#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 2.12 0.52 -0.17 -1.55 118.95 120.66 3lmu s ARG 2 Ca 0.00 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 3lmu s ARG 2 Cb 0.00 -0.78 -0.00 0.00 0.52 0.00 0.00 34.95 34.69 3lmu s ARG 2 CO 0.00 0.03 -0.09 0.54 0.02 0.00 0.00 175.30 175.81 3lmu s VAL 3 N 0.43 0.73 -0.22 3.52 0.11 -0.25 0.17 120.40 124.89 3lmu s VAL 3 Ca -0.06 -0.35 -0.06 0.00 -2.93 0.00 0.00 61.98 58.58 3lmu s VAL 3 Cb -0.10 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 3lmu s VAL 3 CO 0.00 0.22 0.03 -0.69 -3.33 0.00 0.00 175.10 171.33 3lmu s VAL 4 N 0.06 4.10 -0.17 2.04 1.01 -0.84 -1.50 120.40 125.11 3lmu s VAL 4 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3lmu s VAL 4 Cb -0.07 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3lmu s VAL 4 CO 0.00 0.40 -0.04 -0.63 0.00 0.00 0.00 175.10 174.83 3lmu s ILE 5 N 1.22 3.76 -0.14 2.22 1.01 0.68 -1.18 121.20 128.77 3lmu s ILE 5 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3lmu s ILE 5 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.68 3lmu s ILE 5 CO 0.02 0.48 -0.19 -1.10 0.00 0.00 0.00 174.94 174.14 3lmu s GLN 6 N 0.60 2.76 0.13 2.79 -1.52 -0.40 -0.84 119.66 123.18 3lmu s GLN 6 Ca -0.03 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.32 3lmu s GLN 6 Cb -0.14 -2.29 -0.07 0.00 -0.22 0.00 0.00 33.01 30.29 3lmu s GLN 6 CO 0.03 -0.07 1.12 0.50 -0.25 0.00 0.00 175.29 176.62 3lmu s ARG 7 N 0.96 4.54 0.04 2.91 3.52 -0.83 -1.17 118.95 128.92 3lmu s ARG 7 Ca -0.05 1.72 0.01 0.00 -0.13 0.00 0.00 55.73 57.28 3lmu s ARG 7 Cb -0.15 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3lmu s ARG 7 CO -0.04 -0.04 -0.06 0.14 -0.81 0.00 0.00 175.30 174.50 3lmu s VAL 8 N 0.23 0.41 -0.17 7.11 -7.23 0.30 -0.98 120.40 120.07 3lmu s VAL 8 Ca 0.52 -1.22 0.16 0.00 -1.81 0.00 0.00 61.98 59.63 3lmu s VAL 8 Cb -0.29 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 35.93 3lmu s VAL 8 CO 0.33 -0.54 1.28 0.11 -0.31 0.00 0.00 175.10 175.97 3lmu h LYS 9 N 4.20 0.00 0.00 4.82 1.79 -1.06 -1.43 116.57 124.89 3lmu h LYS 9 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 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 0.47 0.40 0.00 0.41 -1.08 0.00 0.00 179.45 179.65 3lmu n GLY 10 N 1.26 0.44 3.33 3.86 0.00 -1.21 -1.70 105.19 111.18 3lmu n GLY 10 Ca -0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.10 -0.23 4.61 0.00 0.07 -0.96 121.76 122.15 3lmu s ALA 11 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3lmu s ALA 11 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.18 3lmu s ALA 11 CO 0.00 -0.29 0.01 0.42 0.00 0.00 0.00 175.76 175.90 3lmu s ILE 12 N -1.18 0.98 -0.16 0.00 1.01 -0.70 -0.72 121.20 120.44 3lmu s ILE 12 Ca -0.12 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 3lmu s ILE 12 Cb -0.04 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3lmu s ILE 12 CO 0.06 -0.26 0.39 -0.22 0.00 0.00 0.00 174.94 174.91 3lmu s LEU 13 N 1.63 4.23 0.24 2.97 0.20 0.19 -2.57 118.68 125.58 3lmu s LEU 13 Ca -0.01 0.62 0.05 0.00 0.69 0.00 0.00 54.13 55.48 3lmu s LEU 13 Cb -0.18 -2.53 -0.05 0.00 -0.43 0.00 0.00 46.19 43.00 3lmu s LEU 13 CO -0.10 0.01 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.49 3lmu s SER 14 N 0.70 2.22 0.00 3.68 0.01 0.03 -1.17 113.70 119.17 3lmu s SER 14 Ca 0.21 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.28 3lmu s SER 14 Cb -0.14 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3lmu s SER 14 CO 0.07 -0.42 0.33 1.33 0.41 0.00 0.00 173.24 174.96 3lmu n VAL 15 N -0.47 0.00 -3.79 3.43 0.24 -1.26 -0.87 118.33 115.62 3lmu n VAL 15 Ca -0.06 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.88 3lmu n VAL 15 Cb 0.63 1.33 -0.13 0.00 -1.47 0.00 0.00 33.84 34.20 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 0.00 3.66 -0.06 1.34 1.43 -1.26 -4.89 118.68 118.89 3lmu s LEU 27 Ca 0.00 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3lmu s LEU 27 Cb 0.00 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 3lmu s LEU 27 CO 0.00 -0.15 -0.21 -0.70 0.23 0.00 0.00 176.35 175.52 3lmu s GLU 28 N 1.50 2.29 0.11 1.70 2.12 -1.26 -5.12 118.70 120.03 3lmu s GLU 28 Ca 0.03 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 3lmu s GLU 28 Cb -0.17 -1.89 -0.06 0.00 0.26 0.00 0.00 34.13 32.27 3lmu s GLU 28 CO 0.01 0.26 1.14 0.42 -0.54 0.00 0.00 175.26 176.55 3lmu s ILE 29 N 0.09 4.02 0.00 -3.70 1.01 -1.26 -4.25 121.20 117.11 3lmu s ILE 29 Ca -0.08 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3lmu s ILE 29 Cb -0.14 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3lmu s ILE 29 CO 0.04 0.19 0.01 2.30 0.00 0.00 0.00 174.94 177.48 3lmu n ILE 30 N 3.24 0.00 -3.64 2.92 -5.35 -0.32 -4.98 119.36 111.23 3lmu n ILE 30 Ca 0.06 -0.38 -0.03 0.00 -0.27 0.00 0.00 62.75 62.13 3lmu n ILE 30 Cb 0.47 1.01 -0.07 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 -0.73 -0.57 -0.13 7.28 0.15 -1.21 -5.00 113.70 113.49 3lmu s SER 31 Ca 0.00 0.92 -0.16 0.00 0.70 0.00 0.00 55.95 57.41 3lmu s SER 31 Cb 0.00 1.23 0.04 0.00 -1.71 0.00 0.00 66.02 65.58 3lmu s SER 31 CO 0.00 -0.14 0.42 -0.70 1.20 0.00 0.00 173.24 174.02 3lmu s GLU 32 N 1.37 0.56 0.03 5.44 2.12 -1.26 0.57 118.70 127.53 3lmu s GLU 32 Ca -0.09 0.46 -0.00 0.00 0.36 0.00 0.00 54.97 55.69 3lmu s GLU 32 Cb -0.04 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 3lmu s GLU 32 CO -0.15 -0.09 -0.03 0.96 -0.54 0.00 0.00 175.26 175.40 3lmu s ILE 33 N -0.09 0.18 0.00 -3.70 -4.36 0.11 -4.99 121.20 108.34 3lmu s ILE 33 Ca -0.03 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 3lmu s ILE 33 Cb -0.03 -0.70 0.00 0.00 1.25 0.00 0.00 42.46 42.97 3lmu s ILE 33 CO 0.02 -0.66 0.00 2.29 0.24 0.00 0.00 174.94 176.83 3lmu n LYS 34 N 1.09 1.37 -1.74 0.37 -0.00 -1.26 -0.75 118.16 117.24 3lmu n LYS 34 Ca -0.21 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.72 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 2.56 0.00 -5.58 4.13 -0.69 -3.29 115.26 112.40 3lmu n ASN 35 Ca 0.00 0.94 0.00 0.00 1.68 0.00 0.00 54.58 57.20 3lmu n ASN 35 Cb 0.00 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.66 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 0.79 0.25 3.59 7.41 0.00 -0.54 -2.18 105.19 114.51 3lmu n GLY 36 Ca 0.12 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 3.11 -0.17 0.99 1.43 -0.44 -0.54 118.68 123.05 3lmu s LEU 37 Ca 0.00 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3lmu s LEU 37 Cb 0.00 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3lmu s LEU 37 CO 0.00 0.21 -0.11 -0.51 0.23 0.00 0.00 176.35 176.17 3lmu s ILE 38 N -1.16 3.01 -0.26 -0.59 2.07 -0.32 -0.87 121.20 123.08 3lmu s ILE 38 Ca 0.21 -0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 58.79 3lmu s ILE 38 Cb -0.11 -2.31 0.03 0.00 0.13 0.00 0.00 42.46 40.20 3lmu s ILE 38 CO 0.13 0.49 -0.05 0.00 -1.91 0.00 0.00 174.94 173.59 3lmu s PHE 40 N 1.29 3.02 -0.25 0.00 0.08 -0.32 -1.32 117.98 120.50 3lmu s PHE 40 Ca -0.02 0.38 -0.09 0.00 0.12 0.00 0.00 56.93 57.33 3lmu s PHE 40 Cb -0.18 -3.64 -0.04 0.00 -0.57 0.00 0.00 43.02 38.60 3lmu s PHE 40 CO -0.04 -0.91 0.11 -1.17 -0.10 0.00 0.00 175.22 173.11 3lmu s LEU 41 N 3.34 3.72 -0.35 -0.37 2.96 0.28 -1.98 118.68 126.28 3lmu s LEU 41 Ca 0.32 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 3lmu s LEU 41 Cb -0.12 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.60 3lmu s LEU 41 CO 0.21 0.00 0.15 -0.83 -1.32 0.00 0.00 176.35 174.57 3lmu s GLY 42 N 1.40 1.88 -0.22 7.98 0.00 0.13 0.57 107.32 119.05 3lmu s GLY 42 Ca 0.06 -1.69 -0.22 0.00 0.00 0.00 0.00 44.72 42.87 3lmu s GLY 42 CO 0.05 0.79 0.72 -0.42 0.00 0.00 0.00 173.10 174.24 3lmu s ILE 43 N 1.49 4.94 0.27 0.90 -1.09 -1.26 -1.00 121.20 125.45 3lmu s ILE 43 Ca 0.01 1.35 -0.15 0.00 -2.23 0.00 0.00 60.65 59.62 3lmu s ILE 43 Cb -0.19 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.59 3lmu s ILE 43 CO 0.05 0.02 0.69 -2.28 -1.23 0.00 0.00 174.94 172.20 3lmu s HIS 44 N 2.36 3.47 0.20 3.97 2.46 -1.26 -2.09 115.29 124.40 3lmu s HIS 44 Ca 0.31 1.21 -0.11 0.00 0.47 0.00 0.00 55.06 56.95 3lmu s HIS 44 Cb -0.16 -2.51 0.24 0.00 -0.13 0.00 0.00 32.58 30.02 3lmu s HIS 44 CO 0.09 0.21 1.75 1.57 -2.47 0.00 0.00 174.74 175.89 3lmu h LYS 45 N 2.71 0.41 -1.02 2.88 -0.00 -1.31 -0.87 116.57 119.38 3lmu h LYS 45 Ca -0.48 -0.02 -0.22 0.00 -0.00 0.00 0.00 60.65 59.92 3lmu h LYS 45 Cb 1.18 -0.09 -0.13 0.00 -0.00 0.00 0.00 32.23 33.19 3lmu h LYS 45 CO 0.66 0.27 0.28 0.09 -0.00 0.00 0.00 179.45 180.75 3lmu n ASN 46 N -4.97 3.40 -4.74 7.07 3.02 -1.26 -4.86 115.26 112.92 3lmu n ASN 46 Ca 0.07 -2.69 -0.41 0.00 -0.03 0.00 0.00 54.58 51.52 3lmu n ASN 46 Cb 0.24 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 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 0.03 7.40 0.38 6.41 1.11 -0.33 -5.01 116.67 126.67 3lmu s ASP 47 Ca 0.24 2.02 0.07 0.00 0.18 0.00 0.00 52.55 55.07 3lmu s ASP 47 Cb 0.20 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.58 3lmu s ASP 47 CO 0.05 -0.09 0.44 0.42 1.18 0.00 0.00 175.17 177.16 3lmu s THR 48 N -0.52 3.24 -0.44 -1.27 -4.23 -1.26 -5.01 115.64 106.14 3lmu s THR 48 Ca 0.46 -1.17 0.26 0.00 -1.18 0.00 0.00 61.69 60.06 3lmu s THR 48 Cb -0.28 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.72 3lmu s THR 48 CO 0.34 -0.07 1.76 -0.25 -0.54 0.00 0.00 174.62 175.87 3lmu h TRP 49 N 0.92 0.00 -0.14 3.99 2.91 -2.00 -2.15 115.95 119.48 3lmu h TRP 49 Ca -0.43 0.00 -0.15 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 0.46 0.00 -0.56 0.93 -1.03 0.00 0.00 178.44 178.24 3lmu h GLU 50 N 0.00 0.44 -0.09 2.65 4.39 -1.99 -1.75 114.58 118.23 3lmu h GLU 50 Ca 0.00 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.43 3lmu h GLU 50 Cb 0.49 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3lmu h GLU 50 CO 0.00 0.88 0.02 -0.44 -1.16 0.00 0.00 179.01 178.31 3lmu h ASP 51 N 0.34 0.01 -0.30 1.42 3.32 -1.79 -1.75 116.42 117.66 3lmu h ASP 51 Ca 0.00 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3lmu h ASP 51 Cb 1.08 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 3lmu h ASP 51 CO 0.10 0.02 0.01 0.00 -1.72 0.00 0.00 179.24 177.65 3lmu h ALA 52 N 1.06 0.28 -0.46 3.45 0.00 -1.41 -2.76 119.26 119.43 3lmu h ALA 52 Ca 0.04 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3lmu h ALA 52 Cb 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3lmu h ALA 52 CO -0.05 -0.40 0.18 -0.07 0.00 0.00 0.00 179.25 178.91 3lmu h LEU 53 N 0.10 0.21 -0.21 0.00 3.38 -1.09 -1.35 115.31 116.36 3lmu h LEU 53 Ca 0.15 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3lmu h LEU 53 Cb 0.19 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3lmu h LEU 53 CO -0.23 0.15 -0.07 0.22 0.09 0.00 0.00 178.44 178.59 3lmu h TYR 54 N 0.36 -0.17 0.13 1.13 3.20 -1.04 0.12 116.97 120.71 3lmu h TYR 54 Ca 0.21 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3lmu h TYR 54 Cb 0.19 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 3lmu h TYR 54 CO -0.14 -0.12 -0.40 0.82 -1.64 0.00 0.00 178.16 176.68 3lmu h ILE 55 N -0.04 0.19 -0.40 1.81 1.08 -1.22 -0.03 117.51 118.91 3lmu h ILE 55 Ca 0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.65 3lmu h ILE 55 Cb 0.20 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 34.07 3lmu h ILE 55 CO -0.23 0.00 -0.07 0.40 -0.69 0.00 0.00 178.15 177.55 3lmu h ILE 56 N -0.64 0.62 -0.16 -0.67 2.04 -0.70 0.32 117.51 118.32 3lmu h ILE 56 Ca 0.02 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3lmu h ILE 56 Cb 0.66 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3lmu h ILE 56 CO -0.22 0.00 -0.17 0.03 0.00 0.00 0.00 178.15 177.79 3lmu h ARG 57 N 0.02 -0.20 0.58 2.37 2.47 -0.54 -2.27 114.38 116.82 3lmu h ARG 57 Ca 0.19 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 3lmu h ARG 57 Cb 0.29 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3lmu h ARG 57 CO -0.39 -0.13 -0.28 0.87 0.56 0.00 0.00 179.97 180.60 3lmu h LYS 58 N -0.20 -0.75 -0.97 0.04 1.79 0.51 -2.71 116.57 114.28 3lmu h LYS 58 Ca 0.11 0.05 0.33 0.00 -2.18 0.00 0.00 60.65 58.96 3lmu h LYS 58 Cb 0.36 0.17 -0.17 0.00 -1.58 0.00 0.00 32.23 31.01 3lmu h LYS 58 CO -0.28 -0.50 0.36 0.00 -1.08 0.00 0.00 179.45 177.95 3lmu n LEU 60 N -5.27 0.10 0.00 0.00 4.77 -0.86 -4.20 117.00 111.54 3lmu n LEU 60 Ca 0.30 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3lmu n LEU 60 Cb 0.98 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3lmu n LEU 60 CO 0.02 0.02 0.00 0.59 -1.33 0.00 0.00 177.39 176.69 3lmu n ASN 61 N -0.76 0.00 -4.65 -1.43 4.13 0.24 -4.19 115.26 108.60 3lmu n ASN 61 Ca 0.16 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.98 3lmu n ASN 61 Cb 0.09 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.29 3lmu n ASN 61 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3lmu n LEU 62 N 0.00 3.84 -4.53 3.41 4.77 0.21 -4.79 117.00 119.91 3lmu n LEU 62 Ca 0.00 0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 56.37 3lmu n LEU 62 Cb 0.00 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 3lmu n LEU 62 CO 0.00 -0.00 1.35 -0.13 -1.33 0.00 0.00 177.39 177.28 3lmu s ARG 63 N 4.70 3.61 0.00 3.23 0.52 -1.26 -4.17 118.95 125.59 3lmu s ARG 63 Ca 0.92 -1.36 0.11 0.00 -0.52 0.00 0.00 55.73 54.88 3lmu s ARG 63 Cb -0.49 -5.23 0.13 0.00 0.52 0.00 0.00 34.95 29.88 3lmu s ARG 63 CO 0.44 -2.08 0.92 1.28 0.02 0.00 0.00 175.30 175.88 3lmu n LEU 64 N 8.13 2.09 -4.61 2.53 4.77 -1.15 -3.83 117.00 124.93 3lmu n LEU 64 Ca 0.31 -1.19 -0.34 0.00 -0.03 0.00 0.00 56.01 54.76 3lmu n LEU 64 Cb 0.50 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3lmu n LEU 64 CO 0.62 0.43 -0.32 0.26 -1.33 0.00 0.00 177.39 177.05 3lmu s TRP 65 N -0.92 3.12 1.37 -1.77 0.51 -0.89 -4.83 118.94 115.52 3lmu s TRP 65 Ca 0.14 0.02 -0.22 0.00 -2.12 0.00 0.00 56.10 53.92 3lmu s TRP 65 Cb 0.09 -1.87 0.35 0.00 -0.81 0.00 0.00 33.47 31.23 3lmu s TRP 65 CO 0.14 0.26 0.99 -0.80 -0.51 0.00 0.00 176.95 177.04 3lmu s ASN 66 N -0.33 -0.53 0.00 2.95 0.01 -1.26 -0.76 114.94 115.02 3lmu s ASN 66 Ca 0.06 0.71 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 3lmu s ASN 66 Cb -0.12 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.56 3lmu s ASN 66 CO 0.02 -5.02 0.00 -3.20 -1.51 0.00 0.00 177.10 167.39 3lmu n ASN 67 N -5.38 0.00 -4.46 -1.22 2.85 -0.85 -4.52 115.26 101.69 3lmu n ASN 67 Ca 0.14 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.33 3lmu n ASN 67 Cb 0.60 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.89 3lmu n ASN 67 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3lmu s ASP 68 N 1.76 0.62 0.00 1.20 1.11 -1.26 -4.65 116.67 115.45 3lmu s ASP 68 Ca 0.00 1.51 0.00 0.00 0.18 0.00 0.00 52.55 54.24 3lmu s ASP 68 Cb 0.00 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.66 3lmu s ASP 68 CO 0.00 -4.42 0.00 -0.46 1.18 0.00 0.00 175.17 171.47 3lmu n ASN 69 N -5.07 0.00 -4.70 0.27 6.94 -1.26 -4.42 115.26 107.02 3lmu n ASN 69 Ca 0.02 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.21 3lmu n ASN 69 Cb 0.54 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.88 3lmu n ASN 69 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3lmu s LYS 70 N -0.45 4.18 0.25 -3.83 3.01 -1.26 -5.11 119.74 116.53 3lmu s LYS 70 Ca 0.00 -0.01 0.07 0.00 -1.01 0.00 0.00 55.97 55.02 3lmu s LYS 70 Cb 0.00 -3.48 -0.04 0.00 -1.01 0.00 0.00 37.83 33.30 3lmu s LYS 70 CO 0.00 0.13 0.22 0.95 0.51 0.00 0.00 175.35 177.16 3lmu s THR 71 N 0.81 4.57 -1.21 2.17 -4.23 -1.26 -2.00 115.64 114.49 3lmu s THR 71 Ca 0.14 -1.33 -0.34 0.00 -1.18 0.00 0.00 61.69 58.99 3lmu s THR 71 Cb -0.13 -3.47 0.04 0.00 1.34 0.00 0.00 72.50 70.28 3lmu s THR 71 CO 0.04 -0.34 0.69 0.79 -0.54 0.00 0.00 174.62 175.26 3lmu n TRP 72 N -1.17 -1.43 -0.00 3.99 7.02 -1.26 -4.93 117.44 119.66 3lmu n TRP 72 Ca -0.08 0.10 -0.01 0.00 -1.02 0.00 0.00 57.50 56.49 3lmu n TRP 72 Cb 0.58 -2.84 -0.00 0.00 -2.42 0.00 0.00 31.31 26.63 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 -2.20 0.45 -4.86 -0.99 2.03 0.06 -4.80 116.55 106.24 3lmu n ASP 73 Ca -0.11 0.07 -0.37 0.00 0.52 0.00 0.00 54.79 54.90 3lmu n ASP 73 Cb 0.57 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.61 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 -1.42 3.69 0.52 -0.67 -0.14 -0.43 -4.76 119.74 116.53 3lmu s LYS 74 Ca -0.04 0.13 0.08 0.00 -1.36 0.00 0.00 55.97 54.78 3lmu s LYS 74 Cb 0.01 -3.17 0.08 0.00 -1.68 0.00 0.00 37.83 33.07 3lmu s LYS 74 CO 0.05 0.70 0.66 0.27 -0.76 0.00 0.00 175.35 176.28 3lmu n ASN 75 N 1.67 2.03 -0.06 2.83 0.23 -1.26 -2.10 115.26 118.61 3lmu n ASN 75 Ca -0.15 -2.45 -0.10 0.00 -0.53 0.00 0.00 54.58 51.35 3lmu n ASN 75 Cb 0.53 -0.32 -0.03 0.00 -2.08 0.00 0.00 39.78 37.88 3lmu n ASN 75 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3lmu h VAL 76 N 0.19 1.10 -0.25 3.53 3.04 -1.78 -1.45 116.25 120.64 3lmu h VAL 76 Ca -0.26 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3lmu h VAL 76 Cb 1.13 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 3lmu h VAL 76 CO 0.38 0.09 0.16 0.11 -1.01 0.00 0.00 177.57 177.30 3lmu h LYS 77 N 0.27 0.33 -0.94 4.17 1.57 -1.87 -2.09 116.57 118.00 3lmu h LYS 77 Ca 0.08 -0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.04 3lmu h LYS 77 Cb 0.04 -0.07 -0.18 0.00 0.08 0.00 0.00 32.23 32.10 3lmu h LYS 77 CO -0.01 0.23 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.48 3lmu h ASP 78 N 0.33 -0.78 -0.49 0.86 3.32 -1.63 0.13 116.42 118.16 3lmu h ASP 78 Ca 0.09 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3lmu h ASP 78 Cb -0.02 0.56 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3lmu h ASP 78 CO -0.02 -0.31 0.00 0.18 -1.72 0.00 0.00 179.24 177.37 3lmu n LEU 79 N -5.57 4.49 -4.11 1.55 4.77 -0.91 -4.93 117.00 112.30 3lmu n LEU 79 Ca 0.16 -2.27 -0.37 0.00 -0.03 0.00 0.00 56.01 53.50 3lmu n LEU 79 Cb 0.52 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3lmu n LEU 79 CO -0.08 0.60 -0.28 0.59 -1.33 0.00 0.00 177.39 176.89 3lmu n ASN 80 N 0.65 -1.67 -4.99 -1.43 3.02 0.46 -4.97 115.26 106.33 3lmu n ASN 80 Ca 0.22 -1.19 -0.20 0.00 -0.03 0.00 0.00 54.58 53.38 3lmu n ASN 80 Cb 0.91 -1.45 0.02 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.93 2.12 0.26 3.10 2.02 -0.80 -5.05 117.35 115.07 3lmu s TYR 81 Ca 0.25 -0.59 0.06 0.00 -0.37 0.00 0.00 57.07 56.42 3lmu s TYR 81 Cb -0.14 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.16 3lmu s TYR 81 CO 0.90 -0.67 0.30 -1.21 -1.57 0.00 0.00 175.55 173.31 3lmu s GLU 82 N -4.43 3.15 0.03 -0.62 2.02 -0.93 -4.78 118.70 113.15 3lmu s GLU 82 Ca 0.54 -0.94 0.08 0.00 0.02 0.00 0.00 54.97 54.67 3lmu s GLU 82 Cb -0.06 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 3lmu s GLU 82 CO 0.33 0.36 -0.22 -0.51 0.02 0.00 0.00 175.26 175.24 3lmu s LEU 83 N -3.95 2.15 -0.21 1.80 1.02 -0.72 -1.33 118.68 117.44 3lmu s LEU 83 Ca 0.35 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 3lmu s LEU 83 Cb -0.08 -1.05 0.02 0.00 0.02 0.00 0.00 46.19 45.10 3lmu s LEU 83 CO 0.27 0.19 -0.12 -0.22 0.02 0.00 0.00 176.35 176.49 3lmu s LEU 84 N -1.08 2.67 -0.22 1.79 2.96 -0.05 -1.70 118.68 123.05 3lmu s LEU 84 Ca 0.08 -0.70 -0.08 0.00 -0.22 0.00 0.00 54.13 53.22 3lmu s LEU 84 Cb -0.09 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3lmu s LEU 84 CO 0.01 -0.05 0.08 -0.63 -1.32 0.00 0.00 176.35 174.44 3lmu s ILE 85 N 1.33 4.61 -0.12 6.68 -1.09 0.29 -0.53 121.20 132.37 3lmu s ILE 85 Ca 0.03 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.38 3lmu s ILE 85 Cb -0.15 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 3lmu s ILE 85 CO -0.08 0.39 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.20 3lmu s VAL 86 N 1.04 1.38 0.16 2.92 1.01 -0.43 -3.39 120.40 123.09 3lmu s VAL 86 Ca 0.04 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 3lmu s VAL 86 Cb -0.14 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 3lmu s VAL 86 CO 0.03 0.42 1.49 -0.55 0.00 0.00 0.00 175.10 176.50 3lmu s SER 87 N 1.31 6.67 -0.31 3.32 0.15 -1.26 -0.56 113.70 123.03 3lmu s SER 87 Ca -0.00 2.53 -0.01 0.00 0.70 0.00 0.00 55.95 59.17 3lmu s SER 87 Cb -0.14 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.71 3lmu s SER 87 CO -0.06 -0.75 0.26 -1.58 1.20 0.00 0.00 173.24 172.31 3lmu s GLN 88 N 0.90 0.36 0.21 5.44 2.00 0.19 -4.82 119.66 123.94 3lmu s GLN 88 Ca 0.67 -0.44 0.26 0.00 -2.00 0.00 0.00 55.36 53.85 3lmu s GLN 88 Cb -0.41 -0.83 0.85 0.00 0.80 0.00 0.00 33.01 33.41 3lmu s GLN 88 CO 0.33 -1.07 1.77 1.97 -0.50 0.00 0.00 175.29 177.79 3lmu n PHE 89 N 5.03 0.88 0.38 1.67 1.16 -1.26 -3.32 117.46 122.01 3lmu n PHE 89 Ca 0.00 0.27 0.05 0.00 -1.87 0.00 0.00 57.45 55.90 3lmu n PHE 89 Cb 0.44 -0.94 0.23 0.00 -1.61 0.00 0.00 39.48 37.60 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 -2.23 1.17 0.22 1.97 -2.24 -1.26 -0.79 114.28 111.11 3lmu n THR 90 Ca 0.05 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.21 3lmu n THR 90 Cb 0.40 -1.12 0.47 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 -2.85 3.22 3.38 -1.95 -0.81 115.31 116.31 3lmu h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lmu h LEU 91 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3lmu h LEU 91 CO 0.00 0.27 0.00 0.49 0.09 0.00 0.00 178.44 179.29 3lmu n PHE 92 N -3.55 1.24 -1.92 1.13 3.72 0.03 -4.91 117.46 113.19 3lmu n PHE 92 Ca -0.01 -0.54 -0.42 0.00 -0.05 0.00 0.00 57.45 56.44 3lmu n PHE 92 Cb 0.41 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.93 1.94 0.03 1.37 0.00 -0.31 -4.45 107.32 104.97 3lmu s GLY 93 Ca 0.49 1.40 -0.02 0.00 0.00 0.00 0.00 44.72 46.59 3lmu s GLY 93 CO 0.28 2.49 0.22 0.21 0.00 0.00 0.00 173.10 176.30 3lmu s ASN 94 N 0.71 6.39 0.00 1.64 3.84 0.11 -4.81 114.94 122.82 3lmu s ASN 94 Ca 0.65 0.36 0.00 0.00 0.21 0.00 0.00 52.86 54.08 3lmu s ASN 94 Cb -0.44 -2.00 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 3lmu s ASN 94 CO 0.39 0.21 0.75 0.35 -2.79 0.00 0.00 177.10 176.01 3lmu n THR 95 N 0.68 0.00 0.09 -5.21 -2.24 -1.26 -2.02 114.28 104.31 3lmu n THR 95 Ca -0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 3lmu n THR 95 Cb 0.52 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.95 -3.43 116.57 111.98 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 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3lmu h LYS 96 CO 0.00 0.85 0.00 1.63 -0.57 0.00 0.00 179.45 181.36 3lmu n LYS 97 N -3.44 0.00 0.00 3.15 5.02 -1.26 -5.03 118.16 116.60 3lmu n LYS 97 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3lmu n LYS 97 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 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 4.57 0.84 0.10 0.72 0.00 -1.26 -5.00 105.19 105.16 3lmu n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -4.31 1.61 4.13 -1.26 -4.95 115.26 110.48 3lmu n ASN 99 Ca 0.00 -1.17 -0.36 0.00 1.68 0.00 0.00 54.58 54.72 3lmu n ASN 99 Cb 0.00 -0.03 -0.13 0.00 -1.54 0.00 0.00 39.78 38.07 3lmu n ASN 99 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3lmu s LYS 100 N 0.00 3.06 1.02 3.52 2.20 -1.26 -5.11 119.74 123.17 3lmu s LYS 100 Ca 0.00 -0.86 -0.20 0.00 -0.36 0.00 0.00 55.97 54.55 3lmu s LYS 100 Cb 0.00 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3lmu s LYS 100 CO 0.00 -0.40 -0.48 -2.30 -0.36 0.00 0.00 175.35 171.81 3lmu n PRO 101 N 4.81 -1.09 -3.74 4.03 -0.02 -1.26 -4.90 135.00 132.84 3lmu n PRO 101 Ca -0.15 -0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 60.88 3lmu n PRO 101 Cb 0.48 -1.37 -0.10 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.52 -0.41 -0.36 2.55 2.15 -0.86 -4.85 116.67 113.37 3lmu s ASP 102 Ca 0.42 0.79 0.13 0.00 0.43 0.00 0.00 52.55 54.33 3lmu s ASP 102 Cb -0.02 0.79 0.45 0.00 -0.30 0.00 0.00 42.92 43.84 3lmu s ASP 102 CO 0.56 -0.14 1.03 0.49 -0.17 0.00 0.00 175.17 176.94 3lmu n PHE 103 N 2.96 2.03 0.04 -5.34 3.72 -1.26 0.04 117.46 119.64 3lmu n PHE 103 Ca -0.14 -2.83 0.01 0.00 -0.05 0.00 0.00 57.45 54.44 3lmu n PHE 103 Cb 0.57 -0.26 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 3lmu n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3lmu n HIS 104 N -0.28 1.00 0.07 1.38 8.25 -1.26 -3.78 115.22 120.60 3lmu n HIS 104 Ca 0.21 0.33 -0.07 0.00 -0.26 0.00 0.00 57.72 57.93 3lmu n HIS 104 Cb 0.77 -1.09 -0.09 0.00 1.12 0.00 0.00 29.99 30.70 3lmu n HIS 104 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3lmu h LEU 105 N 0.00 0.03 -9.43 2.41 4.07 -1.90 -3.47 115.31 107.01 3lmu h LEU 105 Ca -0.15 -0.03 -0.53 0.00 0.08 0.00 0.00 57.88 57.25 3lmu h LEU 105 Cb 1.55 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 43.30 3lmu h LEU 105 CO 0.04 0.98 0.99 0.00 -1.08 0.00 0.00 178.44 179.38 3lmu s ALA 106 N -2.80 3.67 0.17 1.53 0.00 -1.25 -0.95 121.76 122.14 3lmu s ALA 106 Ca 0.00 1.18 -0.34 0.00 0.00 0.00 0.00 51.96 52.80 3lmu s ALA 106 Cb 0.10 -3.69 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 3lmu s ALA 106 CO 0.82 -1.11 1.35 1.63 0.00 0.00 0.00 175.76 178.45 3lmu n LYS 107 N 5.67 1.58 -1.15 0.00 4.01 -0.89 -4.65 118.16 122.72 3lmu n LYS 107 Ca 0.16 0.57 -0.42 0.00 -0.51 0.00 0.00 58.31 58.11 3lmu n LYS 107 Cb 0.41 -2.20 -0.04 0.00 -0.51 0.00 0.00 35.03 32.69 3lmu n LYS 107 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3lmu n GLU 108 N 2.36 0.00 -0.24 1.97 0.00 -1.26 -4.52 120.64 118.95 3lmu n GLU 108 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.32 3lmu n GLU 108 Cb 0.26 -0.95 0.09 0.00 0.00 0.00 0.00 31.44 30.83 3lmu n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3lmu h PRO 109 N 1.41 0.02 0.52 5.31 0.11 -1.98 -0.03 132.00 137.35 3lmu h PRO 109 Ca -0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3lmu h PRO 109 Cb 1.15 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3lmu h PRO 109 CO 0.48 0.01 -0.49 -0.91 -0.21 0.00 0.00 178.00 176.88 3lmu h ASN 110 N 0.02 -1.32 -0.40 -2.05 2.35 -2.01 -1.04 115.58 111.13 3lmu h ASN 110 Ca 0.34 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 56.15 3lmu h ASN 110 Cb 0.53 0.43 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 3lmu h ASN 110 CO -0.70 -0.66 0.07 -0.33 -1.65 0.00 0.00 177.43 174.17 3lmu h GLU 111 N -1.00 0.65 -0.56 0.81 3.07 -1.87 -3.09 114.58 112.59 3lmu h GLU 111 Ca -0.06 -0.17 0.11 0.00 -0.50 0.00 0.00 59.36 58.74 3lmu h GLU 111 Cb 0.86 -0.08 -0.10 0.00 -0.84 0.00 0.00 28.75 28.60 3lmu h GLU 111 CO -0.05 0.69 -0.02 0.00 -1.40 0.00 0.00 179.01 178.24 3lmu h ALA 112 N 0.93 0.52 -0.68 3.43 0.00 -0.91 -2.04 119.26 120.52 3lmu h ALA 112 Ca 0.12 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.33 3lmu h ALA 112 Cb 0.35 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 3lmu h ALA 112 CO 0.01 -0.40 0.22 1.25 0.00 0.00 0.00 179.25 180.33 3lmu h LEU 113 N 0.10 0.16 -0.01 0.00 5.85 -1.10 0.36 115.31 120.67 3lmu h LEU 113 Ca 0.29 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3lmu h LEU 113 Cb 0.45 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3lmu h LEU 113 CO -0.49 0.07 -0.01 0.40 -0.34 0.00 0.00 178.44 178.07 3lmu h ILE 114 N 0.36 1.33 -0.57 4.05 2.04 -1.46 -0.75 117.51 122.52 3lmu h ILE 114 Ca 0.36 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.34 3lmu h ILE 114 Cb 0.53 1.98 -0.10 0.00 -0.74 0.00 0.00 36.82 38.50 3lmu h ILE 114 CO -0.39 0.26 -0.04 0.15 0.00 0.00 0.00 178.15 178.13 3lmu h PHE 115 N -0.38 -0.11 0.35 1.37 3.04 -1.02 0.57 116.94 120.77 3lmu h PHE 115 Ca 0.00 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 3lmu h PHE 115 Cb 0.43 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 3lmu h PHE 115 CO 0.07 -0.17 -0.36 -0.92 -2.02 0.00 0.00 178.31 174.90 3lmu h TYR 116 N 0.08 -0.99 -0.95 0.41 3.20 -0.08 -0.28 116.97 118.36 3lmu h TYR 116 Ca 0.29 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.32 3lmu h TYR 116 Cb 0.46 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 3lmu h TYR 116 CO -0.38 -0.51 0.60 -0.91 -1.64 0.00 0.00 178.16 175.33 3lmu h ASN 117 N -0.74 0.74 -0.31 -2.11 2.35 -0.71 -0.27 115.58 114.52 3lmu h ASN 117 Ca -0.02 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3lmu h ASN 117 Cb 0.68 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3lmu h ASN 117 CO -0.07 0.35 0.19 0.50 -1.65 0.00 0.00 177.43 176.74 3lmu h LYS 118 N 0.77 0.42 -0.05 0.81 3.64 -0.20 -1.16 116.57 120.80 3lmu h LYS 118 Ca 0.50 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.87 3lmu h LYS 118 Cb 0.75 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3lmu h LYS 118 CO -0.26 0.32 -0.17 0.82 -2.27 0.00 0.00 179.45 177.89 3lmu h ILE 119 N 0.40 0.57 -0.89 2.00 2.04 0.30 -1.77 117.51 120.17 3lmu h ILE 119 Ca 0.11 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 3lmu h ILE 119 Cb 0.01 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 3lmu h ILE 119 CO -0.02 0.00 0.57 0.40 0.00 0.00 0.00 178.15 179.10 3lmu h ILE 120 N -0.25 0.91 0.01 -0.67 1.08 -0.83 -0.22 117.51 117.54 3lmu h ILE 120 Ca 0.07 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3lmu h ILE 120 Cb 0.35 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3lmu h ILE 120 CO -0.20 0.15 -0.01 0.44 -0.69 0.00 0.00 178.15 177.84 3lmu h ASP 121 N 0.81 -0.02 -0.45 1.72 3.32 -0.76 -2.58 116.42 118.45 3lmu h ASP 121 Ca 0.43 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.45 3lmu h ASP 121 Cb 0.53 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.01 3lmu h ASP 121 CO -0.19 0.10 0.03 -0.08 -1.72 0.00 0.00 179.24 177.38 3lmu h GLU 122 N -0.13 0.14 -0.69 3.56 4.57 -0.34 -0.63 114.58 121.05 3lmu h GLU 122 Ca -0.00 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 3lmu h GLU 122 Cb 0.13 -0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.57 3lmu h GLU 122 CO 0.00 0.09 0.09 0.74 -1.18 0.00 0.00 179.01 178.76 3lmu h PHE 123 N 0.15 0.12 -0.39 0.92 0.04 -0.86 0.19 116.94 117.10 3lmu h PHE 123 Ca 0.23 0.05 -0.15 0.00 2.80 0.00 0.00 57.97 60.89 3lmu h PHE 123 Cb 0.32 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3lmu h PHE 123 CO -0.27 -0.13 -0.33 0.87 -0.60 0.00 0.00 178.31 177.85 3lmu h LYS 124 N 0.19 0.92 0.46 1.51 1.57 -0.85 0.12 116.57 120.48 3lmu h LYS 124 Ca 0.38 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3lmu h LYS 124 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3lmu h LYS 124 CO -0.54 1.12 -0.45 0.87 -0.57 0.00 0.00 179.45 179.88 3lmu h LYS 125 N 0.74 -0.87 -0.92 3.15 1.79 0.00 -2.40 116.57 118.06 3lmu h LYS 125 Ca 0.07 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.69 3lmu h LYS 125 Cb 0.92 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.70 3lmu h LYS 125 CO 0.09 -0.58 0.59 1.96 -1.08 0.00 0.00 179.45 180.43 3lmu h GLN 126 N -0.91 0.93 0.00 3.15 4.20 -0.62 -3.42 115.11 118.44 3lmu h GLN 126 Ca -0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3lmu h GLN 126 Cb 0.79 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3lmu h GLN 126 CO -0.05 0.61 0.00 0.98 -0.67 0.00 0.00 178.83 179.70 3lmu n TYR 127 N -4.53 0.00 -3.77 2.96 4.19 0.39 -5.09 117.16 111.31 3lmu n TYR 127 Ca 0.15 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.24 3lmu n TYR 127 Cb 0.28 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 39.98 3lmu n TYR 127 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3lmu s ASN 128 N -0.24 -0.17 0.47 2.98 2.47 -0.92 -4.92 114.94 114.61 3lmu s ASN 128 Ca 0.00 0.37 0.28 0.00 0.42 0.00 0.00 52.86 53.93 3lmu s ASN 128 Cb 0.00 0.31 1.34 0.00 -1.45 0.00 0.00 41.25 41.45 3lmu s ASN 128 CO 0.00 -0.12 1.76 -0.78 -3.72 0.00 0.00 177.10 174.25 3lmu h ASP 129 N 6.66 0.23 0.21 -4.21 -0.00 -1.92 -0.50 116.42 116.89 3lmu h ASP 129 Ca -0.35 0.05 0.00 0.00 -0.00 0.00 0.00 57.03 56.73 3lmu h ASP 129 Cb 1.17 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 3lmu h ASP 129 CO 0.40 0.02 -0.23 -0.67 -0.00 0.00 0.00 179.24 178.76 3lmu n ASP 130 N -4.43 1.08 -0.01 2.28 -0.08 -1.26 -4.03 116.55 110.09 3lmu n ASP 130 Ca 0.27 -0.95 0.09 0.00 -1.51 0.00 0.00 54.79 52.69 3lmu n ASP 130 Cb 1.12 0.12 -0.13 0.00 2.34 0.00 0.00 41.12 44.57 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 -0.56 0.66 -3.62 -0.67 4.76 -0.20 -4.91 118.16 113.62 3lmu n LYS 131 Ca 0.13 -0.11 -0.36 0.00 -2.87 0.00 0.00 58.31 55.10 3lmu n LYS 131 Cb 0.35 -1.43 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 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 -3.13 5.35 0.12 -0.18 -1.09 -1.21 -1.75 121.20 119.30 3lmu s ILE 132 Ca -0.02 0.39 0.07 0.00 -2.23 0.00 0.00 60.65 58.86 3lmu s ILE 132 Cb 0.13 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3lmu s ILE 132 CO 0.79 0.42 -0.16 -0.54 -1.23 0.00 0.00 174.94 174.22 3lmu s LYS 133 N 0.38 1.07 0.22 2.79 -0.14 -0.69 -5.00 119.74 118.36 3lmu s LYS 133 Ca 0.13 -1.22 0.03 0.00 -1.36 0.00 0.00 55.97 53.55 3lmu s LYS 133 Cb -0.12 -1.08 -0.01 0.00 -1.68 0.00 0.00 37.83 34.94 3lmu s LYS 133 CO 0.01 0.22 0.12 0.44 -0.76 0.00 0.00 175.35 175.39 3lmu n ILE 134 N 0.70 0.00 -3.11 2.17 -5.35 -1.26 -0.55 119.36 111.96 3lmu n ILE 134 Ca -0.17 -1.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 3lmu n ILE 134 Cb 0.56 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.12 3.04 3.36 3.28 0.00 -1.22 -4.73 105.19 109.04 3lmu n GLY 135 Ca -0.00 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.95 2.96 0.16 1.61 2.20 -1.26 -5.04 119.74 119.41 3lmu s LYS 136 Ca 0.00 -1.45 -0.33 0.00 -0.36 0.00 0.00 55.97 53.84 3lmu s LYS 136 Cb 0.00 -4.16 -0.17 0.00 -1.51 0.00 0.00 37.83 31.99 3lmu s LYS 136 CO 0.00 -1.10 0.98 0.34 -0.36 0.00 0.00 175.35 175.20 3lmu n PHE 137 N 5.20 0.74 -0.44 4.03 7.35 -1.26 -1.59 117.46 131.50 3lmu n PHE 137 Ca -0.13 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.39 3lmu n PHE 137 Cb 0.43 -2.16 0.00 0.00 0.35 0.00 0.00 39.48 38.09 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 1.84 0.61 3.90 7.13 0.00 -1.26 -4.96 105.19 112.45 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 -2.48 6.46 -0.03 1.61 -0.87 -0.62 -5.04 114.94 113.97 3lmu s ASN 139 Ca 0.00 0.81 -0.30 0.00 -1.57 0.00 0.00 52.86 51.80 3lmu s ASN 139 Cb 0.00 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 3lmu s ASN 139 CO 0.00 -0.25 1.31 -0.47 -2.57 0.00 0.00 177.10 175.12 3lmu s TYR 140 N -2.16 3.00 0.31 2.20 5.04 -1.26 -4.91 117.35 119.57 3lmu s TYR 140 Ca 0.46 1.00 0.10 0.00 -2.44 0.00 0.00 57.07 56.18 3lmu s TYR 140 Cb -0.11 -3.55 -0.05 0.00 0.35 0.00 0.00 41.96 38.60 3lmu s TYR 140 CO 0.30 -1.94 -0.05 -1.64 -1.34 0.00 0.00 175.55 170.89 3lmu s MET 141 N 2.32 2.01 -0.18 4.97 -1.94 -1.26 -4.63 119.30 120.59 3lmu s MET 141 Ca 0.60 -1.71 -0.02 0.00 -1.71 0.00 0.00 55.69 52.86 3lmu s MET 141 Cb -0.28 -1.92 0.05 0.00 2.01 0.00 0.00 34.83 34.69 3lmu s MET 141 CO 0.24 0.22 0.00 1.21 -0.01 0.00 0.00 175.02 176.68 3lmu s ASN 142 N -3.65 2.93 -0.18 3.03 2.47 -0.05 -4.96 114.94 114.54 3lmu s ASN 142 Ca 0.33 -0.79 -0.00 0.00 0.42 0.00 0.00 52.86 52.82 3lmu s ASN 142 Cb -0.02 -0.74 0.00 0.00 -1.45 0.00 0.00 41.25 39.05 3lmu s ASN 142 CO 0.18 -0.26 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.53 3lmu s ILE 143 N 1.75 2.64 -0.53 -5.21 1.01 -1.26 -0.79 121.20 118.81 3lmu s ILE 143 Ca -0.01 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 3lmu s ILE 143 Cb -0.17 -2.13 0.12 0.00 0.01 0.00 0.00 42.46 40.29 3lmu s ILE 143 CO -0.07 0.50 0.48 -1.81 0.00 0.00 0.00 174.94 174.04 3lmu s ASP 144 N 1.08 6.18 -0.13 3.58 1.01 -1.06 -4.94 116.67 122.39 3lmu s ASP 144 Ca -0.00 -1.69 -0.07 0.00 0.71 0.00 0.00 52.55 51.50 3lmu s ASP 144 Cb -0.14 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3lmu s ASP 144 CO -0.04 -0.82 0.11 -0.69 0.21 0.00 0.00 175.17 173.94 3lmu s VAL 145 N 1.61 5.27 -0.52 -1.27 1.01 -1.26 -1.72 120.40 123.52 3lmu s VAL 145 Ca 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3lmu s VAL 145 Cb -0.29 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 32.92 3lmu s VAL 145 CO 0.04 0.58 0.36 -0.89 0.00 0.00 0.00 175.10 175.19 3lmu s THR 146 N -0.71 3.87 0.10 3.92 2.01 -0.13 -5.00 115.64 119.71 3lmu s THR 146 Ca 0.13 -2.28 -0.31 0.00 0.31 0.00 0.00 61.69 59.54 3lmu s THR 146 Cb -0.12 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 3lmu s THR 146 CO 0.03 -0.80 1.27 0.20 -0.69 0.00 0.00 174.62 174.62 3lmu s ASN 147 N 1.77 6.99 -0.84 3.53 0.01 -1.26 -0.51 114.94 124.62 3lmu s ASN 147 Ca 0.11 2.16 -0.07 0.00 -0.71 0.00 0.00 52.86 54.35 3lmu s ASN 147 Cb -0.22 -2.59 0.22 0.00 0.41 0.00 0.00 41.25 39.07 3lmu s ASN 147 CO -0.03 -0.52 0.75 -0.62 -1.51 0.00 0.00 177.10 175.17 3lmu s ASP 148 N 0.92 6.29 0.00 -1.22 2.15 -0.15 -4.74 116.67 119.92 3lmu s ASP 148 Ca 0.60 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 50.44 3lmu s ASP 148 Cb -0.33 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3lmu s ASP 148 CO 0.31 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 3lmu n GLY 149 N 3.23 0.02 3.90 2.66 0.00 -1.26 -3.95 105.19 109.79 3lmu n GLY 149 Ca 0.16 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 2.40 -0.19 1.61 0.02 -1.26 -5.16 135.00 132.42 3lmu s PRO 150 Ca 0.00 0.16 -0.01 0.00 0.02 0.00 0.00 61.00 61.17 3lmu s PRO 150 Cb 0.00 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3lmu s PRO 150 CO 0.00 -1.26 -0.02 0.08 -0.33 0.00 0.00 177.00 175.47 3lmu s VAL 151 N -3.40 0.94 -0.15 3.83 1.01 -1.25 -5.04 120.40 116.35 3lmu s VAL 151 Ca 0.60 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3lmu s VAL 151 Cb -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3lmu s VAL 151 CO 0.49 -0.04 -0.18 -0.89 0.00 0.00 0.00 175.10 174.47 3lmu s THR 152 N 1.68 2.39 -0.09 3.92 2.01 -1.26 -1.97 115.64 122.32 3lmu s THR 152 Ca -0.01 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.16 3lmu s THR 152 Cb -0.17 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.36 3lmu s THR 152 CO -0.07 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.54 3lmu s ILE 153 N 0.80 1.87 -0.08 1.82 -1.09 -0.02 -4.95 121.20 119.56 3lmu s ILE 153 Ca -0.06 -0.91 0.02 0.00 -2.23 0.00 0.00 60.65 57.47 3lmu s ILE 153 Cb -0.15 -1.63 -0.02 0.00 -1.58 0.00 0.00 42.46 39.08 3lmu s ILE 153 CO -0.01 0.52 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.60 3lmu s TYR 154 N 0.38 2.72 -0.00 3.97 5.04 -1.26 -0.23 117.35 127.96 3lmu s TYR 154 Ca -0.17 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 3lmu s TYR 154 Cb -0.17 -1.71 -0.01 0.00 0.35 0.00 0.00 41.96 40.42 3lmu s TYR 154 CO 0.08 -0.01 -0.07 0.42 -1.34 0.00 0.00 175.55 174.63 3lmu s ILE 155 N -0.26 0.57 -0.23 3.14 1.01 -0.56 -5.00 121.20 119.87 3lmu s ILE 155 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 3lmu s ILE 155 Cb -0.13 -0.48 0.08 0.00 0.01 0.00 0.00 42.46 41.93 3lmu s ILE 155 CO 0.03 0.15 0.08 -0.62 0.00 0.00 0.00 174.94 174.58 3lmu s ASP 156 N -0.20 3.16 0.00 3.58 2.15 -1.26 -1.08 116.67 123.01 3lmu s ASP 156 Ca 0.03 -1.05 0.07 0.00 0.43 0.00 0.00 52.55 52.03 3lmu s ASP 156 Cb -0.03 -0.51 0.30 0.00 -0.30 0.00 0.00 42.92 42.38 3lmu s ASP 156 CO -0.00 -0.37 1.22 0.35 -0.17 0.00 0.00 175.17 176.20 3lmu n THR 157 N 5.11 1.50 1.33 1.71 -2.24 -0.60 -1.15 114.28 119.95 3lmu n THR 157 Ca -0.06 0.38 0.01 0.00 -2.27 0.00 0.00 64.05 62.10 3lmu n THR 157 Cb 0.45 -1.25 0.05 0.00 -2.10 0.00 0.00 70.33 67.48 3lmu n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lmu n HIS 158 N -1.50 0.19 0.34 4.78 8.25 -1.26 -4.88 115.22 121.14 3lmu n HIS 158 Ca 0.02 -0.08 0.04 0.00 -0.26 0.00 0.00 57.72 57.44 3lmu n HIS 158 Cb 0.08 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.17 3lmu n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73