#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lms h PHE 10 N 0.00 -0.08 -0.31 -1.77 3.57 -1.92 0.18 116.94 116.62 1lms h PHE 10 Ca 0.00 0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.68 1lms h PHE 10 Cb 0.00 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1lms h PHE 10 CO 0.00 -0.33 0.12 1.63 -2.23 0.00 0.00 178.31 177.51 1lms n LYS 11 N -5.42 -0.02 0.00 1.11 4.76 -1.26 -1.37 118.16 115.96 1lms n LYS 11 Ca 0.18 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1lms n LYS 11 Cb 0.59 -0.75 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 1lms n LYS 11 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1lms n THR 12 N -3.83 0.00 0.01 -0.18 -2.24 0.19 -4.55 114.28 103.68 1lms n THR 12 Ca 0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1lms n THR 12 Cb 0.35 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 1lms n THR 12 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1lms h ARG 13 N 0.00 -0.28 -0.85 -0.78 -0.00 -0.64 -3.40 114.38 108.44 1lms h ARG 13 Ca 0.00 0.02 -0.34 0.00 -0.50 0.00 0.00 59.98 59.16 1lms h ARG 13 Cb 0.63 0.06 -0.34 0.00 0.00 0.00 0.00 29.97 30.32 1lms h ARG 13 CO 0.00 -0.18 -0.99 0.00 0.00 0.00 0.00 179.97 178.79 1lms n LEU 15 N -0.13 2.34 -0.20 0.00 -0.00 -0.75 -4.19 117.00 114.06 1lms n LEU 15 Ca 0.08 -0.09 -0.06 0.00 -0.00 0.00 0.00 56.01 55.93 1lms n LEU 15 Cb 0.81 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 1lms n LEU 15 CO 0.18 0.76 0.61 1.56 -0.00 0.00 0.00 177.39 180.50 1lms h GLN 16 N 0.00 -0.18 0.00 1.96 7.50 -1.86 -3.14 115.11 119.38 1lms h GLN 16 Ca -0.47 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.69 1lms h GLN 16 Cb 1.80 0.04 0.00 0.00 0.05 0.00 0.00 27.48 29.37 1lms h GLN 16 CO -0.05 -0.12 -0.01 0.00 -1.50 0.00 0.00 178.83 177.15 1lms n HIS 18 N -2.21 -1.15 -3.74 0.00 8.25 -1.19 -0.81 115.22 114.36 1lms n HIS 18 Ca -0.00 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1lms n HIS 18 Cb 0.00 -1.71 0.00 0.00 1.12 0.00 0.00 29.99 29.40 1lms n HIS 18 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1lms n THR 19 N -4.20 0.00 0.00 1.59 5.66 -0.92 -4.68 114.28 111.73 1lms n THR 19 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1lms n THR 19 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1lms n THR 19 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1lms n VAL 20 N 0.00 0.00 -4.50 1.08 3.14 -1.26 -2.99 118.33 113.80 1lms n VAL 20 Ca 0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 1lms n VAL 20 Cb 0.00 -0.13 -0.09 0.00 -1.06 0.00 0.00 33.84 32.56 1lms n VAL 20 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1lms s GLU 21 N -1.18 1.84 0.06 1.45 2.12 -1.26 -4.35 118.70 117.38 1lms s GLU 21 Ca 0.00 -2.10 0.00 0.00 0.36 0.00 0.00 54.97 53.23 1lms s GLU 21 Cb 0.00 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.70 1lms s GLU 21 CO 0.00 -0.39 0.00 1.63 -0.54 0.00 0.00 175.26 175.96 1lms n LYS 22 N -0.84 -2.76 0.00 4.30 5.02 -1.26 -4.51 118.16 118.11 1lms n LYS 22 Ca -0.05 2.22 0.00 0.00 -2.02 0.00 0.00 58.31 58.46 1lms n LYS 22 Cb 0.65 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1lms n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lms n GLY 23 N 0.95 1.14 4.39 0.72 0.00 -1.26 -4.68 105.19 106.46 1lms n GLY 23 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1lms n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lms n GLY 24 N 0.00 -0.23 0.33 -0.02 0.00 -1.26 -4.83 105.19 99.17 1lms n GLY 24 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1lms n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lms h PRO 25 N -1.38 0.86 0.00 1.61 0.13 -1.98 -3.48 132.00 127.76 1lms h PRO 25 Ca -0.63 -0.07 -0.52 0.00 -0.87 0.00 0.00 66.00 63.90 1lms h PRO 25 Cb 1.38 -0.18 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1lms h PRO 25 CO 0.78 0.61 -0.43 1.58 -0.23 0.00 0.00 178.00 180.31 1lms n HIS 26 N -4.41 0.32 0.00 1.56 -0.00 -1.26 -5.06 115.22 106.38 1lms n HIS 26 Ca 0.06 -2.36 0.00 0.00 0.46 0.00 0.00 57.72 55.89 1lms n HIS 26 Cb 0.07 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1lms n HIS 26 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1lms n LYS 27 N -0.90 0.00 0.00 1.57 5.02 -1.26 -4.88 118.16 117.71 1lms n LYS 27 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1lms n LYS 27 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1lms n LYS 27 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1lms n VAL 28 N 0.00 0.00 -3.03 -0.18 0.24 -1.26 -4.92 118.33 109.18 1lms n VAL 28 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1lms n VAL 28 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1lms n VAL 28 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lms s GLY 29 N 0.00 1.77 0.80 7.63 0.00 0.01 -4.92 107.32 112.62 1lms s GLY 29 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 1lms s GLY 29 CO 0.00 1.59 1.10 2.56 0.00 0.00 0.00 173.10 178.35 1lms s PRO 30 N 2.68 2.04 0.47 2.90 0.04 -1.26 -2.16 135.00 139.72 1lms s PRO 30 Ca 0.29 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.69 1lms s PRO 30 Cb -0.15 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1lms s PRO 30 CO 0.09 -1.64 1.11 0.54 0.04 0.00 0.00 177.00 177.15 1lms s ASN 31 N -3.96 6.23 0.03 6.66 2.20 -1.26 -3.95 114.94 120.89 1lms s ASN 31 Ca 0.61 2.16 -0.06 0.00 -0.94 0.00 0.00 52.86 54.62 1lms s ASN 31 Cb -0.14 -2.59 -0.30 0.00 -2.00 0.00 0.00 41.25 36.22 1lms s ASN 31 CO 0.54 -0.87 0.98 -0.07 -2.94 0.00 0.00 177.10 174.74 1lms h LEU 32 N 1.88 0.51 0.00 3.54 3.38 -1.83 -3.45 115.31 119.33 1lms h LEU 32 Ca -0.49 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 56.87 1lms h LEU 32 Cb 1.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1lms h LEU 32 CO 0.60 1.49 0.00 1.57 0.09 0.00 0.00 178.44 182.18 1lms n HIS 33 N -3.54 0.00 0.00 1.13 -0.00 -1.26 -4.60 115.22 106.95 1lms n HIS 33 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1lms n HIS 33 Cb 1.05 -0.48 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1lms n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1lms n GLY 34 N -1.11 0.91 1.81 1.57 0.00 -1.26 -4.49 105.19 102.60 1lms n GLY 34 Ca 0.00 0.55 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 1lms n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lms n ILE 35 N 0.00 2.86 -3.50 -0.61 5.41 -1.26 -4.50 119.36 117.75 1lms n ILE 35 Ca 0.00 -3.27 -0.27 0.00 1.00 0.00 0.00 62.75 60.21 1lms n ILE 35 Cb 0.00 -0.82 -0.11 0.00 -0.71 0.00 0.00 39.64 38.01 1lms n ILE 35 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1lms s PHE 36 N -3.52 1.58 0.00 1.39 0.08 -1.21 -4.21 117.98 112.09 1lms s PHE 36 Ca 0.53 -2.51 0.00 0.00 0.12 0.00 0.00 56.93 55.07 1lms s PHE 36 Cb 0.44 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1lms s PHE 36 CO 0.01 -0.77 0.00 0.41 -0.10 0.00 0.00 175.22 174.77 1lms n GLY 37 N 2.73 0.98 3.92 4.36 0.00 0.53 -4.96 105.19 112.75 1lms n GLY 37 Ca 0.27 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1lms n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lms s ARG 38 N -3.03 3.56 -0.20 1.61 6.06 -0.53 -4.95 118.95 121.47 1lms s ARG 38 Ca 0.00 -0.19 0.01 0.00 -2.50 0.00 0.00 55.73 53.05 1lms s ARG 38 Cb 0.00 -2.70 0.04 0.00 0.06 0.00 0.00 34.95 32.35 1lms s ARG 38 CO 0.00 0.25 -0.10 -1.01 -2.50 0.00 0.00 175.30 171.94 1lms s HIS 39 N -2.10 2.45 0.22 5.12 3.76 -1.26 -0.14 115.29 123.34 1lms s HIS 39 Ca 0.41 -1.64 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1lms s HIS 39 Cb -0.10 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1lms s HIS 39 CO 0.32 -0.75 0.00 -1.13 -0.85 0.00 0.00 174.74 172.32 1lms n SER 40 N 4.67 -6.58 -4.55 1.40 3.41 0.67 -3.99 113.62 108.65 1lms n SER 40 Ca -0.14 1.03 -0.17 0.00 -0.26 0.00 0.00 58.87 59.33 1lms n SER 40 Cb 0.46 -2.98 -0.08 0.00 -0.26 0.00 0.00 64.21 61.34 1lms n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lms n GLY 41 N -2.89 -0.16 2.80 5.00 0.00 -1.26 -4.89 105.19 103.80 1lms n GLY 41 Ca 0.01 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 1lms n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lms s GLN 42 N 8.69 0.97 0.00 1.61 0.74 -1.26 -4.64 119.66 125.77 1lms s GLN 42 Ca 0.98 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 55.75 1lms s GLN 42 Cb -0.22 -2.27 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1lms s GLN 42 CO 0.15 -0.65 0.00 0.00 -0.55 0.00 0.00 175.29 174.25 1lms n ALA 43 N 4.91 0.00 0.38 1.58 0.00 -1.26 -4.98 120.51 121.14 1lms n ALA 43 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1lms n ALA 43 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 1lms n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1lms n GLU 44 N 0.00 0.19 -0.69 0.00 2.13 -1.26 -4.65 120.64 116.36 1lms n GLU 44 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1lms n GLU 44 Cb 0.00 -1.03 0.17 0.00 0.27 0.00 0.00 31.44 30.85 1lms n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lms n GLY 45 N -0.33 -1.78 0.02 8.31 0.00 -1.26 -4.96 105.19 105.18 1lms n GLY 45 Ca 0.00 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.26 1lms n GLY 45 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1lms n TYR 46 N -4.17 0.00 -0.01 1.61 4.11 -1.26 -4.91 117.16 112.54 1lms n TYR 46 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.06 1lms n TYR 46 Cb 0.55 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.73 1lms n TYR 46 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1lms n SER 47 N -1.22 0.05 0.00 9.48 2.88 -1.26 -3.35 113.62 120.19 1lms n SER 47 Ca 0.02 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1lms n SER 47 Cb 0.19 1.89 0.00 0.00 -0.75 0.00 0.00 64.21 65.54 1lms n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1lms n TYR 48 N -2.29 0.00 0.00 0.66 4.01 -1.26 -4.56 117.16 113.72 1lms n TYR 48 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1lms n TYR 48 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1lms n TYR 48 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1lms n THR 49 N -0.58 0.00 -2.57 -0.72 -2.24 -1.21 -2.99 114.28 103.97 1lms n THR 49 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1lms n THR 49 Cb 0.00 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1lms n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1lms n ASP 50 N 0.00 -0.51 0.00 3.42 -0.08 -1.26 -5.13 116.55 112.98 1lms n ASP 50 Ca 0.00 -1.28 0.00 0.00 -1.51 0.00 0.00 54.79 52.00 1lms n ASP 50 Cb 0.00 0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1lms n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1lms n ALA 51 N -0.27 0.00 -0.33 -1.67 0.00 -1.16 -5.05 120.51 112.02 1lms n ALA 51 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1lms n ALA 51 Cb 0.57 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.27 1lms n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1lms n ASN 52 N 0.00 -0.16 -0.29 0.00 4.05 -1.26 -0.14 115.26 117.46 1lms n ASN 52 Ca 0.00 1.63 -0.03 0.00 0.45 0.00 0.00 54.58 56.63 1lms n ASN 52 Cb 0.00 -0.57 0.13 0.00 1.23 0.00 0.00 39.78 40.57 1lms n ASN 52 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1lms h ILE 53 N 0.00 1.24 -0.46 -1.44 2.10 -1.82 0.18 117.51 117.30 1lms h ILE 53 Ca 0.56 -0.59 -0.12 0.00 1.08 0.00 0.00 64.86 65.79 1lms h ILE 53 Cb 1.09 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 1lms h ILE 53 CO -0.92 0.27 -0.20 0.50 -1.08 0.00 0.00 178.15 176.72 1lms h LYS 54 N 1.18 0.93 -0.66 2.19 3.64 -0.85 -2.77 116.57 120.23 1lms h LYS 54 Ca 0.30 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1lms h LYS 54 Cb 0.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1lms h LYS 54 CO -0.05 1.04 0.11 -0.22 -2.27 0.00 0.00 179.45 178.06 1lms h LYS 55 N 0.81 1.08 -4.29 1.90 1.63 -1.02 -3.48 116.57 113.21 1lms h LYS 55 Ca 0.11 -0.28 -0.24 0.00 -0.85 0.00 0.00 60.65 59.39 1lms h LYS 55 Cb 0.76 -0.13 0.10 0.00 -0.60 0.00 0.00 32.23 32.36 1lms h LYS 55 CO 0.06 0.99 -0.48 -1.71 -3.45 0.00 0.00 179.45 174.86 1lms n ASN 56 N -4.22 -3.44 -4.59 4.20 2.85 0.59 -4.89 115.26 105.76 1lms n ASN 56 Ca 0.04 -0.38 -0.42 0.00 -0.11 0.00 0.00 54.58 53.72 1lms n ASN 56 Cb 0.29 -3.51 -0.03 0.00 1.24 0.00 0.00 39.78 37.77 1lms n ASN 56 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1lms s VAL 57 N -3.22 3.33 0.21 3.44 0.11 -1.25 -4.36 120.40 118.66 1lms s VAL 57 Ca 0.19 0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 59.23 1lms s VAL 57 Cb -0.08 -3.52 -0.12 0.00 -1.53 0.00 0.00 36.38 31.12 1lms s VAL 57 CO 0.48 -0.39 1.72 -0.11 -3.33 0.00 0.00 175.10 173.47 1lms n LEU 58 N 11.48 3.95 -3.95 2.54 -0.00 -1.26 -0.24 117.00 129.52 1lms n LEU 58 Ca 0.25 1.06 -0.30 0.00 -0.00 0.00 0.00 56.01 57.02 1lms n LEU 58 Cb 0.48 -1.57 -0.13 0.00 -0.00 0.00 0.00 43.42 42.20 1lms n LEU 58 CO 0.69 0.16 -0.12 0.26 -0.00 0.00 0.00 177.39 178.37 1lms s TRP 59 N 1.15 3.29 -0.33 1.96 0.23 0.80 -4.91 118.94 121.12 1lms s TRP 59 Ca 0.75 -3.18 -0.08 0.00 -2.03 0.00 0.00 56.10 51.57 1lms s TRP 59 Cb -0.52 -2.83 0.21 0.00 0.03 0.00 0.00 33.47 30.36 1lms s TRP 59 CO 0.33 -0.71 1.10 0.34 0.96 0.00 0.00 176.95 178.97 1lms s ASP 60 N -0.46 -0.25 0.00 2.95 2.15 -1.26 -0.35 116.67 119.45 1lms s ASP 60 Ca 0.19 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.91 1lms s ASP 60 Cb -0.21 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 1lms s ASP 60 CO -0.04 -0.01 0.00 1.21 -0.17 0.00 0.00 175.17 176.16 1lms n GLU 61 N 2.82 0.00 0.14 4.34 0.00 -1.26 -4.90 120.64 121.78 1lms n GLU 61 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1lms n GLU 61 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 1lms n GLU 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1lms n ASN 62 N 0.00 -1.48 -0.35 4.31 3.02 -1.26 -4.66 115.26 114.84 1lms n ASN 62 Ca 0.00 0.50 0.07 0.00 -0.03 0.00 0.00 54.58 55.11 1lms n ASN 62 Cb 0.00 1.53 0.23 0.00 -0.61 0.00 0.00 39.78 40.93 1lms n ASN 62 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1lms h ASN 63 N 0.00 0.87 -0.83 6.41 2.35 -1.98 0.11 115.58 122.51 1lms h ASN 63 Ca 0.00 0.05 0.12 0.00 -0.55 0.00 0.00 56.30 55.92 1lms h ASN 63 Cb 0.00 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1lms h ASN 63 CO 0.00 0.46 0.54 0.00 -1.65 0.00 0.00 177.43 176.78 1lms h MET 64 N 0.94 0.65 0.23 0.81 -0.00 -1.92 0.15 114.93 115.79 1lms h MET 64 Ca 0.48 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 60.14 1lms h MET 64 Cb 0.49 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1lms h MET 64 CO -0.27 0.43 -0.19 0.77 -0.00 0.00 0.00 176.91 177.64 1lms h SER 65 N 0.67 -0.51 0.38 -0.10 0.02 -1.05 0.22 113.55 113.19 1lms h SER 65 Ca 0.40 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1lms h SER 65 Cb 0.62 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1lms h SER 65 CO -0.16 -0.29 -0.21 -0.33 -1.14 0.00 0.00 176.83 174.70 1lms h GLU 66 N -0.44 -0.53 -0.93 3.45 5.08 -1.32 0.15 114.58 120.04 1lms h GLU 66 Ca -0.01 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1lms h GLU 66 Cb 0.40 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1lms h GLU 66 CO -0.02 -0.35 0.55 1.88 -1.00 0.00 0.00 179.01 180.07 1lms h TYR 67 N -0.55 1.23 0.03 4.33 0.05 -0.45 -0.66 116.97 120.95 1lms h TYR 67 Ca -0.05 -0.01 -0.27 0.00 0.05 0.00 0.00 58.73 58.46 1lms h TYR 67 Cb 0.44 -0.40 0.02 0.00 1.01 0.00 0.00 36.73 37.79 1lms h TYR 67 CO -0.07 0.82 -1.08 -0.07 -1.05 0.00 0.00 178.16 176.72 1lms h LEU 68 N 1.29 0.84 -0.51 3.88 3.38 -0.64 -0.30 115.31 123.25 1lms h LEU 68 Ca 0.33 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1lms h LEU 68 Cb -0.04 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.36 1lms h LEU 68 CO -0.06 1.50 -0.02 0.74 0.09 0.00 0.00 178.44 180.69 1lms h THR 69 N 0.34 0.58 -4.17 0.22 2.02 0.15 -3.41 112.91 108.64 1lms h THR 69 Ca -0.14 -0.03 -0.48 0.00 0.77 0.00 0.00 66.41 66.53 1lms h THR 69 Cb 1.73 0.48 0.03 0.00 -1.74 0.00 0.00 68.15 68.65 1lms h THR 69 CO 0.21 0.02 0.38 0.20 0.37 0.00 0.00 175.52 176.69 1lms s ASN 70 N -5.25 6.31 -0.75 4.18 -0.87 -0.34 -4.70 114.94 113.53 1lms s ASN 70 Ca -0.14 1.71 -0.23 0.00 -1.57 0.00 0.00 52.86 52.63 1lms s ASN 70 Cb 0.16 -2.53 -0.17 0.00 -0.02 0.00 0.00 41.25 38.70 1lms s ASN 70 CO 0.72 -0.80 1.89 -0.81 -2.57 0.00 0.00 177.10 175.53 1lms n PRO 71 N -1.62 1.34 0.00 -0.60 -0.04 -1.26 -3.78 135.00 129.04 1lms n PRO 71 Ca 0.08 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1lms n PRO 71 Cb 0.53 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1lms n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lms n ALA 72 N 8.74 1.85 -3.61 0.55 0.00 -1.25 -4.36 120.51 122.43 1lms n ALA 72 Ca 0.49 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.72 1lms n ALA 72 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 1lms n ALA 72 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1lms n LYS 73 N -1.51 -1.38 -2.96 0.00 -0.00 -0.12 -4.32 118.16 107.85 1lms n LYS 73 Ca 0.00 0.88 0.02 0.00 -0.00 0.00 0.00 58.31 59.21 1lms n LYS 73 Cb 0.00 -3.35 -0.00 0.00 -0.00 0.00 0.00 35.03 31.68 1lms n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1lms s TYR 74 N -3.06 -0.96 0.44 5.58 2.02 -1.26 -5.00 117.35 115.11 1lms s TYR 74 Ca 0.07 0.16 0.29 0.00 -0.37 0.00 0.00 57.07 57.22 1lms s TYR 74 Cb -0.03 0.18 1.38 0.00 -0.40 0.00 0.00 41.96 43.08 1lms s TYR 74 CO 0.86 -0.64 1.66 0.82 -1.57 0.00 0.00 175.55 176.68 1lms h ILE 75 N 4.14 0.21 -0.06 2.71 1.08 -1.91 -3.12 117.51 120.56 1lms h ILE 75 Ca -0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1lms h ILE 75 Cb 1.21 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1lms h ILE 75 CO 0.00 0.03 0.00 -0.81 -0.69 0.00 0.00 178.15 176.68 1lms n PRO 76 N -4.62 1.25 0.00 2.37 -0.04 -1.26 -4.85 135.00 127.84 1lms n PRO 76 Ca 0.34 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1lms n PRO 76 Cb 1.33 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1lms n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lms n GLY 77 N 0.37 0.65 3.25 0.55 0.00 -1.18 -5.12 105.19 103.71 1lms n GLY 77 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1lms n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lms s THR 78 N -0.77 0.05 0.00 2.61 2.01 -1.26 -5.16 115.64 113.12 1lms s THR 78 Ca 0.00 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1lms s THR 78 Cb 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1lms s THR 78 CO 0.00 -0.21 0.00 0.00 -0.69 0.00 0.00 174.62 173.72 1lms n ALA 79 N 1.53 0.00 0.08 7.40 0.00 -1.26 -4.71 120.51 123.54 1lms n ALA 79 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1lms n ALA 79 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1lms n ALA 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1lms n MET 80 N -0.60 0.00 0.00 0.00 1.56 -1.26 -4.70 117.12 112.12 1lms n MET 80 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1lms n MET 80 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1lms n MET 80 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1lms n ALA 81 N -2.96 2.12 0.16 -5.12 0.00 -1.26 -2.49 120.51 110.96 1lms n ALA 81 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1lms n ALA 81 Cb 0.00 -1.00 0.77 0.00 0.00 0.00 0.00 19.45 19.22 1lms n ALA 81 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1lms h PHE 82 N 0.70 0.00 0.00 0.00 3.57 -1.91 -3.45 116.94 115.85 1lms h PHE 82 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1lms h PHE 82 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1lms h PHE 82 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1lms n GLY 83 N -1.48 1.84 0.00 2.40 0.00 -1.04 -4.68 105.19 102.23 1lms n GLY 83 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1lms n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lms n GLY 84 N -0.23 1.84 3.40 -0.02 0.00 -1.26 -5.09 105.19 103.83 1lms n GLY 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1lms n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lms s LEU 85 N 0.00 -0.30 0.00 0.99 2.96 -1.26 -5.06 118.68 116.01 1lms s LEU 85 Ca 0.00 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 1lms s LEU 85 Cb 0.00 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 44.05 1lms s LEU 85 CO 0.00 -4.85 0.00 1.17 -1.32 0.00 0.00 176.35 171.35 1lms n LYS 86 N -5.30 0.00 -4.46 1.98 3.00 -1.26 -4.81 118.16 107.31 1lms n LYS 86 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.18 1lms n LYS 86 Cb 0.58 -0.07 -0.10 0.00 0.00 0.00 0.00 35.03 35.44 1lms n LYS 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1lms s LYS 87 N -1.39 1.62 0.00 1.64 2.47 -1.26 -4.86 119.74 117.95 1lms s LYS 87 Ca 0.00 -1.80 0.00 0.00 -1.56 0.00 0.00 55.97 52.61 1lms s LYS 87 Cb 0.00 -1.39 0.00 0.00 -1.46 0.00 0.00 37.83 34.98 1lms s LYS 87 CO 0.00 0.13 0.00 0.39 0.16 0.00 0.00 175.35 176.03 1lms n GLU 88 N -0.62 0.00 -1.72 4.03 1.02 -1.26 -4.38 120.64 117.71 1lms n GLU 88 Ca -0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.07 1lms n GLU 88 Cb 0.63 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.08 1lms n GLU 88 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1lms n LYS 89 N 0.00 0.41 -0.00 3.49 4.81 -1.26 -4.97 118.16 120.64 1lms n LYS 89 Ca 0.00 -0.42 -0.17 0.00 -0.87 0.00 0.00 58.31 56.85 1lms n LYS 89 Cb 0.00 0.21 -0.13 0.00 0.02 0.00 0.00 35.03 35.12 1lms n LYS 89 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1lms h ASP 90 N 0.30 0.28 -0.88 3.14 3.04 -1.87 -3.29 116.42 117.14 1lms h ASP 90 Ca -0.17 -0.93 0.24 0.00 -3.24 0.00 0.00 57.03 52.92 1lms h ASP 90 Cb 1.06 -0.09 -0.14 0.00 -1.04 0.00 0.00 39.33 39.12 1lms h ASP 90 CO -0.07 1.19 0.21 -0.09 -2.04 0.00 0.00 179.24 178.44 1lms h ARG 91 N -0.58 0.18 0.06 4.15 1.12 -1.84 -2.19 114.38 115.29 1lms h ARG 91 Ca -0.08 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.80 1lms h ARG 91 Cb 1.32 -0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 31.19 1lms h ARG 91 CO 0.09 0.12 -0.49 -0.97 -3.11 0.00 0.00 179.97 175.60 1lms h ASN 92 N 0.18 -1.49 -0.39 -3.80 -1.24 -1.94 0.18 115.58 107.08 1lms h ASN 92 Ca 0.55 0.17 0.04 0.00 0.71 0.00 0.00 56.30 57.76 1lms h ASN 92 Cb 1.11 0.56 -0.04 0.00 0.73 0.00 0.00 38.32 40.69 1lms h ASN 92 CO -0.68 -0.52 0.18 0.44 -1.29 0.00 0.00 177.43 175.56 1lms h ASP 93 N -0.69 0.24 0.26 1.15 5.19 -1.68 0.41 116.42 121.31 1lms h ASP 93 Ca 0.02 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1lms h ASP 93 Cb 0.72 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.18 1lms h ASP 93 CO -0.31 0.18 -0.47 0.25 -3.12 0.00 0.00 179.24 175.77 1lms h LEU 94 N 0.37 -1.36 -1.13 1.55 5.85 -0.86 0.19 115.31 119.92 1lms h LEU 94 Ca 0.17 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.10 1lms h LEU 94 Cb 0.10 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1lms h LEU 94 CO -0.14 -0.57 0.60 0.40 -0.34 0.00 0.00 178.44 178.39 1lms h ILE 95 N -0.80 1.05 -0.27 4.05 5.03 -0.60 0.85 117.51 126.82 1lms h ILE 95 Ca -0.02 -0.35 0.06 0.00 -0.12 0.00 0.00 64.86 64.43 1lms h ILE 95 Cb 0.77 -0.07 -0.07 0.00 -3.03 0.00 0.00 36.82 34.42 1lms h ILE 95 CO -0.18 0.19 -0.18 0.74 -0.68 0.00 0.00 178.15 178.04 1lms h THR 96 N 1.03 0.50 -0.16 -0.27 2.02 -0.31 0.23 112.91 115.95 1lms h THR 96 Ca 0.40 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.60 1lms h THR 96 Cb 0.23 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1lms h THR 96 CO -0.16 0.00 0.04 1.88 0.37 0.00 0.00 175.52 177.65 1lms h TYR 97 N -0.16 0.07 -0.67 3.16 0.05 0.69 -0.40 116.97 119.71 1lms h TYR 97 Ca 0.15 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.98 1lms h TYR 97 Cb 0.38 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.06 1lms h TYR 97 CO -0.36 0.03 0.39 -0.07 -1.05 0.00 0.00 178.16 177.11 1lms h LEU 98 N 0.11 0.61 -0.02 3.88 3.38 -0.69 0.16 115.31 122.75 1lms h LEU 98 Ca 0.07 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1lms h LEU 98 Cb 0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1lms h LEU 98 CO -0.09 0.41 -0.42 0.11 0.09 0.00 0.00 178.44 178.54 1lms h LYS 99 N 0.74 -0.55 -0.96 1.13 6.56 0.15 0.31 116.57 123.96 1lms h LYS 99 Ca 0.29 0.04 0.10 0.00 -1.06 0.00 0.00 60.65 60.02 1lms h LYS 99 Cb 0.12 0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 1lms h LYS 99 CO -0.15 -0.36 0.61 0.87 -2.06 0.00 0.00 179.45 178.36 1lms h LYS 100 N -0.57 0.95 -0.19 3.15 1.57 -0.62 0.20 116.57 121.07 1lms h LYS 100 Ca 0.05 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1lms h LYS 100 Cb 0.65 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1lms h LYS 100 CO -0.33 0.63 -0.37 0.00 -0.57 0.00 0.00 179.45 178.81 1lms h ALA 101 N 1.53 0.30 0.00 3.86 0.00 -0.11 -3.41 119.26 121.44 1lms h ALA 101 Ca 0.45 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1lms h ALA 101 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1lms h ALA 101 CO -0.21 0.37 -0.56 1.15 0.00 0.00 0.00 179.25 180.00 1lms h THR 102 N 0.24 0.18 -0.00 0.00 2.02 -0.13 -3.51 112.91 111.72 1lms h THR 102 Ca 0.01 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1lms h THR 102 Cb 0.96 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1lms h THR 102 CO 0.08 0.06 0.00 -0.62 0.37 0.00 0.00 175.52 175.41