97 -0.31 1.37 0.00 -0.49 -4.31 107.32 104.41 3lmu s GLY 93 Ca 0.53 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 45.15 3lmu s GLY 93 CO 0.05 1.99 1.14 0.21 0.00 0.00 0.00 173.10 176.49 3lmu s ASN 94 N 1.17 6.86 -0.16 1.64 3.84 0.10 -4.79 114.94 123.61 3lmu s ASN 94 Ca 0.44 1.10 0.18 0.00 0.21 0.00 0.00 52.86 54.78 3lmu s ASN 94 Cb -0.16 -2.54 0.40 0.00 -0.55 0.00 0.00 41.25 38.39 3lmu s ASN 94 CO 0.11 -0.93 1.27 0.35 -2.79 0.00 0.00 177.10 175.11 3lmu n THR 95 N 5.96 2.08 -3.19 -5.21 -2.24 -1.26 -2.15 114.28 108.27 3lmu n THR 95 Ca 0.13 -2.14 -0.33 0.00 -2.27 0.00 0.00 64.05 59.44 3lmu n THR 95 Cb 0.47 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 3lmu n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3lmu n LYS 96 N -1.04 3.39 -0.57 -0.78 5.02 -1.26 -4.92 118.16 118.00 3lmu n LYS 96 Ca 0.19 -4.67 0.04 0.00 -2.02 0.00 0.00 58.31 51.85 3lmu n LYS 96 Cb 0.76 -2.34 0.25 0.00 -0.02 0.00 0.00 35.03 33.67 3lmu n LYS 96 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3lmu n ASN 99 N 0.77 3.61 -3.87 4.39 5.03 -1.26 -5.13 115.26 118.80 3lmu n ASN 99 Ca 0.30 -3.21 -0.18 0.00 0.87 0.00 0.00 54.58 52.36 3lmu n ASN 99 Cb 0.37 -0.58 -0.16 0.00 -1.02 0.00 0.00 39.78 38.39 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3lmu s LYS 100 N -2.95 0.54 0.97 3.52 -0.14 -1.26 -5.16 119.74 115.27 3lmu s LYS 100 Ca 0.44 -0.04 -0.13 0.00 -1.36 0.00 0.00 55.97 54.87 3lmu s LYS 100 Cb 0.36 -0.62 0.05 0.00 -1.68 0.00 0.00 37.83 35.95 3lmu s LYS 100 CO 0.07 -0.07 0.41 -2.30 -0.76 0.00 0.00 175.35 172.69 3lmu n PRO 101 N 3.91 -0.48 -3.28 -1.68 -0.02 -1.26 -4.86 135.00 127.34 3lmu n PRO 101 Ca -0.24 -0.10 -0.07 0.00 -2.02 0.00 0.00 63.50 61.07 3lmu n PRO 101 Cb 0.52 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.08 3lmu n PRO 101 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3lmu s ASP 102 N -2.03 0.00 -0.59 2.55 2.15 -0.91 -4.87 116.67 112.96 3lmu s ASP 102 Ca 0.57 -0.16 -0.02 0.00 0.43 0.00 0.00 52.55 53.37 3lmu s ASP 102 Cb -0.20 1.29 0.34 0.00 -0.30 0.00 0.00 42.92 44.05 3lmu s ASP 102 CO 0.67 -0.34 2.10 0.49 -0.17 0.00 0.00 175.17 177.92 3lmu n PHE 103 N 5.37 2.64 -0.25 -5.34 3.72 -1.26 0.01 117.46 122.34 3lmu n PHE 103 Ca 0.01 -2.57 0.05 0.00 -0.05 0.00 0.00 57.45 54.89 3lmu n PHE 103 Cb 0.50 -1.29 0.18 0.00 -0.94 0.00 0.00 39.48 37.94 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 2.11 0.46 -0.00 1.38 3.86 -1.97 -3.02 115.15 117.97 3lmu h HIS 104 Ca 0.51 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 3lmu h HIS 104 Cb 0.71 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3lmu h HIS 104 CO 1.25 0.03 -0.07 1.47 0.86 0.00 0.00 177.93 181.46 3lmu n LEU 105 N -5.04 0.13 -4.63 2.43 -0.00 -1.26 -4.88 117.00 103.76 3lmu n LEU 105 Ca 0.14 0.30 -0.32 0.00 -0.00 0.00 0.00 56.01 56.13 3lmu n LEU 105 Cb 0.42 -0.36 0.14 0.00 -0.00 0.00 0.00 43.42 43.62 3lmu n LEU 105 CO 0.17 0.03 0.55 0.00 -0.00 0.00 0.00 177.39 178.14 3lmu n ALA 106 N -1.35 -0.91 -2.61 1.47 0.00 -1.14 -2.21 120.51 113.76 3lmu n ALA 106 Ca 0.10 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 3lmu n ALA 106 Cb 0.30 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 3lmu n ALA 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3lmu s LYS 107 N -4.23 4.16 0.04 0.00 2.20 -1.16 -4.14 119.74 116.60 3lmu s LYS 107 Ca 0.67 0.41 -0.38 0.00 -0.36 0.00 0.00 55.97 56.31 3lmu s LYS 107 Cb -0.25 -3.34 -0.19 0.00 -1.51 0.00 0.00 37.83 32.54 3lmu s LYS 107 CO 0.57 0.41 1.12 -0.85 -0.36 0.00 0.00 175.35 176.24 3lmu n GLU 108 N 2.81 0.34 -0.19 4.03 0.28 -1.26 -4.35 120.64 122.30 3lmu n GLU 108 Ca -0.10 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 56.89 3lmu n GLU 108 Cb 0.52 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.65 3lmu n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3lmu h PRO 109 N 3.35 -0.31 -0.70 3.44 0.11 -1.97 0.80 132.00 136.73 3lmu h PRO 109 Ca -0.49 0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.77 3lmu h PRO 109 Cb 1.40 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.54 3lmu h PRO 109 CO 0.68 -0.21 0.47 -0.91 -0.21 0.00 0.00 178.00 177.82 3lmu h ASN 110 N -0.32 0.38 0.01 -2.05 -0.26 -2.00 0.31 115.58 111.64 3lmu h ASN 110 Ca 0.09 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 3lmu h ASN 110 Cb 0.55 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3lmu h ASN 110 CO -0.65 0.21 -0.06 -0.33 -1.06 0.00 0.00 177.43 175.54 3lmu h GLU 111 N 0.41 0.03 -0.65 0.81 5.08 -1.52 -3.32 114.58 115.42 3lmu h GLU 111 Ca 0.34 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.79 3lmu h GLU 111 Cb 0.74 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 3lmu h GLU 111 CO -0.10 0.94 -0.07 0.00 -1.00 0.00 0.00 179.01 178.78 3lmu h ALA 112 N 0.09 0.55 -0.88 3.43 0.00 0.18 -1.62 119.26 121.00 3lmu h ALA 112 Ca -0.01 0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.24 3lmu h ALA 112 Cb 0.97 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 3lmu h ALA 112 CO 0.01 -0.42 0.50 1.25 0.00 0.00 0.00 179.25 180.60 3lmu h LEU 113 N 0.06 0.69 -0.02 0.00 5.85 -0.56 0.26 115.31 121.59 3lmu h LEU 113 Ca 0.33 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 3lmu h LEU 113 Cb 0.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3lmu h LEU 113 CO -0.61 0.36 -0.04 0.40 -0.34 0.00 0.00 178.44 178.21 3lmu h ILE 114 N 0.79 1.45 -0.58 4.05 2.04 -1.42 -0.71 117.51 123.13 3lmu h ILE 114 Ca 0.44 -1.37 0.12 0.00 1.00 0.00 0.00 64.86 65.05 3lmu h ILE 114 Cb 0.49 2.32 -0.10 0.00 -0.74 0.00 0.00 36.82 38.79 3lmu h ILE 114 CO -0.29 0.36 -0.07 0.15 0.00 0.00 0.00 178.15 178.31 3lmu h PHE 115 N -0.49 -0.17 0.35 1.37 3.04 -1.09 0.66 116.94 120.61 3lmu h PHE 115 Ca 0.00 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 3lmu h PHE 115 Cb 0.61 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 3lmu h PHE 115 CO 0.12 -0.20 -0.32 -0.92 -2.02 0.00 0.00 178.31 174.97 3lmu h TYR 116 N 0.06 -0.86 -0.86 0.41 3.20 -0.35 0.00 116.97 118.58 3lmu h TYR 116 Ca 0.29 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.31 3lmu h TYR 116 Cb 0.46 0.33 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 3lmu h TYR 116 CO -0.41 -0.46 0.56 -0.91 -1.64 0.00 0.00 178.16 175.29 3lmu h ASN 117 N -0.69 0.60 -0.26 -2.11 2.35 -0.57 -0.77 115.58 114.13 3lmu h ASN 117 Ca -0.02 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3lmu h ASN 117 Cb 0.61 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3lmu h ASN 117 CO -0.04 0.31 0.11 0.11 -1.65 0.00 0.00 177.43 176.27 3lmu h LYS 118 N 0.63 0.38 -0.13 0.81 6.56 -0.07 -1.38 116.57 123.37 3lmu h LYS 118 Ca 0.43 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 59.99 3lmu h LYS 118 Cb 0.73 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.28 3lmu h LYS 118 CO -0.18 0.40 -0.14 0.82 -2.06 0.00 0.00 179.45 178.29 3lmu h ILE 119 N 0.28 0.63 -0.96 1.86 2.04 0.27 -1.88 117.51 119.75 3lmu h ILE 119 Ca 0.09 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 3lmu h ILE 119 Cb 0.15 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 3lmu h ILE 119 CO -0.01 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.15 3lmu h ILE 120 N -0.17 0.93 0.03 -0.67 1.08 -0.96 -0.13 117.51 117.62 3lmu h ILE 120 Ca 0.09 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3lmu h ILE 120 Cb 0.30 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 3lmu h ILE 120 CO -0.23 0.17 -0.02 0.44 -0.69 0.00 0.00 178.15 177.83 3lmu h ASP 121 N 0.92 -0.04 -0.43 1.72 3.32 -0.84 -2.46 116.42 118.62 3lmu h ASP 121 Ca 0.46 -0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.49 3lmu h ASP 121 Cb 0.49 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 3lmu h ASP 121 CO -0.23 0.08 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.23 3lmu h GLU 122 N -0.15 0.04 -0.67 3.56 4.57 -0.45 -0.49 114.58 120.98 3lmu h GLU 122 Ca -0.00 -0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.30 3lmu h GLU 122 Cb 0.14 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.59 3lmu h GLU 122 CO 0.01 0.03 -0.22 0.74 -1.18 0.00 0.00 179.01 178.39 3lmu h PHE 123 N 0.04 -0.52 -0.55 0.92 0.04 -0.84 0.20 116.94 116.23 3lmu h PHE 123 Ca 0.21 0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.93 3lmu h PHE 123 Cb 0.32 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 3lmu h PHE 123 CO -0.34 -0.32 -0.09 0.87 -0.60 0.00 0.00 178.31 177.82 3lmu h LYS 124 N -0.04 1.02 0.64 1.51 1.57 -0.78 0.17 116.57 120.65 3lmu h LYS 124 Ca 0.31 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3lmu h LYS 124 Cb 0.52 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3lmu h LYS 124 CO -0.71 1.05 -0.48 0.87 -0.57 0.00 0.00 179.45 179.61 3lmu h LYS 125 N 0.91 -1.04 -0.85 3.15 1.79 0.24 -2.40 116.57 118.38 3lmu h LYS 125 Ca 0.14 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.73 3lmu h LYS 125 Cb 0.66 0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 31.49 3lmu h LYS 125 CO 0.05 -0.69 0.56 1.96 -1.08 0.00 0.00 179.45 180.24 3lmu h GLN 126 N -1.08 0.98 0.00 3.15 4.20 -0.56 -3.42 115.11 118.38 3lmu h GLN 126 Ca -0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3lmu h GLN 126 Cb 0.89 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3lmu h GLN 126 CO 0.03 0.65 0.00 0.98 -0.67 0.00 0.00 178.83 179.82 3lmu n TYR 127 N -4.46 0.00 -3.77 2.96 9.36 0.58 -5.09 117.16 116.73 3lmu n TYR 127 Ca 0.12 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.21 3lmu n TYR 127 Cb 0.15 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.73 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 -0.22 -0.22 0.48 2.98 2.47 -0.92 -4.92 114.94 114.59 3lmu s ASN 128 Ca 0.00 0.43 0.27 0.00 0.42 0.00 0.00 52.86 53.99 3lmu s ASN 128 Cb 0.00 0.39 1.34 0.00 -1.45 0.00 0.00 41.25 41.53 3lmu s ASN 128 CO 0.00 -0.11 1.82 -0.78 -3.72 0.00 0.00 177.10 174.31 3lmu h ASP 129 N 6.41 0.19 0.38 -4.21 -0.00 -1.92 -0.75 116.42 116.52 3lmu h ASP 129 Ca -0.32 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 3lmu h ASP 129 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 3lmu h ASP 129 CO 0.38 0.04 -0.37 -0.67 -0.00 0.00 0.00 179.24 178.62 3lmu n ASP 130 N -4.39 0.74 -0.01 2.28 -0.08 -1.26 -4.00 116.55 109.84 3lmu n ASP 130 Ca 0.23 -0.55 0.10 0.00 -1.51 0.00 0.00 54.79 53.06 3lmu n ASP 130 Cb 1.01 0.19 -0.14 0.00 2.34 0.00 0.00 41.12 44.51 3lmu n ASP 130 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3lmu n LYS 131 N -1.09 0.56 -3.48 -0.67 4.76 -0.29 -4.89 118.16 113.06 3lmu n LYS 131 Ca 0.09 -0.12 -0.37 0.00 -2.87 0.00 0.00 58.31 55.04 3lmu n LYS 131 Cb 0.34 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 32.00 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 -3.21 5.28 0.17 -0.18 -1.09 -1.21 -1.75 121.20 119.19 3lmu s ILE 132 Ca -0.02 0.65 0.09 0.00 -2.23 0.00 0.00 60.65 59.14 3lmu s ILE 132 Cb 0.14 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3lmu s ILE 132 CO 0.84 0.37 -0.19 -0.54 -1.23 0.00 0.00 174.94 174.19 3lmu s LYS 133 N 0.51 1.30 0.29 2.79 -0.14 -0.49 -5.00 119.74 119.00 3lmu s LYS 133 Ca 0.19 -1.41 0.05 0.00 -1.36 0.00 0.00 55.97 53.44 3lmu s LYS 133 Cb -0.13 -1.39 -0.02 0.00 -1.68 0.00 0.00 37.83 34.60 3lmu s LYS 133 CO 0.05 0.29 0.20 0.44 -0.76 0.00 0.00 175.35 175.57 3lmu n ILE 134 N 0.33 0.00 -3.09 2.17 -5.35 -1.26 -0.66 119.36 111.49 3lmu n ILE 134 Ca -0.13 -1.98 0.00 0.00 -0.27 0.00 0.00 62.75 60.37 3lmu n ILE 134 Cb 0.57 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 3lmu n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lmu n GLY 135 N -0.44 2.59 3.36 3.28 0.00 -1.21 -4.72 105.19 108.05 3lmu n GLY 135 Ca 0.03 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.33 2.94 0.15 1.61 2.20 -1.26 -5.04 119.74 119.00 3lmu s LYS 136 Ca 0.00 -1.42 -0.33 0.00 -0.36 0.00 0.00 55.97 53.86 3lmu s LYS 136 Cb 0.00 -4.12 -0.17 0.00 -1.51 0.00 0.00 37.83 32.03 3lmu s LYS 136 CO 0.00 -1.07 1.05 0.34 -0.36 0.00 0.00 175.35 175.31 3lmu n PHE 137 N 5.18 0.92 -0.40 4.03 7.35 -1.26 -1.70 117.46 131.58 3lmu n PHE 137 Ca -0.12 0.79 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3lmu n PHE 137 Cb 0.43 -2.20 0.00 0.00 0.35 0.00 0.00 39.48 38.06 3lmu n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3lmu n GLY 138 N 1.91 0.68 3.90 7.13 0.00 -1.26 -4.96 105.19 112.59 3lmu n GLY 138 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.53 6.46 -0.03 1.61 -0.87 -0.69 -5.04 114.94 113.85 3lmu s ASN 139 Ca 0.00 0.83 -0.30 0.00 -1.57 0.00 0.00 52.86 51.82 3lmu s ASN 139 Cb 0.00 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 3lmu s ASN 139 CO 0.00 -0.26 1.33 -0.47 -2.57 0.00 0.00 177.10 175.13 3lmu s TYR 140 N -2.18 2.94 0.31 2.20 5.04 -1.26 -4.91 117.35 119.48 3lmu s TYR 140 Ca 0.46 0.95 0.10 0.00 -2.44 0.00 0.00 57.07 56.14 3lmu s TYR 140 Cb -0.11 -3.58 -0.05 0.00 0.35 0.00 0.00 41.96 38.58 3lmu s TYR 140 CO 0.31 -2.04 -0.03 -1.64 -1.34 0.00 0.00 175.55 170.80 3lmu s MET 141 N 2.47 2.06 -0.21 4.97 -1.94 -1.26 -4.26 119.30 121.13 3lmu s MET 141 Ca 0.61 -1.67 -0.02 0.00 -1.71 0.00 0.00 55.69 52.89 3lmu s MET 141 Cb -0.28 -1.96 0.06 0.00 2.01 0.00 0.00 34.83 34.66 3lmu s MET 141 CO 0.24 0.23 0.03 1.21 -0.01 0.00 0.00 175.02 176.72 3lmu s ASN 142 N -3.67 3.11 -0.19 3.03 2.47 0.12 -4.97 114.94 114.84 3lmu s ASN 142 Ca 0.33 -0.93 -0.02 0.00 0.42 0.00 0.00 52.86 52.66 3lmu s ASN 142 Cb -0.03 -0.67 -0.01 0.00 -1.45 0.00 0.00 41.25 39.09 3lmu s ASN 142 CO 0.19 -0.31 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.54 3lmu s ILE 143 N 1.80 3.15 -0.53 -5.21 1.01 -1.26 -1.63 121.20 118.52 3lmu s ILE 143 Ca -0.01 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 3lmu s ILE 143 Cb -0.17 -2.39 0.11 0.00 0.01 0.00 0.00 42.46 40.02 3lmu s ILE 143 CO -0.10 0.46 0.50 -1.81 0.00 0.00 0.00 174.94 174.00 3lmu s ASP 144 N 1.16 6.18 -0.12 3.58 1.01 -0.64 -4.92 116.67 122.92 3lmu s ASP 144 Ca 0.02 -1.64 -0.05 0.00 0.71 0.00 0.00 52.55 51.58 3lmu s ASP 144 Cb -0.14 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3lmu s ASP 144 CO -0.02 -0.85 0.08 -0.69 0.21 0.00 0.00 175.17 173.90 3lmu s VAL 145 N 1.75 5.02 -0.51 -1.27 1.01 -1.26 -1.21 120.40 123.92 3lmu s VAL 145 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 3lmu s VAL 145 Cb -0.28 -3.17 0.13 0.00 0.00 0.00 0.00 36.38 33.06 3lmu s VAL 145 CO 0.04 0.59 0.32 -0.89 0.00 0.00 0.00 175.10 175.16 3lmu s THR 146 N -0.80 3.48 0.14 3.92 2.01 -0.43 -5.00 115.64 118.97 3lmu s THR 146 Ca 0.13 -2.50 -0.31 0.00 0.31 0.00 0.00 61.69 59.32 3lmu s THR 146 Cb -0.12 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 3lmu s THR 146 CO 0.03 -0.78 1.34 0.20 -0.69 0.00 0.00 174.62 174.72 3lmu s ASN 147 N 1.27 6.88 -0.85 3.53 0.01 -1.26 -0.35 114.94 124.16 3lmu s ASN 147 Ca 0.12 2.32 -0.05 0.00 -0.71 0.00 0.00 52.86 54.54 3lmu s ASN 147 Cb -0.22 -2.59 0.21 0.00 0.41 0.00 0.00 41.25 39.06 3lmu s ASN 147 CO -0.04 -0.59 0.74 -0.62 -1.51 0.00 0.00 177.10 175.09 3lmu s ASP 148 N 0.83 6.10 0.00 -1.22 2.15 -0.04 -4.73 116.67 119.77 3lmu s ASP 148 Ca 0.61 -3.35 0.00 0.00 0.43 0.00 0.00 52.55 50.24 3lmu s ASP 148 Cb -0.36 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 3lmu s ASP 148 CO 0.33 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 3lmu n GLY 149 N 2.89 -0.46 3.87 2.66 0.00 -1.26 -4.02 105.19 108.87 3lmu n GLY 149 Ca 0.17 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 3lmu n GLY 149 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lmu s PRO 150 N 0.00 2.44 -0.19 1.61 0.02 -1.26 -5.16 135.00 132.45 3lmu s PRO 150 Ca 0.00 0.40 -0.01 0.00 0.02 0.00 0.00 61.00 61.41 3lmu s PRO 150 Cb 0.00 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.59 3lmu s PRO 150 CO 0.00 -1.32 -0.02 0.08 -0.33 0.00 0.00 177.00 175.40 3lmu s VAL 151 N -3.38 1.04 -0.16 3.83 1.01 -1.26 -5.04 120.40 116.45 3lmu s VAL 151 Ca 0.60 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3lmu s VAL 151 Cb -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3lmu s VAL 151 CO 0.52 -0.04 -0.18 -0.89 0.00 0.00 0.00 175.10 174.51 3lmu s THR 152 N 1.64 2.34 -0.07 3.92 2.01 -1.26 -2.12 115.64 122.10 3lmu s THR 152 Ca -0.02 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.16 3lmu s THR 152 Cb -0.17 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3lmu s THR 152 CO -0.07 0.53 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.52 3lmu s ILE 153 N 0.93 2.12 -0.05 1.82 -1.09 -0.10 -4.95 121.20 119.90 3lmu s ILE 153 Ca -0.04 -1.03 0.06 0.00 -2.23 0.00 0.00 60.65 57.41 3lmu s ILE 153 Cb -0.15 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.93 3lmu s ILE 153 CO -0.03 0.57 -0.21 -0.47 -1.23 0.00 0.00 174.94 173.56 3lmu s TYR 154 N 0.01 2.50 0.00 3.97 5.04 -1.26 0.21 117.35 127.83 3lmu s TYR 154 Ca -0.09 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 3lmu s TYR 154 Cb -0.15 -1.59 -0.00 0.00 0.35 0.00 0.00 41.96 40.57 3lmu s TYR 154 CO 0.05 -0.03 -0.02 0.42 -1.34 0.00 0.00 175.55 174.64 3lmu s ILE 155 N -0.46 0.12 -0.20 3.14 1.01 -0.48 -5.00 121.20 119.32 3lmu s ILE 155 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3lmu s ILE 155 Cb -0.12 -0.13 0.06 0.00 0.01 0.00 0.00 42.46 42.29 3lmu s ILE 155 CO 0.01 -0.03 0.01 -0.62 0.00 0.00 0.00 174.94 174.30 3lmu s ASP 156 N -0.21 3.18 0.49 3.58 2.15 -1.26 -1.20 116.67 123.40 3lmu s ASP 156 Ca -0.01 -0.92 0.29 0.00 0.43 0.00 0.00 52.55 52.34 3lmu s ASP 156 Cb -0.02 -0.78 1.57 0.00 -0.30 0.00 0.00 42.92 43.39 3lmu s ASP 156 CO -0.00 -0.28 1.87 0.71 -0.17 0.00 0.00 175.17 177.30 3lmu h THR 157 N 6.56 0.00 0.00 1.71 1.35 -1.35 -0.03 112.91 121.15 3lmu h THR 157 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3lmu h THR 157 Cb 1.10 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3lmu h THR 157 CO 0.36 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.04 3lmu n HIS 158 N -2.59 0.00 0.07 4.73 8.25 -1.26 -4.87 115.22 119.56 3lmu n HIS 158 Ca -0.02 -0.10 0.01 0.00 -0.26 0.00 0.00 57.72 57.35 3lmu n HIS 158 Cb 0.15 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.15 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73