#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 s ASN 33 N 0.00 -0.56 0.31 6.43 0.02 -1.26 -5.18 114.94 114.69 1lm0 s ASN 33 Ca 0.00 1.04 0.10 0.00 -1.02 0.00 0.00 52.86 52.98 1lm0 s ASN 33 Cb 0.00 1.04 -0.06 0.00 0.02 0.00 0.00 41.25 42.25 1lm0 s ASN 33 CO 0.00 -0.21 -0.14 -0.76 0.02 0.00 0.00 177.10 176.01 1lm0 s LEU 34 N 1.72 2.65 -0.29 0.60 2.01 -1.26 -5.14 118.68 118.97 1lm0 s LEU 34 Ca -0.08 -1.12 -0.02 0.00 0.01 0.00 0.00 54.13 52.92 1lm0 s LEU 34 Cb -0.09 -1.01 0.04 0.00 0.01 0.00 0.00 46.19 45.15 1lm0 s LEU 34 CO -0.14 -0.10 -0.01 0.20 1.01 0.00 0.00 176.35 177.31 1lm0 s ASN 35 N -3.55 4.80 0.27 2.29 -0.87 -1.26 -4.97 114.94 111.66 1lm0 s ASN 35 Ca 0.31 -1.18 -0.07 0.00 -1.57 0.00 0.00 52.86 50.35 1lm0 s ASN 35 Cb -0.01 -1.71 -0.01 0.00 -0.02 0.00 0.00 41.25 39.50 1lm0 s ASN 35 CO 0.15 -0.24 0.42 -1.48 -2.57 0.00 0.00 177.10 173.39 1lm0 s LEU 36 N 1.28 0.69 -0.43 0.60 -0.00 -1.26 -4.91 118.68 114.65 1lm0 s LEU 36 Ca -0.04 -1.20 -0.22 0.00 -0.00 0.00 0.00 54.13 52.66 1lm0 s LEU 36 Cb -0.19 1.44 0.02 0.00 -0.00 0.00 0.00 46.19 47.46 1lm0 s LEU 36 CO -0.01 -1.15 0.74 -0.36 -0.00 0.00 0.00 176.35 175.57 1lm0 s PHE 37 N -3.69 3.03 0.33 3.48 0.08 -1.26 -1.58 117.98 118.37 1lm0 s PHE 37 Ca 0.28 0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.54 1lm0 s PHE 37 Cb 0.01 -3.53 -0.03 0.00 -0.57 0.00 0.00 43.02 38.89 1lm0 s PHE 37 CO 0.13 -0.91 0.18 1.52 -0.10 0.00 0.00 175.22 176.04 1lm0 s TYR 38 N 3.13 1.67 0.45 0.36 -0.85 -0.83 -4.82 117.35 116.46 1lm0 s TYR 38 Ca 0.28 -1.42 -0.23 0.00 -0.52 0.00 0.00 57.07 55.18 1lm0 s TYR 38 Cb -0.13 -0.89 -0.08 0.00 0.38 0.00 0.00 41.96 41.25 1lm0 s TYR 38 CO 0.21 -0.55 1.18 0.95 -1.52 0.00 0.00 175.55 175.81 1lm0 s THR 39 N -3.48 3.05 0.33 -3.49 -4.23 -1.24 -0.52 115.64 106.06 1lm0 s THR 39 Ca 0.34 0.81 0.02 0.00 -1.18 0.00 0.00 61.69 61.68 1lm0 s THR 39 Cb 0.04 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.73 1lm0 s THR 39 CO 0.19 0.01 1.97 1.55 -0.54 0.00 0.00 174.62 177.80 1lm0 h PRO 40 N 2.16 0.90 -0.97 3.99 0.13 -1.85 -2.42 132.00 133.93 1lm0 h PRO 40 Ca -0.49 -0.05 0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1lm0 h PRO 40 Cb 1.25 -0.20 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1lm0 h PRO 40 CO 0.61 0.60 0.52 1.03 -0.23 0.00 0.00 178.00 180.52 1lm0 h SER 41 N 0.93 0.49 -0.62 1.44 0.87 -1.91 0.19 113.55 114.94 1lm0 h SER 41 Ca 0.30 0.17 0.13 0.00 -1.23 0.00 0.00 61.79 61.15 1lm0 h SER 41 Cb 0.04 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.02 1lm0 h SER 41 CO -0.08 -0.04 0.08 -0.08 -0.53 0.00 0.00 176.83 176.17 1lm0 h GLU 42 N 0.41 0.19 -1.19 2.24 4.81 -1.82 0.35 114.58 119.57 1lm0 h GLU 42 Ca 0.66 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 59.54 1lm0 h GLU 42 Cb 1.38 -0.04 -0.17 0.00 0.63 0.00 0.00 28.75 30.54 1lm0 h GLU 42 CO -0.56 0.12 0.44 0.44 -0.73 0.00 0.00 179.01 178.72 1lm0 n ILE 43 N -5.20 2.57 -0.04 2.32 -0.00 0.65 -3.93 119.36 115.72 1lm0 n ILE 43 Ca 0.09 -1.46 -0.05 0.00 -0.00 0.00 0.00 62.75 61.34 1lm0 n ILE 43 Cb 0.35 -0.96 -0.06 0.00 -0.00 0.00 0.00 39.64 38.97 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 176.55 177.10 1lm0 n VAL 44 N -0.21 0.56 -4.01 7.28 3.14 0.11 -4.28 118.33 120.91 1lm0 n VAL 44 Ca 0.35 -0.30 -0.33 0.00 -2.96 0.00 0.00 64.34 61.10 1lm0 n VAL 44 Cb 0.92 -0.81 -0.15 0.00 -1.06 0.00 0.00 33.84 32.75 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1lm0 s ASN 45 N -4.27 4.26 -1.26 6.55 0.01 -1.23 -4.60 114.94 114.40 1lm0 s ASN 45 Ca -0.07 -1.07 -0.05 0.00 -0.71 0.00 0.00 52.86 50.95 1lm0 s ASN 45 Cb 0.03 -1.61 0.01 0.00 0.41 0.00 0.00 41.25 40.09 1lm0 s ASN 45 CO 0.30 -0.15 1.08 0.61 -1.51 0.00 0.00 177.10 177.43 1lm0 n GLY 46 N 4.58 -0.44 0.00 0.66 0.00 -1.26 -4.90 105.19 103.83 1lm0 n GLY 46 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1lm0 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lm0 n LYS 47 N -4.56 0.00 -0.03 1.61 5.02 -1.26 -4.43 118.16 114.50 1lm0 n LYS 47 Ca -0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.05 1lm0 n LYS 47 Cb 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.51 1lm0 n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lm0 h THR 48 N 0.00 1.43 -0.69 -0.18 1.03 -1.79 0.19 112.91 112.91 1lm0 h THR 48 Ca 0.00 -1.48 0.14 0.00 -0.01 0.00 0.00 66.41 65.07 1lm0 h THR 48 Cb 0.00 2.28 -0.10 0.00 -1.07 0.00 0.00 68.15 69.25 1lm0 h THR 48 CO 0.00 0.41 0.15 -0.78 -0.01 0.00 0.00 175.52 175.29 1lm0 h ASP 49 N -0.33 -0.02 0.65 0.00 3.58 -1.74 0.31 116.42 118.87 1lm0 h ASP 49 Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1lm0 h ASP 49 Cb 0.73 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1lm0 h ASP 49 CO 0.03 -0.03 -0.50 0.41 -2.88 0.00 0.00 179.24 176.27 1lm0 n THR 50 N -5.16 0.11 -3.72 2.25 -1.04 -1.24 -4.87 114.28 100.59 1lm0 n THR 50 Ca 0.12 -0.08 -0.24 0.00 -2.04 0.00 0.00 64.05 61.81 1lm0 n THR 50 Cb 0.41 0.07 0.05 0.00 -1.82 0.00 0.00 70.33 69.04 1lm0 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm0 n GLY 51 N 1.45 -0.42 0.09 3.41 0.00 0.11 -4.95 105.19 104.89 1lm0 n GLY 51 Ca 0.05 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1lm0 n GLY 51 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lm0 n VAL 52 N -4.53 1.48 -0.07 1.61 0.24 -0.48 -4.81 118.33 111.77 1lm0 n VAL 52 Ca -0.13 0.08 -0.05 0.00 -2.04 0.00 0.00 64.34 62.21 1lm0 n VAL 52 Cb 0.60 -2.28 -0.02 0.00 -1.47 0.00 0.00 33.84 30.68 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1lm0 n LYS 53 N -4.48 0.43 -2.86 7.34 4.76 -1.26 -4.79 118.16 117.30 1lm0 n LYS 53 Ca -0.19 0.45 -0.43 0.00 -2.87 0.00 0.00 58.31 55.28 1lm0 n LYS 53 Cb 0.50 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 32.07 1lm0 n LYS 53 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1lm0 s PRO 54 N -2.25 3.53 0.69 1.97 0.04 -1.26 -5.05 135.00 132.67 1lm0 s PRO 54 Ca -0.16 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 60.87 1lm0 s PRO 54 Cb 0.02 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.66 1lm0 s PRO 54 CO 0.23 -1.16 1.11 -1.21 0.04 0.00 0.00 177.00 176.01 1lm0 s GLU 55 N 3.59 2.64 1.06 4.56 2.02 -1.26 -4.48 118.70 126.83 1lm0 s GLU 55 Ca 0.35 1.37 -0.15 0.00 0.02 0.00 0.00 54.97 56.56 1lm0 s GLU 55 Cb -0.11 -1.93 0.11 0.00 0.10 0.00 0.00 34.13 32.30 1lm0 s GLU 55 CO 0.24 -1.37 0.35 0.00 0.02 0.00 0.00 175.26 174.50 1lm0 n ALA 56 N -2.66 -3.27 -0.93 5.21 0.00 -1.26 -3.76 120.51 113.84 1lm0 n ALA 56 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1lm0 n ALA 56 Cb 0.52 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1lm0 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm0 n GLY 57 N 1.60 0.59 3.88 0.00 0.00 -1.26 -5.01 105.19 104.99 1lm0 n GLY 57 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1lm0 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lm0 s GLN 58 N -0.07 3.21 -0.14 1.61 -0.21 -1.25 -4.92 119.66 117.89 1lm0 s GLN 58 Ca 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 1lm0 s GLN 58 Cb 0.00 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 1lm0 s GLN 58 CO 0.00 0.50 0.12 1.03 -2.12 0.00 0.00 175.29 174.82 1lm0 s ARG 59 N -3.20 3.63 0.28 2.91 0.52 -1.26 -1.21 118.95 120.62 1lm0 s ARG 59 Ca 0.33 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1lm0 s ARG 59 Cb -0.11 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1lm0 s ARG 59 CO 0.26 0.62 0.27 0.96 0.02 0.00 0.00 175.30 177.43 1lm0 s ILE 60 N -0.58 0.00 -0.07 1.52 -4.36 -1.25 -4.57 121.20 111.89 1lm0 s ILE 60 Ca 0.12 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 1lm0 s ILE 60 Cb -0.12 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1lm0 s ILE 60 CO 0.02 0.00 -0.06 -0.13 0.24 0.00 0.00 174.94 175.01 1lm0 s ARG 61 N -3.67 1.10 -0.30 0.37 0.52 -0.62 -3.26 118.95 113.09 1lm0 s ARG 61 Ca 0.38 -0.16 -0.13 0.00 -0.52 0.00 0.00 55.73 55.30 1lm0 s ARG 61 Cb 0.03 -1.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.36 1lm0 s ARG 61 CO 0.20 -0.13 0.27 0.54 0.02 0.00 0.00 175.30 176.20 1lm0 s VAL 62 N 1.19 5.25 -0.21 3.52 0.11 0.60 -1.97 120.40 128.89 1lm0 s VAL 62 Ca -0.06 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1lm0 s VAL 62 Cb -0.14 -3.66 0.05 0.00 -1.53 0.00 0.00 36.38 31.10 1lm0 s VAL 62 CO -0.02 0.11 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.95 1lm0 s GLY 63 N 1.72 1.23 0.00 6.54 0.00 0.32 -0.53 107.32 116.61 1lm0 s GLY 63 Ca 0.09 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1lm0 s GLY 63 CO 0.11 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.62 1lm0 n GLY 64 N 4.70 1.23 3.67 0.20 0.00 -0.93 -3.61 105.19 110.45 1lm0 n GLY 64 Ca -0.13 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1lm0 n GLY 64 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1lm0 s MET 65 N 0.01 3.80 -0.20 1.61 0.23 -1.22 -1.68 119.30 121.86 1lm0 s MET 65 Ca 0.00 -0.33 -0.06 0.00 -1.03 0.00 0.00 55.69 54.27 1lm0 s MET 65 Cb 0.00 -3.16 -0.03 0.00 -1.53 0.00 0.00 34.83 30.11 1lm0 s MET 65 CO 0.00 0.38 0.03 0.08 -2.03 0.00 0.00 175.02 173.48 1lm0 s VAL 66 N 0.06 4.28 0.33 5.16 1.01 -0.69 -1.32 120.40 129.23 1lm0 s VAL 66 Ca 0.05 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1lm0 s VAL 66 Cb -0.12 -2.94 -0.12 0.00 0.00 0.00 0.00 36.38 33.20 1lm0 s VAL 66 CO 0.01 0.43 1.45 0.41 0.00 0.00 0.00 175.10 177.40 1lm0 n THR 67 N 4.05 1.59 0.16 3.92 -1.04 -1.26 -3.34 114.28 118.35 1lm0 n THR 67 Ca -0.17 -0.40 -0.16 0.00 -2.04 0.00 0.00 64.05 61.29 1lm0 n THR 67 Cb 0.52 -1.79 -0.09 0.00 -1.82 0.00 0.00 70.33 67.14 1lm0 n THR 67 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1lm0 h VAL 68 N 2.96 0.00 0.00 12.58 3.04 -1.90 -3.20 116.25 129.74 1lm0 h VAL 68 Ca -0.48 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 64.55 1lm0 h VAL 68 Cb 1.25 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1lm0 h VAL 68 CO 0.69 0.00 2.88 0.61 -1.01 0.00 0.00 177.57 180.74 1lm0 n GLY 69 N -1.48 3.68 0.00 3.17 0.00 -1.26 -3.64 105.19 105.67 1lm0 n GLY 69 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lm0 n SER 70 N 6.22 0.00 -4.65 1.61 7.64 -1.21 -5.03 113.62 118.21 1lm0 n SER 70 Ca 0.53 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.98 1lm0 n SER 70 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1lm0 n SER 70 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1lm0 s MET 71 N -1.00 4.01 -0.05 1.43 1.75 -1.24 -3.57 119.30 120.64 1lm0 s MET 71 Ca 0.00 1.88 0.06 0.00 -1.25 0.00 0.00 55.69 56.37 1lm0 s MET 71 Cb 0.00 -3.98 -0.01 0.00 2.84 0.00 0.00 34.83 33.69 1lm0 s MET 71 CO 0.00 -1.03 -0.22 0.14 -0.65 0.00 0.00 175.02 173.26 1lm0 s VAL 72 N 4.49 1.79 0.04 10.11 -7.23 0.21 -4.99 120.40 124.81 1lm0 s VAL 72 Ca 0.70 -0.93 0.09 0.00 -1.81 0.00 0.00 61.98 60.03 1lm0 s VAL 72 Cb -0.28 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1lm0 s VAL 72 CO 0.27 0.50 -0.24 0.00 -0.31 0.00 0.00 175.10 175.33 1lm0 s ARG 73 N -0.16 1.88 0.12 4.82 1.70 -1.26 -0.88 118.95 125.18 1lm0 s ARG 73 Ca -0.02 -1.07 -0.11 0.00 -0.47 0.00 0.00 55.73 54.06 1lm0 s ARG 73 Cb -0.12 -2.05 -0.06 0.00 -0.57 0.00 0.00 34.95 32.15 1lm0 s ARG 73 CO 0.02 0.52 0.47 -0.51 -1.08 0.00 0.00 175.30 174.72 1lm0 s ASP 74 N -1.32 6.70 0.00 -2.89 1.11 -0.31 -4.97 116.67 114.99 1lm0 s ASP 74 Ca 0.13 0.90 0.00 0.00 0.18 0.00 0.00 52.55 53.76 1lm0 s ASP 74 Cb -0.10 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1lm0 s ASP 74 CO 0.03 0.11 0.80 -0.81 1.18 0.00 0.00 175.17 176.48 1lm0 n PRO 75 N 0.71 0.78 0.07 8.23 -0.04 -1.26 -1.62 135.00 141.87 1lm0 n PRO 75 Ca -0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1lm0 n PRO 75 Cb 0.52 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 1lm0 n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1lm0 h ASN 76 N 0.47 0.00 -1.34 3.54 2.35 -1.93 -3.48 115.58 115.18 1lm0 h ASN 76 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1lm0 h ASN 76 Cb 0.78 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.05 1lm0 h ASN 76 CO 0.00 0.27 -0.36 -1.20 -1.65 0.00 0.00 177.43 174.49 1lm0 n SER 77 N -2.78 -5.09 0.00 5.81 7.64 -0.64 -4.81 113.62 113.74 1lm0 n SER 77 Ca -0.04 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1lm0 n SER 77 Cb 0.68 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 1lm0 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm0 n LEU 78 N -2.14 0.32 -3.92 -3.43 -0.00 -1.26 -4.64 117.00 101.93 1lm0 n LEU 78 Ca -0.18 -0.39 -0.24 0.00 -0.00 0.00 0.00 56.01 55.20 1lm0 n LEU 78 Cb 0.60 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.85 1lm0 n LEU 78 CO 0.26 0.08 -0.43 -1.00 -0.00 0.00 0.00 177.39 176.29 1lm0 s HIS 79 N -0.15 1.17 -0.01 1.47 3.76 -1.26 -2.41 115.29 117.85 1lm0 s HIS 79 Ca 0.00 -0.46 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 1lm0 s HIS 79 Cb 0.00 -0.97 -0.00 0.00 1.11 0.00 0.00 32.58 32.72 1lm0 s HIS 79 CO 0.00 -0.33 0.05 0.14 -0.85 0.00 0.00 174.74 173.75 1lm0 s VAL 80 N 1.22 0.04 0.06 -0.90 -7.23 -0.14 -1.16 120.40 112.27 1lm0 s VAL 80 Ca -0.05 -0.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1lm0 s VAL 80 Cb -0.14 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 1lm0 s VAL 80 CO -0.02 -0.16 0.04 0.00 -0.31 0.00 0.00 175.10 174.64 1lm0 s GLN 81 N -0.49 0.64 -0.13 4.82 -2.07 -0.06 -0.39 119.66 121.98 1lm0 s GLN 81 Ca -0.06 -1.07 -0.10 0.00 -1.82 0.00 0.00 55.36 52.32 1lm0 s GLN 81 Cb -0.04 0.24 0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1lm0 s GLN 81 CO 0.00 -0.15 0.34 -0.59 -1.32 0.00 0.00 175.29 173.58 1lm0 s PHE 82 N -3.60 -0.42 0.13 9.60 -0.71 0.33 -0.62 117.98 122.69 1lm0 s PHE 82 Ca 0.04 0.98 -0.26 0.00 -1.04 0.00 0.00 56.93 56.65 1lm0 s PHE 82 Cb 0.05 0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.94 1lm0 s PHE 82 CO -0.09 -0.23 0.79 0.00 -1.34 0.00 0.00 175.22 174.35 1lm0 s ALA 83 N 0.64 3.41 0.20 1.99 0.00 -1.23 -0.52 121.76 126.25 1lm0 s ALA 83 Ca -0.04 0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.39 1lm0 s ALA 83 Cb -0.05 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1lm0 s ALA 83 CO -0.04 0.21 -0.17 0.54 0.00 0.00 0.00 175.76 176.30 1lm0 s VAL 84 N -0.79 2.72 0.36 0.00 0.11 0.38 -4.27 120.40 118.91 1lm0 s VAL 84 Ca 0.37 -1.94 0.04 0.00 -2.93 0.00 0.00 61.98 57.52 1lm0 s VAL 84 Cb -0.23 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1lm0 s VAL 84 CO 0.26 -0.16 0.12 -1.38 -3.33 0.00 0.00 175.10 170.61 1lm0 s HIS 85 N -1.82 1.76 0.15 1.54 -3.43 -0.43 -1.26 115.29 111.79 1lm0 s HIS 85 Ca 0.24 -1.25 -0.01 0.00 -0.80 0.00 0.00 55.06 53.24 1lm0 s HIS 85 Cb -0.08 -1.08 -0.04 0.00 -1.43 0.00 0.00 32.58 29.95 1lm0 s HIS 85 CO 0.13 -0.31 0.08 0.34 -2.00 0.00 0.00 174.74 172.97 1lm0 s ASP 86 N -3.50 0.27 0.23 7.38 2.15 -1.25 -3.39 116.67 118.55 1lm0 s ASP 86 Ca 0.30 -1.24 -0.10 0.00 0.43 0.00 0.00 52.55 51.94 1lm0 s ASP 86 Cb 0.05 0.32 0.33 0.00 -0.30 0.00 0.00 42.92 43.31 1lm0 s ASP 86 CO 0.16 -0.76 1.35 -0.24 -0.17 0.00 0.00 175.17 175.51 1lm0 n SER 87 N -0.14 -0.40 -1.55 -0.34 2.88 -1.26 -0.49 113.62 112.32 1lm0 n SER 87 Ca -0.04 1.50 -0.11 0.00 -1.33 0.00 0.00 58.87 58.90 1lm0 n SER 87 Cb 0.64 -0.41 0.08 0.00 -0.75 0.00 0.00 64.21 63.77 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1lm0 n LEU 88 N -5.37 4.67 -3.61 2.46 7.99 -1.26 -4.84 117.00 117.05 1lm0 n LEU 88 Ca 0.12 -2.44 -0.23 0.00 -0.01 0.00 0.00 56.01 53.45 1lm0 n LEU 88 Cb 0.40 -0.65 0.07 0.00 -0.11 0.00 0.00 43.42 43.13 1lm0 n LEU 88 CO -0.11 0.74 0.17 0.61 -1.51 0.00 0.00 177.39 177.30 1lm0 n GLY 89 N -0.24 -0.48 2.57 -0.72 0.00 0.36 -4.84 105.19 101.85 1lm0 n GLY 89 Ca 0.27 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 1lm0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLY 90 N -1.72 3.80 3.56 -0.02 0.00 -1.25 -4.76 105.19 104.79 1lm0 n GLY 90 Ca -0.08 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1lm0 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 91 N 3.04 2.93 0.12 1.61 2.12 -1.26 -3.97 118.70 123.30 1lm0 s GLU 91 Ca 0.56 0.36 0.08 0.00 0.36 0.00 0.00 54.97 56.33 1lm0 s GLU 91 Cb 0.15 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.23 1lm0 s GLU 91 CO -0.04 -2.39 -0.19 0.42 -0.54 0.00 0.00 175.26 172.52 1lm0 s ILE 92 N 7.50 1.64 -0.22 -3.70 -1.09 -0.39 -4.98 121.20 119.95 1lm0 s ILE 92 Ca 0.56 -1.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.26 1lm0 s ILE 92 Cb -0.11 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.14 1lm0 s ILE 92 CO 0.20 -0.20 0.03 -0.76 -1.23 0.00 0.00 174.94 172.99 1lm0 s LEU 93 N -2.19 3.35 -0.25 2.97 1.43 -1.26 -0.47 118.68 122.26 1lm0 s LEU 93 Ca 0.09 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1lm0 s LEU 93 Cb -0.08 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1lm0 s LEU 93 CO 0.05 0.02 0.09 -0.69 0.23 0.00 0.00 176.35 176.04 1lm0 s VAL 94 N 1.30 4.49 -0.02 -1.59 1.01 0.32 -1.47 120.40 124.43 1lm0 s VAL 94 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 1lm0 s VAL 94 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1lm0 s VAL 94 CO 0.02 0.32 0.05 0.42 0.00 0.00 0.00 175.10 175.92 1lm0 s THR 95 N 1.63 4.56 -0.27 3.92 -4.23 0.54 -0.51 115.64 121.28 1lm0 s THR 95 Ca 0.06 -0.42 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 1lm0 s THR 95 Cb -0.15 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.75 1lm0 s THR 95 CO 0.05 0.40 0.17 -0.47 -0.54 0.00 0.00 174.62 174.23 1lm0 s TYR 96 N -1.12 0.06 -0.55 3.99 6.14 0.48 -0.96 117.35 125.38 1lm0 s TYR 96 Ca 0.20 -0.54 -0.02 0.00 0.64 0.00 0.00 57.07 57.35 1lm0 s TYR 96 Cb -0.12 -0.72 0.24 0.00 0.42 0.00 0.00 41.96 41.79 1lm0 s TYR 96 CO 0.11 -0.79 2.27 -0.40 0.64 0.00 0.00 175.55 177.38 1lm0 n ASP 97 N 5.27 6.97 -2.65 4.32 5.75 -1.26 -0.97 116.55 133.98 1lm0 n ASP 97 Ca -0.05 -3.43 -0.05 0.00 -0.01 0.00 0.00 54.79 51.24 1lm0 n ASP 97 Cb 0.45 -1.10 0.09 0.00 -1.03 0.00 0.00 41.12 39.53 1lm0 n ASP 97 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lm0 n ASP 98 N 0.06 -1.64 0.00 -1.12 8.00 -1.01 -4.80 116.55 116.03 1lm0 n ASP 98 Ca 0.48 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1lm0 n ASP 98 Cb 0.51 0.94 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1lm0 n LEU 99 N -0.68 0.00 -3.64 0.64 4.32 -1.25 -4.92 117.00 111.46 1lm0 n LEU 99 Ca -0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.78 1lm0 n LEU 99 Cb 0.80 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.55 1lm0 n LEU 99 CO -0.09 0.00 0.16 -0.76 -1.22 0.00 0.00 177.39 175.47 1lm0 s LEU 100 N 0.00 0.41 0.00 2.23 1.43 -1.26 -4.78 118.68 116.71 1lm0 s LEU 100 Ca 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1lm0 s LEU 100 Cb 0.00 1.80 0.00 0.00 0.03 0.00 0.00 46.19 48.02 1lm0 s LEU 100 CO 0.00 -0.79 0.00 -0.81 0.23 0.00 0.00 176.35 174.98 1lm0 n PRO 101 N 0.00 0.00 -0.88 1.29 -0.04 -1.26 -4.41 135.00 129.71 1lm0 n PRO 101 Ca -0.17 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.12 1lm0 n PRO 101 Cb 0.62 -0.02 -0.09 0.00 -0.04 0.00 0.00 33.50 33.97 1lm0 n PRO 101 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lm0 n ASP 102 N 0.00 5.15 0.00 3.54 9.92 -1.26 -4.57 116.55 129.32 1lm0 n ASP 102 Ca 0.00 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 1lm0 n ASP 102 Cb 0.00 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 39.28 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lm0 n LEU 103 N 3.07 0.27 -2.49 0.64 -0.00 -1.26 -3.14 117.00 114.09 1lm0 n LEU 103 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.44 1lm0 n LEU 103 Cb 0.53 -0.44 -0.01 0.00 -0.00 0.00 0.00 43.42 43.50 1lm0 n LEU 103 CO 0.38 -0.14 -0.30 0.33 -0.00 0.00 0.00 177.39 177.66 1lm0 n PHE 104 N 0.14 -2.39 -2.40 1.47 7.35 -1.26 -4.91 117.46 115.46 1lm0 n PHE 104 Ca 0.00 1.41 -0.42 0.00 -0.76 0.00 0.00 57.45 57.67 1lm0 n PHE 104 Cb 0.01 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 37.34 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1lm0 s ARG 105 N -0.32 4.30 0.74 -4.13 1.81 -1.19 -4.99 118.95 115.17 1lm0 s ARG 105 Ca -0.07 1.72 -0.10 0.00 -1.72 0.00 0.00 55.73 55.56 1lm0 s ARG 105 Cb 0.00 -3.64 0.05 0.00 -0.45 0.00 0.00 34.95 30.92 1lm0 s ARG 105 CO 0.19 -0.56 1.10 -1.21 -0.68 0.00 0.00 175.30 174.14 1lm0 s GLU 106 N 2.70 2.37 -0.96 3.54 2.02 -1.26 -4.44 118.70 122.67 1lm0 s GLU 106 Ca 0.57 0.14 -0.04 0.00 0.02 0.00 0.00 54.97 55.66 1lm0 s GLU 106 Cb -0.25 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.94 1lm0 s GLU 106 CO 0.20 -1.27 0.82 0.41 0.02 0.00 0.00 175.26 175.44 1lm0 n GLY 107 N -3.08 -0.16 3.70 -1.39 0.00 -1.21 -4.89 105.19 98.16 1lm0 n GLY 107 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1lm0 n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1lm0 s GLN 108 N -5.54 2.08 0.10 1.61 -2.07 -1.21 -4.90 119.66 109.72 1lm0 s GLN 108 Ca 0.24 -1.50 -0.24 0.00 -1.82 0.00 0.00 55.36 52.04 1lm0 s GLN 108 Cb -0.11 0.56 -0.07 0.00 -1.09 0.00 0.00 33.01 32.31 1lm0 s GLN 108 CO 0.54 -0.93 0.73 0.20 -1.32 0.00 0.00 175.29 174.50 1lm0 s GLY 109 N -3.11 2.82 0.13 2.60 0.00 -1.26 -1.71 107.32 106.79 1lm0 s GLY 109 Ca 0.20 0.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.18 1lm0 s GLY 109 CO 0.14 0.86 0.03 -0.26 0.00 0.00 0.00 173.10 173.87 1lm0 s ILE 110 N -0.74 0.27 -0.23 0.90 -4.36 -0.68 -4.19 121.20 112.18 1lm0 s ILE 110 Ca 0.35 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 1lm0 s ILE 110 Cb -0.21 -2.00 0.05 0.00 1.25 0.00 0.00 42.46 41.55 1lm0 s ILE 110 CO 0.23 -0.53 -0.12 0.68 0.24 0.00 0.00 174.94 175.44 1lm0 s VAL 111 N -3.93 1.95 -0.12 8.37 -7.23 -1.10 -2.20 120.40 116.14 1lm0 s VAL 111 Ca 0.22 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 1lm0 s VAL 111 Cb 0.07 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1lm0 s VAL 111 CO 0.01 0.11 -0.20 0.00 -0.31 0.00 0.00 175.10 174.71 1lm0 s ALA 112 N 1.24 2.32 0.18 1.32 0.00 0.31 -0.65 121.76 126.48 1lm0 s ALA 112 Ca -0.04 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 50.99 1lm0 s ALA 112 Cb -0.18 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1lm0 s ALA 112 CO -0.07 0.14 -0.15 1.14 0.00 0.00 0.00 175.76 176.82 1lm0 s GLN 113 N 0.55 1.27 0.00 0.00 -2.07 0.07 -0.29 119.66 119.19 1lm0 s GLN 113 Ca -0.12 -1.49 0.00 0.00 -1.82 0.00 0.00 55.36 51.93 1lm0 s GLN 113 Cb -0.17 -1.14 0.00 0.00 -1.09 0.00 0.00 33.01 30.61 1lm0 s GLN 113 CO 0.04 0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 1lm0 n GLY 114 N -0.07 -1.37 3.29 2.60 0.00 -1.20 -0.42 105.19 108.02 1lm0 n GLY 114 Ca -0.10 0.77 -0.12 0.00 0.00 0.00 0.00 46.02 46.56 1lm0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm0 s VAL 115 N 0.00 0.06 0.33 1.61 0.11 0.40 -3.96 120.40 118.95 1lm0 s VAL 115 Ca 0.00 -0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 58.23 1lm0 s VAL 115 Cb 0.00 -0.90 -0.10 0.00 -1.53 0.00 0.00 36.38 33.84 1lm0 s VAL 115 CO 0.00 -0.29 1.37 -0.76 -3.33 0.00 0.00 175.10 172.09 1lm0 s LEU 116 N -1.91 4.39 -0.17 2.54 2.01 -0.35 -0.64 118.68 124.55 1lm0 s LEU 116 Ca -0.06 2.78 0.01 0.00 0.01 0.00 0.00 54.13 56.87 1lm0 s LEU 116 Cb -0.01 -3.65 0.02 0.00 0.01 0.00 0.00 46.19 42.55 1lm0 s LEU 116 CO -0.01 -0.64 -0.20 -0.83 1.01 0.00 0.00 176.35 175.67 1lm0 s GLY 117 N -0.30 1.38 -1.38 -3.19 0.00 0.97 -4.02 107.32 100.79 1lm0 s GLY 117 Ca 0.51 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 1lm0 s GLY 117 CO 0.55 0.23 1.02 -2.21 0.00 0.00 0.00 173.10 172.68 1lm0 n GLU 118 N 4.52 -6.56 -3.91 2.90 2.13 -1.26 -0.41 120.64 118.04 1lm0 n GLU 118 Ca -0.21 0.73 -0.25 0.00 0.66 0.00 0.00 57.16 58.10 1lm0 n GLU 118 Cb 0.50 -5.66 -0.07 0.00 0.27 0.00 0.00 31.44 26.48 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1lm0 n ASP 119 N -2.99 0.56 0.04 4.31 9.92 -1.26 -4.36 116.55 122.78 1lm0 n ASP 119 Ca -0.07 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.19 1lm0 n ASP 119 Cb 0.58 -1.23 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm0 n GLY 120 N -2.21 -1.16 3.87 0.44 0.00 -0.88 -4.26 105.19 100.99 1lm0 n GLY 120 Ca -0.25 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1lm0 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm0 s LYS 121 N -2.00 3.83 -0.34 1.61 3.01 0.45 -4.78 119.74 121.52 1lm0 s LYS 121 Ca 0.00 0.47 -0.08 0.00 -1.01 0.00 0.00 55.97 55.34 1lm0 s LYS 121 Cb 0.00 -2.45 0.03 0.00 -1.01 0.00 0.00 37.83 34.39 1lm0 s LYS 121 CO 0.00 0.08 0.13 -0.51 0.51 0.00 0.00 175.35 175.56 1lm0 s LEU 122 N -3.45 4.33 -0.77 3.17 2.01 -0.54 -0.02 118.68 123.39 1lm0 s LEU 122 Ca 0.51 -0.96 -0.24 0.00 0.01 0.00 0.00 54.13 53.45 1lm0 s LEU 122 Cb -0.10 -1.93 0.06 0.00 0.01 0.00 0.00 46.19 44.22 1lm0 s LEU 122 CO 0.26 -0.31 1.18 0.00 1.01 0.00 0.00 176.35 178.50 1lm0 s ALA 123 N 1.48 2.93 0.01 4.21 0.00 0.18 -0.34 121.76 130.23 1lm0 s ALA 123 Ca 0.01 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.20 1lm0 s ALA 123 Cb -0.19 -4.14 -0.03 0.00 0.00 0.00 0.00 23.12 18.76 1lm0 s ALA 123 CO 0.04 -3.13 -0.06 0.00 0.00 0.00 0.00 175.76 172.61 1lm0 s ALA 124 N 4.75 3.04 0.00 0.00 0.00 -0.14 -0.46 121.76 128.96 1lm0 s ALA 124 Ca 0.32 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1lm0 s ALA 124 Cb -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1lm0 s ALA 124 CO 0.07 0.62 0.00 -2.37 0.00 0.00 0.00 175.76 174.08 1lm0 n THR 125 N 1.50 0.00 -2.68 0.00 5.66 0.44 -4.16 114.28 115.05 1lm0 n THR 125 Ca -0.15 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.43 1lm0 n THR 125 Cb 0.53 -0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 68.78 1lm0 n THR 125 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1lm0 s GLU 126 N -1.65 3.42 -0.27 1.09 0.41 -0.87 -4.92 118.70 115.91 1lm0 s GLU 126 Ca 0.00 -1.01 -0.12 0.00 -0.41 0.00 0.00 54.97 53.43 1lm0 s GLU 126 Cb 0.00 -4.81 -0.05 0.00 -1.78 0.00 0.00 34.13 27.49 1lm0 s GLU 126 CO 0.00 -2.04 0.25 0.14 -0.49 0.00 0.00 175.26 173.12 1lm0 s VAL 127 N 4.51 5.27 -0.27 2.63 -7.23 -1.26 -0.75 120.40 123.30 1lm0 s VAL 127 Ca 0.37 0.30 -0.03 0.00 -1.81 0.00 0.00 61.98 60.80 1lm0 s VAL 127 Cb -0.06 -3.58 0.02 0.00 0.56 0.00 0.00 36.38 33.33 1lm0 s VAL 127 CO -0.01 0.23 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.25 1lm0 s LEU 128 N 1.79 3.54 -0.02 1.32 2.01 0.18 -4.89 118.68 122.61 1lm0 s LEU 128 Ca 0.10 -0.89 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 1lm0 s LEU 128 Cb -0.16 -1.75 -0.16 0.00 0.01 0.00 0.00 46.19 44.14 1lm0 s LEU 128 CO 0.10 -0.17 3.00 0.00 1.01 0.00 0.00 176.35 180.29 1lm0 n ALA 129 N 4.73 5.52 -1.45 4.21 0.00 -1.26 -2.70 120.51 129.55 1lm0 n ALA 129 Ca -0.15 -1.22 -0.39 0.00 0.00 0.00 0.00 53.44 51.68 1lm0 n ALA 129 Cb 0.47 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1lm0 n ALA 129 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1lm0 n LYS 130 N 2.06 3.79 -2.15 0.00 2.85 -1.26 -4.89 118.16 118.56 1lm0 n LYS 130 Ca 0.28 -2.44 -0.33 0.00 -1.05 0.00 0.00 58.31 54.77 1lm0 n LYS 130 Cb 0.75 -2.81 -0.04 0.00 -0.65 0.00 0.00 35.03 32.29 1lm0 n LYS 130 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1lm0 s HIS 131 N 1.70 1.89 0.00 5.58 -3.43 -1.26 -4.97 115.29 114.80 1lm0 s HIS 131 Ca 0.66 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.35 1lm0 s HIS 131 Cb 0.18 -4.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.14 1lm0 s HIS 131 CO -0.07 -1.96 0.00 -0.25 -2.00 0.00 0.00 174.74 170.47