#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 0.88 -0.01 2.12 0.52 -0.08 -0.62 118.95 121.75 3lmu s ARG 2 Ca 0.00 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 3lmu s ARG 2 Cb 0.00 -0.83 -0.00 0.00 0.52 0.00 0.00 34.95 34.63 3lmu s ARG 2 CO 0.00 0.04 -0.09 0.54 0.02 0.00 0.00 175.30 175.81 3lmu s VAL 3 N 0.44 0.70 -0.21 3.52 0.11 -0.42 0.20 120.40 124.75 3lmu s VAL 3 Ca -0.06 -0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3lmu s VAL 3 Cb -0.10 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3lmu s VAL 3 CO 0.00 0.20 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.26 3lmu s VAL 4 N -0.12 3.56 -0.15 2.04 1.01 -0.84 -1.41 120.40 124.49 3lmu s VAL 4 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3lmu s VAL 4 Cb -0.04 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3lmu s VAL 4 CO -0.00 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 174.84 3lmu s ILE 5 N 1.21 3.61 -0.14 2.22 1.01 0.98 -1.28 121.20 128.81 3lmu s ILE 5 Ca 0.03 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3lmu s ILE 5 Cb -0.14 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.77 3lmu s ILE 5 CO -0.00 0.50 -0.19 -1.10 0.00 0.00 0.00 174.94 174.14 3lmu s GLN 6 N 0.43 2.74 0.08 2.79 -1.52 -0.40 -0.91 119.66 122.88 3lmu s GLN 6 Ca -0.06 -0.75 -0.30 0.00 -1.95 0.00 0.00 55.36 52.30 3lmu s GLN 6 Cb -0.15 -2.29 -0.06 0.00 -0.22 0.00 0.00 33.01 30.29 3lmu s GLN 6 CO 0.03 -0.09 1.12 0.50 -0.25 0.00 0.00 175.29 176.61 3lmu s ARG 7 N 1.02 4.51 0.06 2.91 3.52 -0.91 -0.89 118.95 129.17 3lmu s ARG 7 Ca -0.03 1.67 0.02 0.00 -0.13 0.00 0.00 55.73 57.26 3lmu s ARG 7 Cb -0.15 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3lmu s ARG 7 CO -0.05 -0.11 -0.07 0.14 -0.81 0.00 0.00 175.30 174.40 3lmu s VAL 8 N 0.68 0.56 -0.20 7.11 -7.23 -0.17 -0.61 120.40 120.53 3lmu s VAL 8 Ca 0.54 -1.37 0.17 0.00 -1.81 0.00 0.00 61.98 59.51 3lmu s VAL 8 Cb -0.27 -0.97 0.06 0.00 0.56 0.00 0.00 36.38 35.76 3lmu s VAL 8 CO 0.30 -0.57 1.31 0.11 -0.31 0.00 0.00 175.10 175.95 3lmu h LYS 9 N 3.96 0.00 -1.07 4.82 1.79 -1.04 -2.04 116.57 122.99 3lmu h LYS 9 Ca -0.35 0.00 0.36 0.00 -2.18 0.00 0.00 60.65 58.48 3lmu h LYS 9 Cb 1.19 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.67 3lmu h LYS 9 CO 0.49 0.34 0.97 0.20 -1.08 0.00 0.00 179.45 180.37 3lmu s GLY 10 N -4.48 -0.38 -0.18 3.86 0.00 -1.21 -1.55 107.32 103.39 3lmu s GLY 10 Ca 0.03 1.31 -0.14 0.00 0.00 0.00 0.00 44.72 45.91 3lmu s GLY 10 CO 0.75 0.35 0.46 0.00 0.00 0.00 0.00 173.10 174.66 3lmu s ALA 11 N -2.06 -1.16 -0.19 3.20 0.00 0.48 -1.22 121.76 120.82 3lmu s ALA 11 Ca 0.14 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.52 3lmu s ALA 11 Cb 0.04 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.35 3lmu s ALA 11 CO -0.05 -0.24 -0.17 0.42 0.00 0.00 0.00 175.76 175.72 3lmu s ILE 12 N 0.61 1.97 -0.14 0.00 1.01 -0.71 -0.47 121.20 123.48 3lmu s ILE 12 Ca -0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 3lmu s ILE 12 Cb -0.05 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3lmu s ILE 12 CO -0.04 0.43 0.03 -0.22 0.00 0.00 0.00 174.94 175.15 3lmu s LEU 13 N 1.30 3.68 0.30 2.97 0.20 0.89 -1.60 118.68 126.43 3lmu s LEU 13 Ca 0.03 0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.98 3lmu s LEU 13 Cb -0.14 -1.89 -0.06 0.00 -0.43 0.00 0.00 46.19 43.67 3lmu s LEU 13 CO -0.11 0.27 0.07 -0.44 -0.29 0.00 0.00 176.35 175.85 3lmu s SER 14 N -0.22 1.95 0.00 3.68 0.01 0.81 -1.61 113.70 118.32 3lmu s SER 14 Ca 0.06 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.94 3lmu s SER 14 Cb -0.12 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.13 3lmu s SER 14 CO 0.02 -0.66 0.00 1.33 0.41 0.00 0.00 173.24 174.34 3lmu n VAL 15 N -0.61 0.00 -4.00 3.43 0.24 -1.26 0.27 118.33 116.40 3lmu n VAL 15 Ca -0.01 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.34 61.83 3lmu n VAL 15 Cb 0.66 0.59 -0.15 0.00 -1.47 0.00 0.00 33.84 33.48 3lmu n VAL 15 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3lmu s LEU 27 N -1.38 3.31 -0.35 1.34 0.20 -1.26 -4.95 118.68 115.59 3lmu s LEU 27 Ca 0.00 -1.10 -0.03 0.00 0.69 0.00 0.00 54.13 53.69 3lmu s LEU 27 Cb 0.00 -1.62 0.07 0.00 -0.43 0.00 0.00 46.19 44.21 3lmu s LEU 27 CO 0.00 -0.16 0.10 -0.70 -0.29 0.00 0.00 176.35 175.30 3lmu s GLU 28 N 1.23 2.34 0.19 1.98 2.12 -1.26 -5.07 118.70 120.23 3lmu s GLU 28 Ca -0.03 -1.44 -0.33 0.00 0.36 0.00 0.00 54.97 53.53 3lmu s GLU 28 Cb -0.18 -3.40 -0.14 0.00 0.26 0.00 0.00 34.13 30.67 3lmu s GLU 28 CO -0.05 -0.79 1.47 -0.89 -0.54 0.00 0.00 175.26 174.46 3lmu n ILE 29 N 4.67 0.45 -0.08 -3.70 5.41 -1.26 -4.56 119.36 120.29 3lmu n ILE 29 Ca -0.09 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.54 3lmu n ILE 29 Cb 0.43 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 3lmu n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3lmu n ILE 30 N 2.61 0.00 -3.64 1.39 -5.35 -0.63 -5.00 119.36 108.74 3lmu n ILE 30 Ca 0.15 -0.38 -0.04 0.00 -0.27 0.00 0.00 62.75 62.21 3lmu n ILE 30 Cb 0.29 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.51 -0.56 -0.10 7.28 0.15 -1.23 -5.00 113.70 113.74 3lmu s SER 31 Ca 0.00 0.92 -0.15 0.00 0.70 0.00 0.00 55.95 57.42 3lmu s SER 31 Cb 0.00 1.20 0.03 0.00 -1.71 0.00 0.00 66.02 65.54 3lmu s SER 31 CO 0.00 -0.15 0.38 -0.70 1.20 0.00 0.00 173.24 173.97 3lmu s GLU 32 N 1.26 0.56 0.03 5.44 2.12 -1.26 -0.07 118.70 126.78 3lmu s GLU 32 Ca -0.08 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.52 3lmu s GLU 32 Cb -0.04 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 3lmu s GLU 32 CO -0.15 -0.11 -0.02 0.96 -0.54 0.00 0.00 175.26 175.41 3lmu s ILE 33 N -0.38 0.15 0.00 -3.70 -4.36 0.38 -4.99 121.20 108.30 3lmu s ILE 33 Ca -0.05 -1.23 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 3lmu s ILE 33 Cb -0.03 -0.74 0.00 0.00 1.25 0.00 0.00 42.46 42.93 3lmu s ILE 33 CO 0.02 -0.68 0.00 2.29 0.24 0.00 0.00 174.94 176.82 3lmu n LYS 34 N 1.02 1.76 -1.70 0.37 -0.00 -1.26 -0.38 118.16 117.96 3lmu n LYS 34 Ca -0.20 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.73 3lmu n LYS 34 Cb 0.57 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.65 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 1.95 0.00 -5.58 4.13 -0.59 -3.30 115.26 111.86 3lmu n ASN 35 Ca 0.00 0.90 0.00 0.00 1.68 0.00 0.00 54.58 57.16 3lmu n ASN 35 Cb 0.00 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 36.73 3lmu n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3lmu n GLY 36 N 0.96 0.17 3.58 7.41 0.00 -0.77 -2.34 105.19 114.21 3lmu n GLY 36 Ca 0.13 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 3.07 -0.18 0.99 1.43 -0.52 -1.00 118.68 122.47 3lmu s LEU 37 Ca 0.00 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3lmu s LEU 37 Cb 0.00 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3lmu s LEU 37 CO 0.00 0.20 -0.09 -0.51 0.23 0.00 0.00 176.35 176.18 3lmu s ILE 38 N -1.16 3.20 -0.27 -0.59 2.07 -0.07 -0.92 121.20 123.45 3lmu s ILE 38 Ca 0.21 -0.58 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 3lmu s ILE 38 Cb -0.11 -2.40 0.04 0.00 0.13 0.00 0.00 42.46 40.12 3lmu s ILE 38 CO 0.12 0.48 -0.04 0.00 -1.91 0.00 0.00 174.94 173.59 3lmu s PHE 40 N 1.26 2.96 -0.22 0.00 0.08 -0.40 -1.44 117.98 120.21 3lmu s PHE 40 Ca -0.04 0.60 -0.09 0.00 0.12 0.00 0.00 56.93 57.53 3lmu s PHE 40 Cb -0.19 -3.95 -0.04 0.00 -0.57 0.00 0.00 43.02 38.28 3lmu s PHE 40 CO -0.03 -1.03 0.10 -1.17 -0.10 0.00 0.00 175.22 172.99 3lmu s LEU 41 N 3.79 3.82 -0.31 -0.37 2.96 0.45 -1.98 118.68 127.05 3lmu s LEU 41 Ca 0.40 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 3lmu s LEU 41 Cb -0.10 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.62 3lmu s LEU 41 CO 0.24 0.07 0.04 -0.83 -1.32 0.00 0.00 176.35 174.55 3lmu s GLY 42 N 1.00 1.77 -0.26 7.98 0.00 0.13 0.10 107.32 118.04 3lmu s GLY 42 Ca 0.05 -1.68 -0.21 0.00 0.00 0.00 0.00 44.72 42.87 3lmu s GLY 42 CO 0.03 0.70 0.68 -0.26 0.00 0.00 0.00 173.10 174.25 3lmu s ILE 43 N 1.34 4.93 0.26 0.90 -5.25 -1.26 -0.90 121.20 121.22 3lmu s ILE 43 Ca -0.02 1.19 -0.16 0.00 -0.99 0.00 0.00 60.65 60.67 3lmu s ILE 43 Cb -0.19 -4.00 -0.08 0.00 2.95 0.00 0.00 42.46 41.14 3lmu s ILE 43 CO 0.00 -0.04 0.70 -2.28 -1.79 0.00 0.00 174.94 171.54 3lmu s HIS 44 N 2.62 3.49 0.20 1.37 2.46 -1.26 -2.57 115.29 121.61 3lmu s HIS 44 Ca 0.28 1.24 -0.10 0.00 0.47 0.00 0.00 55.06 56.95 3lmu s HIS 44 Cb -0.15 -2.53 0.24 0.00 -0.13 0.00 0.00 32.58 30.01 3lmu s HIS 44 CO 0.09 0.22 1.76 1.57 -2.47 0.00 0.00 174.74 175.92 3lmu h LYS 45 N 2.80 0.46 -0.98 2.88 2.10 -1.12 -0.90 116.57 121.81 3lmu h LYS 45 Ca -0.48 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.00 3lmu h LYS 45 Cb 1.18 -0.10 -0.09 0.00 -0.90 0.00 0.00 32.23 32.32 3lmu h LYS 45 CO 0.66 0.31 0.19 0.09 -2.00 0.00 0.00 179.45 178.69 3lmu n ASN 46 N -4.93 3.15 -4.73 7.07 3.02 -1.26 -4.92 115.26 112.65 3lmu n ASN 46 Ca 0.08 -2.49 -0.41 0.00 -0.03 0.00 0.00 54.58 51.73 3lmu n ASN 46 Cb 0.23 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.20 7.41 0.37 6.41 1.11 -0.34 -5.02 116.67 126.80 3lmu s ASP 47 Ca 0.18 1.92 0.07 0.00 0.18 0.00 0.00 52.55 54.90 3lmu s ASP 47 Cb 0.15 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.54 3lmu s ASP 47 CO 0.04 -0.13 0.49 0.42 1.18 0.00 0.00 175.17 177.17 3lmu s THR 48 N -0.10 3.57 -0.20 -1.27 -4.23 -1.26 -5.00 115.64 107.14 3lmu s THR 48 Ca 0.48 -1.05 0.29 0.00 -1.18 0.00 0.00 61.69 60.23 3lmu s THR 48 Cb -0.26 -3.22 0.33 0.00 1.34 0.00 0.00 72.50 70.69 3lmu s THR 48 CO 0.32 -0.09 1.85 -0.25 -0.54 0.00 0.00 174.62 175.90 3lmu h TRP 49 N 0.84 0.00 -0.22 3.99 2.91 -2.00 -1.78 115.95 119.69 3lmu h TRP 49 Ca -0.43 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.44 3lmu h TRP 49 Cb 1.27 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 3lmu h TRP 49 CO 0.43 0.00 -0.46 0.93 -1.03 0.00 0.00 178.44 178.31 3lmu h GLU 50 N 0.00 0.55 -0.06 2.65 4.39 -1.99 -1.32 114.58 118.81 3lmu h GLU 50 Ca 0.00 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.42 3lmu h GLU 50 Cb 0.50 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3lmu h GLU 50 CO 0.00 0.90 -0.07 -0.44 -1.16 0.00 0.00 179.01 178.24 3lmu h ASP 51 N 0.44 -0.20 -0.34 1.42 3.32 -1.71 -2.08 116.42 117.26 3lmu h ASP 51 Ca 0.03 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3lmu h ASP 51 Cb 0.97 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 3lmu h ASP 51 CO 0.09 -0.10 0.03 0.00 -1.72 0.00 0.00 179.24 177.54 3lmu h ALA 52 N 0.95 0.34 -0.62 3.45 0.00 -1.36 -2.48 119.26 119.55 3lmu h ALA 52 Ca 0.05 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3lmu h ALA 52 Cb 0.16 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3lmu h ALA 52 CO -0.11 -0.37 0.27 -0.07 0.00 0.00 0.00 179.25 178.97 3lmu h LEU 53 N 0.14 0.33 -0.08 0.00 3.38 -0.98 -1.15 115.31 116.94 3lmu h LEU 53 Ca 0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3lmu h LEU 53 Cb 0.21 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3lmu h LEU 53 CO -0.25 0.20 0.05 0.22 0.09 0.00 0.00 178.44 178.74 3lmu h TYR 54 N 0.49 0.08 0.17 1.13 3.20 -0.93 -0.66 116.97 120.44 3lmu h TYR 54 Ca 0.30 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.19 3lmu h TYR 54 Cb 0.32 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3lmu h TYR 54 CO -0.14 0.05 -0.40 0.82 -1.64 0.00 0.00 178.16 176.85 3lmu h ILE 55 N 0.10 0.18 -0.80 1.81 1.08 -1.16 -1.98 117.51 116.74 3lmu h ILE 55 Ca 0.03 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.68 3lmu h ILE 55 Cb -0.00 0.18 -0.14 0.00 -3.07 0.00 0.00 36.82 33.79 3lmu h ILE 55 CO -0.02 0.00 -0.05 0.40 -0.69 0.00 0.00 178.15 177.80 3lmu h ILE 56 N -0.67 0.26 0.63 -0.67 2.04 -0.66 -1.71 117.51 116.73 3lmu h ILE 56 Ca 0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3lmu h ILE 56 Cb 0.67 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3lmu h ILE 56 CO -0.21 0.01 -0.37 0.03 0.00 0.00 0.00 178.15 177.62 3lmu h ARG 57 N 0.06 -0.90 0.20 2.37 2.47 -0.66 -2.20 114.38 115.71 3lmu h ARG 57 Ca 0.43 0.06 0.01 0.00 -1.26 0.00 0.00 59.98 59.22 3lmu h ARG 57 Cb 0.75 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 29.24 3lmu h ARG 57 CO -0.74 -0.60 -0.33 0.87 0.56 0.00 0.00 179.97 179.73 3lmu h LYS 58 N -0.94 -0.58 -0.99 0.04 1.79 -0.69 0.28 116.57 115.49 3lmu h LYS 58 Ca -0.08 0.04 0.20 0.00 -2.18 0.00 0.00 60.65 58.63 3lmu h LYS 58 Cb 0.75 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.44 3lmu h LYS 58 CO 0.09 -0.39 0.62 0.00 -1.08 0.00 0.00 179.45 178.69 3lmu h LEU 60 N 0.65 0.00 0.00 0.00 3.38 -0.47 -3.40 115.31 115.47 3lmu h LEU 60 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3lmu h LEU 60 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3lmu h LEU 60 CO -0.33 0.66 -0.47 0.59 0.09 0.00 0.00 178.44 178.98 3lmu n ASN 61 N -3.31 2.37 -4.70 -0.43 3.02 0.84 -4.08 115.26 108.97 3lmu n ASN 61 Ca 0.01 -0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 53.96 3lmu n ASN 61 Cb 0.78 0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 40.72 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 -1.04 3.77 -4.06 3.41 4.77 0.13 -4.69 117.00 119.28 3lmu n LEU 62 Ca 0.00 1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 56.60 3lmu n LEU 62 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 3lmu n LEU 62 CO 0.00 0.06 1.97 0.54 -1.33 0.00 0.00 177.39 178.63 3lmu n ARG 63 N 4.33 3.37 -0.34 3.23 1.74 -1.26 -4.26 116.66 123.47 3lmu n ARG 63 Ca 0.17 -3.39 0.04 0.00 -0.77 0.00 0.00 57.85 53.90 3lmu n ARG 63 Cb 0.34 -3.09 0.18 0.00 -1.02 0.00 0.00 32.46 28.87 3lmu n ARG 63 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3lmu n LEU 64 N 5.23 2.76 -4.13 0.55 4.77 -0.70 -1.85 117.00 123.62 3lmu n LEU 64 Ca 0.43 -1.39 -0.22 0.00 -0.03 0.00 0.00 56.01 54.79 3lmu n LEU 64 Cb 0.39 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 3lmu n LEU 64 CO 0.78 0.45 -0.48 0.26 -1.33 0.00 0.00 177.39 177.07 3lmu s TRP 65 N -1.73 1.31 0.61 -1.77 0.51 -0.25 -4.92 118.94 112.70 3lmu s TRP 65 Ca 0.25 -0.29 -0.13 0.00 -2.12 0.00 0.00 56.10 53.82 3lmu s TRP 65 Cb 0.17 -0.82 -0.04 0.00 -0.81 0.00 0.00 33.47 31.97 3lmu s TRP 65 CO 0.11 0.00 1.03 -0.80 -0.51 0.00 0.00 176.95 176.78 3lmu s ASN 66 N -0.64 6.09 -0.42 2.95 -0.87 -1.26 -0.59 114.94 120.20 3lmu s ASN 66 Ca 0.05 1.53 0.03 0.00 -1.57 0.00 0.00 52.86 52.89 3lmu s ASN 66 Cb -0.06 -2.49 0.16 0.00 -0.02 0.00 0.00 41.25 38.83 3lmu s ASN 66 CO 0.00 -0.96 0.30 0.21 -2.57 0.00 0.00 177.10 174.08 3lmu s ASN 67 N -3.74 2.41 0.70 -1.22 2.47 0.89 -4.72 114.94 111.73 3lmu s ASN 67 Ca 0.57 -2.79 0.00 0.00 0.42 0.00 0.00 52.86 51.06 3lmu s ASN 67 Cb -0.12 -0.58 0.00 0.00 -1.45 0.00 0.00 41.25 39.11 3lmu s ASN 67 CO 0.48 -0.22 0.00 0.47 -3.72 0.00 0.00 177.10 174.11 3lmu n ASP 68 N 3.24 0.00 0.29 -4.21 8.00 -1.26 -1.69 116.55 120.93 3lmu n ASP 68 Ca 0.21 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.88 3lmu n ASP 68 Cb 0.42 0.00 0.95 0.00 -0.02 0.00 0.00 41.12 42.47 3lmu n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3lmu h ASN 69 N 0.00 0.00 -2.90 -2.24 -1.07 -2.04 -3.42 115.58 103.91 3lmu h ASN 69 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.74 3lmu h ASN 69 Cb 0.00 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 3lmu h ASN 69 CO 0.00 0.00 -0.36 -0.54 0.07 0.00 0.00 177.43 176.60 3lmu s LYS 70 N -4.56 3.77 0.37 4.14 3.01 -0.68 -5.10 119.74 120.69 3lmu s LYS 70 Ca -0.05 0.09 0.08 0.00 -1.01 0.00 0.00 55.97 55.08 3lmu s LYS 70 Cb 0.15 -3.25 -0.04 0.00 -1.01 0.00 0.00 37.83 33.69 3lmu s LYS 70 CO 0.52 0.65 0.24 0.95 0.51 0.00 0.00 175.35 178.22 3lmu s THR 71 N -0.76 2.94 -0.72 2.17 -4.23 -1.26 -0.08 115.64 113.70 3lmu s THR 71 Ca 0.18 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3lmu s THR 71 Cb -0.14 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3lmu s THR 71 CO 0.07 -0.11 0.54 0.79 -0.54 0.00 0.00 174.62 175.37 3lmu n TRP 72 N -1.31 -1.84 0.00 3.99 7.02 -1.25 -4.87 117.44 119.18 3lmu n TRP 72 Ca -0.01 0.76 0.00 0.00 -1.02 0.00 0.00 57.50 57.23 3lmu n TRP 72 Cb 0.62 -2.39 0.00 0.00 -2.42 0.00 0.00 31.31 27.12 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 -2.17 0.00 -4.60 -0.99 2.03 -0.46 -4.86 116.55 105.50 3lmu n ASP 73 Ca -0.28 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.71 3lmu n ASP 73 Cb 0.62 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.02 2.51 0.56 -0.67 -0.14 0.24 -4.89 119.74 116.32 3lmu s LYS 74 Ca 0.00 -0.76 0.06 0.00 -1.36 0.00 0.00 55.97 53.91 3lmu s LYS 74 Cb 0.00 -2.49 0.05 0.00 -1.68 0.00 0.00 37.83 33.72 3lmu s LYS 74 CO 0.00 0.59 0.51 0.54 -0.76 0.00 0.00 175.35 176.22 3lmu s ASN 75 N -1.57 4.73 0.41 2.83 2.20 -1.26 -1.10 114.94 121.19 3lmu s ASN 75 Ca 0.18 -1.17 0.15 0.00 -0.94 0.00 0.00 52.86 51.08 3lmu s ASN 75 Cb -0.11 0.44 0.89 0.00 -2.00 0.00 0.00 41.25 40.47 3lmu s ASN 75 CO 0.09 -1.19 1.90 1.62 -2.94 0.00 0.00 177.10 176.58 3lmu h VAL 76 N 0.58 1.13 -0.07 3.54 3.04 -1.75 -2.08 116.25 120.65 3lmu h VAL 76 Ca -0.35 -0.99 -0.23 0.00 -1.01 0.00 0.00 66.70 64.13 3lmu h VAL 76 Cb 1.30 1.54 0.01 0.00 -2.01 0.00 0.00 31.29 32.14 3lmu h VAL 76 CO 0.53 0.28 -0.85 0.11 -1.01 0.00 0.00 177.57 176.62 3lmu h LYS 77 N 0.00 0.71 -0.12 4.17 1.57 -1.86 0.20 116.57 121.24 3lmu h LYS 77 Ca -0.00 -0.66 0.03 0.00 -1.87 0.00 0.00 60.65 58.15 3lmu h LYS 77 Cb 0.52 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3lmu h LYS 77 CO 0.04 1.26 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.65 3lmu h ASP 78 N 0.39 -0.27 -0.01 0.86 3.32 -1.73 0.12 116.42 119.11 3lmu h ASP 78 Ca -0.09 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3lmu h ASP 78 Cb 1.50 0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3lmu h ASP 78 CO 0.17 -0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 3lmu n LEU 79 N -5.22 0.07 -3.05 1.55 4.77 -0.99 -4.87 117.00 109.26 3lmu n LEU 79 Ca -0.04 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 3lmu n LEU 79 Cb 0.15 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3lmu n LEU 79 CO 0.25 0.02 0.20 -3.20 -1.33 0.00 0.00 177.39 173.33 3lmu n ASN 80 N -0.71 -5.65 -4.97 -1.43 2.85 0.41 -4.98 115.26 100.78 3lmu n ASN 80 Ca 0.13 -0.44 -0.20 0.00 -0.11 0.00 0.00 54.58 53.96 3lmu n ASN 80 Cb 0.07 -4.27 0.06 0.00 1.24 0.00 0.00 39.78 36.88 3lmu n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3lmu s TYR 81 N -3.26 1.79 0.22 1.20 2.02 0.67 -5.01 117.35 114.98 3lmu s TYR 81 Ca 0.48 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.68 3lmu s TYR 81 Cb -0.21 -2.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.91 3lmu s TYR 81 CO 0.59 -1.09 0.26 -1.21 -1.57 0.00 0.00 175.55 172.53 3lmu s GLU 82 N -4.69 3.18 0.05 -0.62 2.02 -0.99 -4.77 118.70 112.88 3lmu s GLU 82 Ca 0.61 -0.85 0.09 0.00 0.02 0.00 0.00 54.97 54.85 3lmu s GLU 82 Cb -0.07 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 3lmu s GLU 82 CO 0.39 0.45 -0.26 -0.51 0.02 0.00 0.00 175.26 175.34 3lmu s LEU 83 N -3.66 2.17 -0.21 1.80 1.02 -0.74 -1.44 118.68 117.62 3lmu s LEU 83 Ca 0.33 -0.59 -0.01 0.00 0.02 0.00 0.00 54.13 53.88 3lmu s LEU 83 Cb -0.09 -1.28 0.01 0.00 0.02 0.00 0.00 46.19 44.85 3lmu s LEU 83 CO 0.27 0.26 -0.12 -0.22 0.02 0.00 0.00 176.35 176.55 3lmu s LEU 84 N -1.26 2.62 -0.23 1.79 2.96 -0.10 -1.57 118.68 122.89 3lmu s LEU 84 Ca 0.12 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 3lmu s LEU 84 Cb -0.10 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3lmu s LEU 84 CO 0.02 -0.04 0.09 -0.63 -1.32 0.00 0.00 176.35 174.48 3lmu s ILE 85 N 1.35 4.75 -0.13 6.68 -1.09 0.28 -0.48 121.20 132.56 3lmu s ILE 85 Ca 0.04 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3lmu s ILE 85 Cb -0.14 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.56 3lmu s ILE 85 CO -0.08 0.37 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.17 3lmu s VAL 86 N 1.11 1.47 0.19 2.92 1.01 -0.52 -3.33 120.40 123.25 3lmu s VAL 86 Ca 0.05 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 3lmu s VAL 86 Cb -0.14 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 3lmu s VAL 86 CO 0.04 0.44 1.47 -0.55 0.00 0.00 0.00 175.10 176.50 3lmu s SER 87 N 1.32 6.67 -0.31 3.32 0.15 -1.26 -0.41 113.70 123.18 3lmu s SER 87 Ca 0.00 2.58 -0.00 0.00 0.70 0.00 0.00 55.95 59.23 3lmu s SER 87 Cb -0.14 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.70 3lmu s SER 87 CO -0.07 -0.73 0.27 -1.58 1.20 0.00 0.00 173.24 172.34 3lmu s GLN 88 N 0.42 0.39 0.21 5.44 2.00 0.28 -4.80 119.66 123.60 3lmu s GLN 88 Ca 0.64 -0.49 0.26 0.00 -2.00 0.00 0.00 55.36 53.76 3lmu s GLN 88 Cb -0.41 -0.83 0.87 0.00 0.80 0.00 0.00 33.01 33.44 3lmu s GLN 88 CO 0.37 -1.08 1.77 1.97 -0.50 0.00 0.00 175.29 177.81 3lmu n PHE 89 N 4.94 0.85 0.34 1.67 1.16 -1.26 -3.17 117.46 121.99 3lmu n PHE 89 Ca 0.01 0.26 0.10 0.00 -1.87 0.00 0.00 57.45 55.96 3lmu n PHE 89 Cb 0.44 -0.93 0.45 0.00 -1.61 0.00 0.00 39.48 37.83 3lmu n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3lmu n THR 90 N -2.21 0.97 0.07 1.97 -2.24 -1.26 -0.54 114.28 111.05 3lmu n THR 90 Ca 0.05 0.35 0.01 0.00 -2.27 0.00 0.00 64.05 62.19 3lmu n THR 90 Cb 0.38 -1.27 0.04 0.00 -2.10 0.00 0.00 70.33 67.38 3lmu n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3lmu n LEU 91 N -2.08 0.00 -0.41 3.22 4.77 -1.19 -1.18 117.00 120.13 3lmu n LEU 91 Ca 0.01 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.53 3lmu n LEU 91 Cb 0.17 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 40.89 3lmu n LEU 91 CO 0.15 -0.45 0.59 0.49 -1.33 0.00 0.00 177.39 176.84 3lmu n PHE 92 N -1.49 0.34 -1.95 -1.77 3.72 0.30 -4.93 117.46 111.68 3lmu n PHE 92 Ca 0.01 -0.63 -0.43 0.00 -0.05 0.00 0.00 57.45 56.35 3lmu n PHE 92 Cb 0.02 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.39 0.79 0.11 1.37 0.00 -0.33 -4.28 107.32 103.59 3lmu s GLY 93 Ca 0.20 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.98 3lmu s GLY 93 CO 0.08 3.32 1.04 0.21 0.00 0.00 0.00 173.10 177.75 3lmu s ASN 94 N 6.24 7.36 0.00 1.64 3.84 0.28 -4.73 114.94 129.58 3lmu s ASN 94 Ca 0.82 1.90 0.00 0.00 0.21 0.00 0.00 52.86 55.79 3lmu s ASN 94 Cb -0.24 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.87 3lmu s ASN 94 CO 0.34 -0.18 0.80 0.35 -2.79 0.00 0.00 177.10 175.62 3lmu n THR 95 N 2.91 0.64 0.20 -5.21 -2.24 -1.26 -2.64 114.28 106.68 3lmu n THR 95 Ca 0.04 -0.73 0.08 0.00 -2.27 0.00 0.00 64.05 61.17 3lmu n THR 95 Cb 0.48 0.72 0.36 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.00 0.00 0.00 -0.78 1.57 -1.96 -3.37 116.57 112.03 3lmu h LYS 96 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lmu h LYS 96 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3lmu h LYS 96 CO 0.00 0.29 0.00 1.63 -0.57 0.00 0.00 179.45 180.80 3lmu n LYS 97 N -3.38 0.00 -4.07 3.15 5.02 -1.26 -5.06 118.16 112.56 3lmu n LYS 97 Ca 0.00 0.25 -0.20 0.00 -2.02 0.00 0.00 58.31 56.35 3lmu n LYS 97 Cb 0.50 -0.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.73 3lmu n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lmu n GLY 98 N 1.98 3.15 0.43 0.72 0.00 -1.26 -5.04 105.19 105.16 3lmu n GLY 98 Ca 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.09 3lmu n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lmu n ASN 99 N -1.72 1.21 -4.41 1.61 3.02 -1.26 -4.50 115.26 109.20 3lmu n ASN 99 Ca 0.02 -2.02 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 3lmu n ASN 99 Cb 0.55 -0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3lmu s LYS 100 N -1.70 3.57 1.29 3.52 2.20 -1.26 -5.11 119.74 122.25 3lmu s LYS 100 Ca 0.14 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 55.01 3lmu s LYS 100 Cb 0.08 -3.10 0.32 0.00 -1.51 0.00 0.00 37.83 33.61 3lmu s LYS 100 CO 0.09 -0.07 1.04 -2.14 -0.36 0.00 0.00 175.35 173.91 3lmu s PRO 101 N 1.21 -1.93 -0.25 4.03 0.02 -1.26 -4.92 135.00 131.90 3lmu s PRO 101 Ca 0.03 0.04 -0.07 0.00 0.02 0.00 0.00 61.00 61.02 3lmu s PRO 101 Cb -0.15 -1.50 0.12 0.00 0.02 0.00 0.00 34.50 32.99 3lmu s PRO 101 CO 0.01 -4.20 0.52 0.34 -0.33 0.00 0.00 177.00 173.34 3lmu s ASP 102 N -3.55 -0.66 -0.49 2.53 2.15 -1.08 -4.88 116.67 110.68 3lmu s ASP 102 Ca 0.70 1.12 0.03 0.00 0.43 0.00 0.00 52.55 54.82 3lmu s ASP 102 Cb -0.11 1.77 0.45 0.00 -0.30 0.00 0.00 42.92 44.72 3lmu s ASP 102 CO 0.57 -0.24 1.59 0.49 -0.17 0.00 0.00 175.17 177.41 3lmu n PHE 103 N 5.41 3.01 -0.20 -5.34 3.72 -1.26 -0.55 117.46 122.25 3lmu n PHE 103 Ca -0.08 -2.63 -0.08 0.00 -0.05 0.00 0.00 57.45 54.61 3lmu n PHE 103 Cb 0.50 -0.84 0.02 0.00 -0.94 0.00 0.00 39.48 38.22 3lmu n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3lmu h HIS 104 N 2.18 0.94 -0.00 1.38 -0.00 -1.98 -2.83 115.15 114.84 3lmu h HIS 104 Ca 0.48 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 3lmu h HIS 104 Cb 1.10 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 3lmu h HIS 104 CO 1.11 0.81 -0.01 1.28 -0.00 0.00 0.00 177.93 181.12 3lmu n LEU 105 N -4.40 0.25 -4.86 0.26 4.32 -1.26 -4.80 117.00 106.52 3lmu n LEU 105 Ca 0.03 -0.05 -0.31 0.00 -0.02 0.00 0.00 56.01 55.66 3lmu n LEU 105 Cb 0.23 -0.04 -0.01 0.00 -1.62 0.00 0.00 43.42 41.98 3lmu n LEU 105 CO 0.40 0.04 0.67 0.00 -1.22 0.00 0.00 177.39 177.29 3lmu s ALA 106 N -2.09 3.11 0.17 -1.18 0.00 -1.07 -0.70 121.76 120.02 3lmu s ALA 106 Ca 0.43 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 3lmu s ALA 106 Cb 0.22 -3.05 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 3lmu s ALA 106 CO 0.38 -0.43 0.90 0.21 0.00 0.00 0.00 175.76 176.82 3lmu s LYS 107 N -4.58 4.73 -0.09 0.00 2.20 -1.06 -4.41 119.74 116.53 3lmu s LYS 107 Ca 0.56 1.38 -0.34 0.00 -0.36 0.00 0.00 55.97 57.21 3lmu s LYS 107 Cb -0.10 -3.31 -0.12 0.00 -1.51 0.00 0.00 37.83 32.79 3lmu s LYS 107 CO 0.42 0.42 1.88 -0.85 -0.36 0.00 0.00 175.35 176.86 3lmu n GLU 108 N 1.99 2.16 -0.05 4.03 0.28 -1.26 -4.54 120.64 123.25 3lmu n GLU 108 Ca -0.01 0.79 -0.01 0.00 -0.16 0.00 0.00 57.16 57.77 3lmu n GLU 108 Cb 0.48 -2.64 -0.00 0.00 1.43 0.00 0.00 31.44 30.71 3lmu n GLU 108 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3lmu n PRO 109 N 6.60 -0.05 0.05 3.44 -0.02 -1.26 0.20 135.00 143.97 3lmu n PRO 109 Ca 0.23 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 3lmu n PRO 109 Cb 0.29 -0.30 -0.06 0.00 -0.02 0.00 0.00 33.50 33.41 3lmu n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3lmu h ASN 110 N 0.00 -1.18 -0.14 2.55 4.21 -2.00 0.28 115.58 119.30 3lmu h ASN 110 Ca 0.03 0.15 -0.08 0.00 1.21 0.00 0.00 56.30 57.61 3lmu h ASN 110 Cb 0.07 0.47 -0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3lmu h ASN 110 CO -0.13 -0.43 -0.21 -0.33 -1.29 0.00 0.00 177.43 175.04 3lmu h GLU 111 N -0.53 0.39 -0.58 0.81 3.07 -0.60 -3.16 114.58 113.98 3lmu h GLU 111 Ca 0.06 -0.23 0.12 0.00 -0.50 0.00 0.00 59.36 58.80 3lmu h GLU 111 Cb 0.62 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.46 3lmu h GLU 111 CO -0.32 0.82 0.01 0.00 -1.40 0.00 0.00 179.01 178.12 3lmu h ALA 112 N 0.57 0.57 -0.74 3.43 0.00 -0.62 -2.02 119.26 120.45 3lmu h ALA 112 Ca 0.01 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3lmu h ALA 112 Cb 0.78 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 3lmu h ALA 112 CO 0.05 -0.38 0.34 1.25 0.00 0.00 0.00 179.25 180.50 3lmu h LEU 113 N 0.13 0.39 0.09 0.00 5.85 -0.41 0.29 115.31 121.65 3lmu h LEU 113 Ca 0.30 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.10 3lmu h LEU 113 Cb 0.47 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3lmu h LEU 113 CO -0.48 0.19 -0.04 0.40 -0.34 0.00 0.00 178.44 178.17 3lmu h ILE 114 N 0.54 1.14 -0.70 4.05 2.04 -1.41 -0.27 117.51 122.90 3lmu h ILE 114 Ca 0.38 -0.97 0.15 0.00 1.00 0.00 0.00 64.86 65.43 3lmu h ILE 114 Cb 0.49 1.75 -0.12 0.00 -0.74 0.00 0.00 36.82 38.20 3lmu h ILE 114 CO -0.33 0.23 -0.00 0.15 0.00 0.00 0.00 178.15 178.20 3lmu h PHE 115 N -0.58 -0.06 0.46 1.37 3.04 -1.09 0.11 116.94 120.20 3lmu h PHE 115 Ca -0.01 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3lmu h PHE 115 Cb 0.47 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 3lmu h PHE 115 CO 0.07 -0.21 -0.34 -0.92 -2.02 0.00 0.00 178.31 174.89 3lmu h TYR 116 N 0.11 -0.90 -0.86 0.41 3.20 -0.17 -0.31 116.97 118.45 3lmu h TYR 116 Ca 0.37 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.38 3lmu h TYR 116 Cb 0.63 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 3lmu h TYR 116 CO -0.41 -0.50 0.56 -0.91 -1.64 0.00 0.00 178.16 175.26 3lmu h ASN 117 N -0.78 0.60 -0.46 -2.11 2.35 -0.25 -0.25 115.58 114.68 3lmu h ASN 117 Ca -0.05 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3lmu h ASN 117 Cb 0.66 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3lmu h ASN 117 CO 0.02 0.31 0.23 0.11 -1.65 0.00 0.00 177.43 176.44 3lmu h LYS 118 N 0.64 0.66 -0.14 0.81 6.56 0.07 -1.24 116.57 123.92 3lmu h LYS 118 Ca 0.43 -0.09 0.03 0.00 -1.06 0.00 0.00 60.65 59.95 3lmu h LYS 118 Cb 0.73 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.24 3lmu h LYS 118 CO -0.18 0.56 -0.04 0.82 -2.06 0.00 0.00 179.45 178.54 3lmu h ILE 119 N 0.60 0.84 -0.92 1.86 2.04 0.60 -2.14 117.51 120.39 3lmu h ILE 119 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 3lmu h ILE 119 Cb 0.11 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 3lmu h ILE 119 CO -0.02 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.13 3lmu h ILE 120 N -0.01 1.08 0.11 -0.67 1.08 -0.91 0.15 117.51 118.33 3lmu h ILE 120 Ca 0.07 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3lmu h ILE 120 Cb 0.12 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 3lmu h ILE 120 CO -0.15 0.19 -0.05 0.44 -0.69 0.00 0.00 178.15 177.89 3lmu h ASP 121 N 1.07 -0.12 -0.51 1.72 3.32 -0.94 -2.52 116.42 118.44 3lmu h ASP 121 Ca 0.39 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.51 3lmu h ASP 121 Cb 0.17 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3lmu h ASP 121 CO -0.14 -0.06 0.09 -0.08 -1.72 0.00 0.00 179.24 177.33 3lmu h GLU 122 N -0.18 0.22 -0.58 3.56 4.57 -0.59 -0.43 114.58 121.16 3lmu h GLU 122 Ca -0.01 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.27 3lmu h GLU 122 Cb 0.14 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.57 3lmu h GLU 122 CO 0.02 0.15 -0.12 0.74 -1.18 0.00 0.00 179.01 178.62 3lmu h PHE 123 N 0.23 -0.26 -0.47 0.92 0.04 -0.77 0.91 116.94 117.53 3lmu h PHE 123 Ca 0.26 0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.97 3lmu h PHE 123 Cb 0.36 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3lmu h PHE 123 CO -0.24 -0.23 -0.14 0.87 -0.60 0.00 0.00 178.31 177.97 3lmu h LYS 124 N 0.02 0.92 0.36 1.51 1.57 -0.76 0.94 116.57 121.12 3lmu h LYS 124 Ca 0.28 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3lmu h LYS 124 Cb 0.44 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3lmu h LYS 124 CO -0.58 1.02 -0.42 0.87 -0.57 0.00 0.00 179.45 179.77 3lmu h LYS 125 N 0.77 -0.76 -0.90 3.15 1.79 -0.25 -2.51 116.57 117.85 3lmu h LYS 125 Ca 0.12 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.72 3lmu h LYS 125 Cb 0.69 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.45 3lmu h LYS 125 CO 0.05 -0.51 0.58 1.96 -1.08 0.00 0.00 179.45 180.46 3lmu h GLN 126 N -0.79 0.92 0.00 3.15 4.20 -0.75 -3.42 115.11 118.42 3lmu h GLN 126 Ca -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3lmu h GLN 126 Cb 0.70 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3lmu h GLN 126 CO -0.08 0.61 0.00 0.98 -0.67 0.00 0.00 178.83 179.66 3lmu n TYR 127 N -4.52 0.00 -3.79 2.96 9.36 0.31 -5.10 117.16 116.39 3lmu n TYR 127 Ca 0.15 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.24 3lmu n TYR 127 Cb 0.27 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.15 0.45 2.98 2.47 -0.96 -4.92 114.94 114.60 3lmu s ASN 128 Ca 0.00 0.32 0.26 0.00 0.42 0.00 0.00 52.86 53.85 3lmu s ASN 128 Cb 0.00 0.27 1.29 0.00 -1.45 0.00 0.00 41.25 41.35 3lmu s ASN 128 CO 0.00 -0.10 1.78 -0.78 -3.72 0.00 0.00 177.10 174.28 3lmu h ASP 129 N 6.53 0.27 0.66 -4.21 -0.00 -1.92 -0.93 116.42 116.82 3lmu h ASP 129 Ca -0.33 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 3lmu h ASP 129 Cb 1.17 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 3lmu h ASP 129 CO 0.42 0.04 -0.34 -0.67 -0.00 0.00 0.00 179.24 178.69 3lmu n ASP 130 N -4.47 0.34 0.00 2.28 2.03 -1.26 -4.04 116.55 111.44 3lmu n ASP 130 Ca 0.26 -0.02 0.11 0.00 0.52 0.00 0.00 54.79 55.66 3lmu n ASP 130 Cb 1.03 0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 41.30 3lmu n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3lmu n LYS 131 N -1.50 0.53 -3.43 -0.67 4.76 -0.36 -4.89 118.16 112.61 3lmu n LYS 131 Ca 0.06 -0.14 -0.37 0.00 -2.87 0.00 0.00 58.31 54.99 3lmu n LYS 131 Cb 0.34 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 31.92 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 -3.41 5.25 0.14 -0.18 -1.09 -1.21 -1.79 121.20 118.91 3lmu s ILE 132 Ca -0.04 0.73 0.08 0.00 -2.23 0.00 0.00 60.65 59.19 3lmu s ILE 132 Cb 0.14 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 3lmu s ILE 132 CO 0.89 0.35 -0.17 -0.54 -1.23 0.00 0.00 174.94 174.24 3lmu s LYS 133 N 0.59 1.17 0.27 2.79 -0.14 -0.61 -5.00 119.74 118.82 3lmu s LYS 133 Ca 0.21 -1.33 0.05 0.00 -1.36 0.00 0.00 55.97 53.54 3lmu s LYS 133 Cb -0.14 -1.19 -0.02 0.00 -1.68 0.00 0.00 37.83 34.80 3lmu s LYS 133 CO 0.07 0.24 0.18 0.44 -0.76 0.00 0.00 175.35 175.52 3lmu n ILE 134 N 0.45 0.00 -3.06 2.17 -5.35 -1.26 -0.56 119.36 111.74 3lmu n ILE 134 Ca -0.15 -1.84 0.00 0.00 -0.27 0.00 0.00 62.75 60.49 3lmu n ILE 134 Cb 0.57 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 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 -0.35 2.74 3.38 3.28 0.00 -1.21 -4.72 105.19 108.31 3lmu n GLY 135 Ca 0.02 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 3lmu n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lmu s LYS 136 N -1.08 2.98 0.14 1.61 -0.14 -1.26 -5.04 119.74 116.95 3lmu s LYS 136 Ca 0.00 -1.37 -0.33 0.00 -1.36 0.00 0.00 55.97 52.90 3lmu s LYS 136 Cb 0.00 -4.15 -0.17 0.00 -1.68 0.00 0.00 37.83 31.83 3lmu s LYS 136 CO 0.00 -1.06 1.00 0.34 -0.76 0.00 0.00 175.35 174.87 3lmu n PHE 137 N 5.23 0.76 -0.51 3.18 7.35 -1.26 -1.54 117.46 130.68 3lmu n PHE 137 Ca -0.12 0.83 0.00 0.00 -0.76 0.00 0.00 57.45 57.40 3lmu n PHE 137 Cb 0.43 -2.17 0.00 0.00 0.35 0.00 0.00 39.48 38.10 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 1.87 0.40 3.90 7.13 0.00 -1.26 -4.95 105.19 112.28 3lmu n GLY 138 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.34 6.44 -0.07 1.61 -0.87 -0.59 -5.04 114.94 114.08 3lmu s ASN 139 Ca 0.00 0.85 -0.30 0.00 -1.57 0.00 0.00 52.86 51.84 3lmu s ASN 139 Cb 0.00 -2.20 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 3lmu s ASN 139 CO 0.00 -0.30 1.35 -0.47 -2.57 0.00 0.00 177.10 175.10 3lmu s TYR 140 N -2.26 2.81 0.34 2.20 5.04 -1.26 -4.92 117.35 119.30 3lmu s TYR 140 Ca 0.46 0.88 0.09 0.00 -2.44 0.00 0.00 57.07 56.06 3lmu s TYR 140 Cb -0.10 -3.59 -0.05 0.00 0.35 0.00 0.00 41.96 38.56 3lmu s TYR 140 CO 0.32 -2.15 0.02 -1.64 -1.34 0.00 0.00 175.55 170.76 3lmu s MET 141 N 2.91 2.11 -0.18 4.97 -1.94 -1.26 -4.41 119.30 121.51 3lmu s MET 141 Ca 0.60 -1.72 -0.02 0.00 -1.71 0.00 0.00 55.69 52.84 3lmu s MET 141 Cb -0.27 -1.96 0.06 0.00 2.01 0.00 0.00 34.83 34.66 3lmu s MET 141 CO 0.22 0.14 0.02 1.21 -0.01 0.00 0.00 175.02 176.61 3lmu s ASN 142 N -3.73 2.81 -0.18 3.03 2.47 0.14 -4.91 114.94 114.57 3lmu s ASN 142 Ca 0.35 -0.75 -0.02 0.00 0.42 0.00 0.00 52.86 52.86 3lmu s ASN 142 Cb -0.01 -0.62 -0.01 0.00 -1.45 0.00 0.00 41.25 39.17 3lmu s ASN 142 CO 0.20 -0.28 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.56 3lmu s ILE 143 N 1.84 3.03 -0.56 -5.21 1.01 -1.26 -0.13 121.20 119.91 3lmu s ILE 143 Ca -0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 3lmu s ILE 143 Cb -0.17 -2.33 0.13 0.00 0.01 0.00 0.00 42.46 40.11 3lmu s ILE 143 CO -0.08 0.48 0.53 -1.81 0.00 0.00 0.00 174.94 174.07 3lmu s ASP 144 N 1.05 6.23 -0.15 3.58 1.01 -0.63 -4.96 116.67 122.80 3lmu s ASP 144 Ca -0.00 -1.83 -0.08 0.00 0.71 0.00 0.00 52.55 51.34 3lmu s ASP 144 Cb -0.15 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 3lmu s ASP 144 CO -0.02 -0.86 0.13 -0.69 0.21 0.00 0.00 175.17 173.95 3lmu s VAL 145 N 1.57 5.43 -0.57 -1.27 1.01 -1.26 -1.73 120.40 123.57 3lmu s VAL 145 Ca 0.05 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3lmu s VAL 145 Cb -0.28 -3.41 0.15 0.00 0.00 0.00 0.00 36.38 32.84 3lmu s VAL 145 CO 0.02 0.54 0.42 -0.89 0.00 0.00 0.00 175.10 175.20 3lmu s THR 146 N -0.42 4.07 0.10 3.92 2.01 -0.36 -5.01 115.64 119.95 3lmu s THR 146 Ca 0.12 -2.39 -0.31 0.00 0.31 0.00 0.00 61.69 59.42 3lmu s THR 146 Cb -0.12 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 3lmu s THR 146 CO 0.01 -0.84 1.30 0.20 -0.69 0.00 0.00 174.62 174.60 3lmu s ASN 147 N 1.69 6.95 -0.92 3.53 0.01 -1.26 -0.49 114.94 124.44 3lmu s ASN 147 Ca 0.12 2.20 -0.06 0.00 -0.71 0.00 0.00 52.86 54.41 3lmu s ASN 147 Cb -0.21 -2.59 0.23 0.00 0.41 0.00 0.00 41.25 39.10 3lmu s ASN 147 CO -0.04 -0.56 0.84 -0.62 -1.51 0.00 0.00 177.10 175.22 3lmu s ASP 148 N 1.00 6.42 0.00 -1.22 2.15 0.22 -4.72 116.67 120.51 3lmu s ASP 148 Ca 0.61 -3.46 0.00 0.00 0.43 0.00 0.00 52.55 50.13 3lmu s ASP 148 Cb -0.34 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3lmu s ASP 148 CO 0.30 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 3lmu n GLY 149 N 2.78 -0.26 3.89 2.66 0.00 -1.26 -3.94 105.19 109.06 3lmu n GLY 149 Ca 0.20 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.16 135.00 132.46 3lmu s PRO 150 Ca 0.00 0.25 -0.01 0.00 0.02 0.00 0.00 61.00 61.27 3lmu s PRO 150 Cb 0.00 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.56 3lmu s PRO 150 CO 0.00 -1.27 -0.03 0.08 -0.33 0.00 0.00 177.00 175.45 3lmu s VAL 151 N -3.43 1.08 -0.12 3.83 1.01 -1.25 -5.04 120.40 116.48 3lmu s VAL 151 Ca 0.60 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3lmu s VAL 151 Cb -0.11 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 3lmu s VAL 151 CO 0.50 -0.00 -0.19 -0.89 0.00 0.00 0.00 175.10 174.52 3lmu s THR 152 N 1.62 2.49 -0.06 3.92 2.01 -1.26 -2.13 115.64 122.23 3lmu s THR 152 Ca -0.01 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3lmu s THR 152 Cb -0.17 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.34 3lmu s THR 152 CO -0.07 0.54 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.59 3lmu s ILE 153 N 0.45 1.49 -0.06 1.82 -1.09 -0.09 -4.95 121.20 118.77 3lmu s ILE 153 Ca -0.13 -0.72 0.05 0.00 -2.23 0.00 0.00 60.65 57.62 3lmu s ILE 153 Cb -0.17 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.39 3lmu s ILE 153 CO 0.06 0.43 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.53 3lmu s TYR 154 N 0.29 2.56 0.01 3.97 5.04 -1.26 -0.02 117.35 127.94 3lmu s TYR 154 Ca -0.10 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.07 3lmu s TYR 154 Cb -0.14 -1.62 -0.01 0.00 0.35 0.00 0.00 41.96 40.54 3lmu s TYR 154 CO 0.04 -0.05 -0.04 0.42 -1.34 0.00 0.00 175.55 174.59 3lmu s ILE 155 N -0.37 0.26 -0.32 3.14 1.01 -0.50 -5.00 121.20 119.42 3lmu s ILE 155 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 3lmu s ILE 155 Cb -0.12 -0.27 0.10 0.00 0.01 0.00 0.00 42.46 42.18 3lmu s ILE 155 CO 0.02 -0.08 0.11 -0.62 0.00 0.00 0.00 174.94 174.37 3lmu s ASP 156 N -0.49 3.95 0.61 3.58 -1.08 -1.26 -1.30 116.67 120.69 3lmu s ASP 156 Ca -0.03 -1.72 0.27 0.00 -0.52 0.00 0.00 52.55 50.55 3lmu s ASP 156 Cb -0.04 -0.84 1.13 0.00 -1.46 0.00 0.00 42.92 41.71 3lmu s ASP 156 CO -0.00 -0.40 1.54 0.71 0.52 0.00 0.00 175.17 177.54 3lmu h THR 157 N 6.34 0.13 0.00 1.71 1.35 -1.24 -0.24 112.91 120.96 3lmu h THR 157 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3lmu h THR 157 Cb 1.01 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3lmu h THR 157 CO 0.47 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.15 3lmu n HIS 158 N -3.37 0.00 -0.48 4.73 8.25 -1.26 -4.90 115.22 118.19 3lmu n HIS 158 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3lmu n HIS 158 Cb 1.15 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.23 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73