#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 0.01 -0.13 6.43 0.01 -1.26 -5.07 114.94 114.93 1lm0 s ASN 33 Ca 0.00 0.03 -0.13 0.00 -0.71 0.00 0.00 52.86 52.06 1lm0 s ASN 33 Cb 0.00 0.00 -0.11 0.00 0.41 0.00 0.00 41.25 41.55 1lm0 s ASN 33 CO 0.00 -0.04 0.25 0.25 -1.51 0.00 0.00 177.10 176.05 1lm0 h LEU 34 N 6.48 0.00 -7.72 0.60 5.85 -2.07 -3.44 115.31 115.01 1lm0 h LEU 34 Ca -0.31 -0.38 -0.70 0.00 0.84 0.00 0.00 57.88 57.33 1lm0 h LEU 34 Cb 1.18 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.87 1lm0 h LEU 34 CO 0.49 0.80 -0.41 0.21 -0.34 0.00 0.00 178.44 179.19 1lm0 s ASN 35 N -5.93 5.37 0.29 1.25 2.47 -1.25 -4.64 114.94 112.50 1lm0 s ASN 35 Ca -0.11 -2.44 0.05 0.00 0.42 0.00 0.00 52.86 50.78 1lm0 s ASN 35 Cb -0.00 -1.88 -0.06 0.00 -1.45 0.00 0.00 41.25 37.86 1lm0 s ASN 35 CO 0.32 -0.48 -0.01 -1.48 -3.72 0.00 0.00 177.10 171.72 1lm0 s LEU 36 N 0.54 2.36 0.06 3.21 2.34 -1.26 -4.88 118.68 121.05 1lm0 s LEU 36 Ca 0.13 -1.26 -0.26 0.00 0.06 0.00 0.00 54.13 52.79 1lm0 s LEU 36 Cb -0.21 -0.51 -0.06 0.00 -0.56 0.00 0.00 46.19 44.85 1lm0 s LEU 36 CO -0.04 -0.45 0.82 -0.36 -1.06 0.00 0.00 176.35 175.26 1lm0 s PHE 37 N -3.15 3.76 0.01 3.48 0.40 -1.26 -0.85 117.98 120.37 1lm0 s PHE 37 Ca 0.32 1.57 -0.10 0.00 -0.60 0.00 0.00 56.93 58.11 1lm0 s PHE 37 Cb 0.06 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.71 1lm0 s PHE 37 CO 0.13 0.25 0.21 -0.47 0.70 0.00 0.00 175.22 176.04 1lm0 s TYR 38 N -0.04 -0.01 0.11 0.36 5.04 0.50 -4.93 117.35 118.38 1lm0 s TYR 38 Ca 0.41 -0.09 -0.17 0.00 -2.44 0.00 0.00 57.07 54.78 1lm0 s TYR 38 Cb -0.21 -0.00 -0.07 0.00 0.35 0.00 0.00 41.96 42.03 1lm0 s TYR 38 CO 0.25 -0.38 0.56 0.95 -1.34 0.00 0.00 175.55 175.59 1lm0 s THR 39 N -1.88 4.80 0.26 4.34 -4.23 -1.26 -0.74 115.64 116.93 1lm0 s THR 39 Ca -0.10 1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 1lm0 s THR 39 Cb -0.04 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.23 1lm0 s THR 39 CO -0.00 0.40 1.83 1.55 -0.54 0.00 0.00 174.62 177.86 1lm0 h PRO 40 N 4.05 0.87 -1.09 3.99 0.13 -1.87 -0.32 132.00 137.77 1lm0 h PRO 40 Ca -0.49 -0.05 0.30 0.00 -0.87 0.00 0.00 66.00 64.89 1lm0 h PRO 40 Cb 1.20 -0.20 -0.11 0.00 0.13 0.00 0.00 31.00 32.03 1lm0 h PRO 40 CO 0.64 0.58 0.69 1.03 -0.23 0.00 0.00 178.00 180.71 1lm0 h SER 41 N 0.90 0.44 0.59 1.44 0.87 -1.90 -0.89 113.55 114.99 1lm0 h SER 41 Ca 0.43 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 61.07 1lm0 h SER 41 Cb 0.38 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1lm0 h SER 41 CO -0.24 0.02 -0.28 -0.08 -0.53 0.00 0.00 176.83 175.71 1lm0 h GLU 42 N 0.35 -0.76 0.00 2.24 4.57 -1.44 -3.34 114.58 116.19 1lm0 h GLU 42 Ca 0.65 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.89 1lm0 h GLU 42 Cb 1.70 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.46 1lm0 h GLU 42 CO -0.36 -0.48 0.00 0.44 -1.18 0.00 0.00 179.01 177.43 1lm0 n ILE 43 N -5.31 0.00 -0.06 2.32 -5.35 -0.39 -1.91 119.36 108.67 1lm0 n ILE 43 Ca -0.11 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1lm0 n ILE 43 Cb 0.33 -0.43 -0.15 0.00 -1.74 0.00 0.00 39.64 37.65 1lm0 n ILE 43 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1lm0 n VAL 44 N -0.76 1.24 0.00 7.28 0.24 -0.93 -0.70 118.33 124.70 1lm0 n VAL 44 Ca 0.08 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1lm0 n VAL 44 Cb 0.04 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1lm0 n ASN 45 N -2.77 0.00 -2.96 -1.34 3.02 -0.80 -4.60 115.26 105.81 1lm0 n ASN 45 Ca -0.23 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.06 1lm0 n ASN 45 Cb 1.03 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.16 1lm0 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm0 n GLY 46 N 2.85 5.39 0.00 7.41 0.00 -1.26 -4.59 105.19 115.00 1lm0 n GLY 46 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.19 0.00 -0.19 1.61 5.02 -1.26 -4.53 118.16 118.61 1lm0 n LYS 47 Ca 0.30 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.55 1lm0 n LYS 47 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.39 1lm0 n LYS 47 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1lm0 n THR 48 N 0.00 -0.31 -0.28 -0.18 -1.04 -1.24 -0.46 114.28 110.78 1lm0 n THR 48 Ca 0.00 1.09 0.11 0.00 -2.04 0.00 0.00 64.05 63.21 1lm0 n THR 48 Cb 0.00 -1.35 0.36 0.00 -1.82 0.00 0.00 70.33 67.52 1lm0 n THR 48 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1lm0 h ASP 49 N 0.00 0.69 0.81 8.00 3.58 -1.09 0.12 116.42 128.53 1lm0 h ASP 49 Ca 0.07 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 1lm0 h ASP 49 Cb 0.19 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1lm0 h ASP 49 CO -0.42 0.35 -1.23 0.41 -2.88 0.00 0.00 179.24 175.47 1lm0 n THR 50 N -4.57 0.75 -2.32 2.25 -1.04 0.07 -4.69 114.28 104.73 1lm0 n THR 50 Ca 0.17 -0.59 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 1lm0 n THR 50 Cb 0.45 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 1.26 -0.01 0.06 3.41 0.00 0.41 -4.96 105.19 105.36 1lm0 n GLY 51 Ca -0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1lm0 n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1lm0 h VAL 52 N -0.20 0.71 0.00 1.61 -1.51 -1.84 -3.43 116.25 111.59 1lm0 h VAL 52 Ca -0.25 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 1lm0 h VAL 52 Cb 1.18 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1lm0 h VAL 52 CO 0.28 0.24 -0.07 0.11 -1.23 0.00 0.00 177.57 176.90 1lm0 h LYS 53 N -1.00 0.00 -6.50 5.19 1.79 -1.85 -3.47 116.57 110.73 1lm0 h LYS 53 Ca -0.02 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.92 1lm0 h LYS 53 Cb 0.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1lm0 h LYS 53 CO -0.01 0.00 0.43 -1.25 -1.08 0.00 0.00 179.45 177.53 1lm0 s PRO 54 N -1.21 4.57 0.72 3.15 0.04 -1.26 -5.05 135.00 135.95 1lm0 s PRO 54 Ca -0.02 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1lm0 s PRO 54 Cb 0.00 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1lm0 s PRO 54 CO 0.03 -0.02 1.10 -1.83 0.04 0.00 0.00 177.00 176.33 1lm0 s GLU 55 N 0.58 2.65 0.75 4.56 -1.05 -1.26 -4.58 118.70 120.35 1lm0 s GLU 55 Ca 0.52 0.34 -0.11 0.00 -0.15 0.00 0.00 54.97 55.57 1lm0 s GLU 55 Cb -0.25 -2.02 0.04 0.00 -0.44 0.00 0.00 34.13 31.46 1lm0 s GLU 55 CO 0.30 -1.15 1.08 0.00 0.95 0.00 0.00 175.26 176.44 1lm0 s ALA 56 N -3.39 2.40 0.00 -0.84 0.00 -1.26 -4.19 121.76 114.48 1lm0 s ALA 56 Ca 0.59 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1lm0 s ALA 56 Cb -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1lm0 s ALA 56 CO 0.51 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1lm0 n GLY 57 N -1.45 0.67 3.89 0.00 0.00 0.11 -4.92 105.19 103.48 1lm0 n GLY 57 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.91 3.21 -0.16 1.61 -0.21 -1.26 -4.80 119.66 117.14 1lm0 s GLN 58 Ca 0.00 -0.78 -0.13 0.00 0.02 0.00 0.00 55.36 54.47 1lm0 s GLN 58 Cb 0.00 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 1lm0 s GLN 58 CO 0.00 0.47 0.27 1.03 -2.12 0.00 0.00 175.29 174.94 1lm0 s ARG 59 N -3.44 4.19 0.30 2.91 0.52 -1.26 -0.64 118.95 121.53 1lm0 s ARG 59 Ca 0.33 0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 1lm0 s ARG 59 Cb -0.10 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1lm0 s ARG 59 CO 0.27 0.29 0.39 0.96 0.02 0.00 0.00 175.30 177.23 1lm0 s ILE 60 N 0.32 0.00 -0.12 1.52 -4.36 -1.25 -3.80 121.20 113.52 1lm0 s ILE 60 Ca 0.15 -1.67 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1lm0 s ILE 60 Cb -0.13 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 41.09 1lm0 s ILE 60 CO 0.03 0.00 -0.16 -0.13 0.24 0.00 0.00 174.94 174.93 1lm0 s ARG 61 N -3.49 2.31 -0.26 0.37 0.52 -0.03 -3.28 118.95 115.08 1lm0 s ARG 61 Ca 0.31 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.71 1lm0 s ARG 61 Cb 0.01 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 1lm0 s ARG 61 CO 0.17 -0.07 0.72 0.54 0.02 0.00 0.00 175.30 176.68 1lm0 s VAL 62 N 1.01 4.91 -0.17 3.52 0.11 0.71 -0.37 120.40 130.12 1lm0 s VAL 62 Ca -0.06 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 1lm0 s VAL 62 Cb -0.15 -4.03 0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1lm0 s VAL 62 CO -0.02 -0.05 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.77 1lm0 s GLY 63 N 1.46 1.11 0.00 6.54 0.00 0.08 -0.39 107.32 116.11 1lm0 s GLY 63 Ca 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1lm0 s GLY 63 CO 0.09 0.76 0.00 0.61 0.00 0.00 0.00 173.10 174.56 1lm0 n GLY 64 N 4.78 2.63 3.36 0.20 0.00 -1.23 -4.15 105.19 110.78 1lm0 n GLY 64 Ca -0.14 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 1.52 2.51 0.03 1.61 0.23 0.25 -2.95 119.30 122.50 1lm0 s MET 65 Ca 0.00 -0.82 -0.20 0.00 -1.03 0.00 0.00 55.69 53.64 1lm0 s MET 65 Cb 0.00 -2.26 -0.06 0.00 -1.53 0.00 0.00 34.83 30.99 1lm0 s MET 65 CO 0.00 0.49 0.58 0.54 -2.03 0.00 0.00 175.02 174.60 1lm0 s VAL 66 N -0.42 4.83 0.00 5.16 0.11 -0.27 -0.60 120.40 129.22 1lm0 s VAL 66 Ca 0.04 1.23 0.00 0.00 -2.93 0.00 0.00 61.98 60.32 1lm0 s VAL 66 Cb -0.12 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 1lm0 s VAL 66 CO 0.02 0.48 0.12 0.41 -3.33 0.00 0.00 175.10 172.79 1lm0 n THR 67 N 2.27 0.00 0.00 5.04 -1.04 -1.26 -3.73 114.28 115.57 1lm0 n THR 67 Ca -0.08 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1lm0 n THR 67 Cb 0.51 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1lm0 n VAL 68 N -0.39 0.00 -2.69 12.58 3.14 -1.26 -4.50 118.33 125.21 1lm0 n VAL 68 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1lm0 n VAL 68 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.85 1lm0 n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1lm0 n GLY 69 N 0.00 1.51 0.00 7.55 0.00 -1.26 -4.30 105.19 108.69 1lm0 n GLY 69 Ca 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.41 0.78 -4.68 1.61 7.64 -1.26 -4.93 113.62 112.36 1lm0 n SER 70 Ca 0.03 -0.70 -0.44 0.00 1.01 0.00 0.00 58.87 58.77 1lm0 n SER 70 Cb 0.83 1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 65.25 1lm0 n SER 70 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1lm0 n MET 71 N -1.66 2.61 -4.48 1.43 1.56 -1.26 -4.12 117.12 111.19 1lm0 n MET 71 Ca 0.02 0.95 -0.21 0.00 -0.27 0.00 0.00 57.70 58.19 1lm0 n MET 71 Cb 0.36 -2.82 -0.14 0.00 2.15 0.00 0.00 33.22 32.78 1lm0 n MET 71 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1lm0 s VAL 72 N 2.68 1.09 0.20 1.12 -7.23 -0.31 -5.02 120.40 112.94 1lm0 s VAL 72 Ca 0.83 -0.80 0.11 0.00 -1.81 0.00 0.00 61.98 60.31 1lm0 s VAL 72 Cb -0.54 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1lm0 s VAL 72 CO 0.40 0.15 -0.23 0.00 -0.31 0.00 0.00 175.10 175.11 1lm0 s ARG 73 N -0.74 1.49 0.53 4.82 1.70 -1.26 -1.04 118.95 124.45 1lm0 s ARG 73 Ca 0.03 -1.53 -0.17 0.00 -0.47 0.00 0.00 55.73 53.60 1lm0 s ARG 73 Cb -0.07 -1.75 -0.07 0.00 -0.57 0.00 0.00 34.95 32.50 1lm0 s ARG 73 CO 0.00 0.37 1.01 -0.51 -1.08 0.00 0.00 175.30 175.10 1lm0 s ASP 74 N -2.74 6.34 0.57 -2.89 1.11 0.07 -4.95 116.67 114.18 1lm0 s ASP 74 Ca 0.21 1.70 0.26 0.00 0.18 0.00 0.00 52.55 54.90 1lm0 s ASP 74 Cb -0.07 -2.53 1.68 0.00 1.07 0.00 0.00 42.92 43.08 1lm0 s ASP 74 CO 0.10 -0.78 2.22 1.55 1.18 0.00 0.00 175.17 179.44 1lm0 h PRO 75 N 0.91 0.00 -1.20 8.23 0.13 -2.01 0.36 132.00 138.43 1lm0 h PRO 75 Ca -0.47 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.02 1lm0 h PRO 75 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1lm0 h PRO 75 CO 0.60 0.00 0.77 -0.91 -0.23 0.00 0.00 178.00 178.23 1lm0 h ASN 76 N 0.00 0.33 -0.19 1.44 2.35 -1.92 -3.45 115.58 114.13 1lm0 h ASN 76 Ca 0.01 0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1lm0 h ASN 76 Cb 0.03 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1lm0 h ASN 76 CO -0.00 -0.08 -0.07 -1.20 -1.65 0.00 0.00 177.43 174.42 1lm0 n SER 77 N -4.68 -3.57 0.00 5.81 7.64 0.12 -4.86 113.62 114.07 1lm0 n SER 77 Ca 0.32 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1lm0 n SER 77 Cb 1.20 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.45 0.23 -4.72 -3.43 -0.00 -1.26 -4.70 117.00 102.67 1lm0 n LEU 78 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.55 1lm0 n LEU 78 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.53 1lm0 n LEU 78 CO 0.06 0.00 0.71 -1.00 -0.00 0.00 0.00 177.39 177.16 1lm0 s HIS 79 N -1.99 3.68 0.07 1.47 3.76 -1.26 -1.82 115.29 119.19 1lm0 s HIS 79 Ca 0.00 1.68 -0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1lm0 s HIS 79 Cb 0.00 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 1lm0 s HIS 79 CO 0.00 -0.12 -0.04 0.14 -0.85 0.00 0.00 174.74 173.87 1lm0 s VAL 80 N 0.65 0.39 -0.01 -0.90 -7.23 0.15 -0.75 120.40 112.69 1lm0 s VAL 80 Ca 0.51 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 1lm0 s VAL 80 Cb -0.23 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1lm0 s VAL 80 CO 0.29 -0.95 0.15 0.00 -0.31 0.00 0.00 175.10 174.27 1lm0 s GLN 81 N -3.89 0.42 -0.09 4.82 -2.07 -0.21 -1.07 119.66 117.57 1lm0 s GLN 81 Ca 0.09 -0.25 -0.23 0.00 -1.82 0.00 0.00 55.36 53.15 1lm0 s GLN 81 Cb 0.07 0.18 0.05 0.00 -1.09 0.00 0.00 33.01 32.22 1lm0 s GLN 81 CO -0.08 -0.09 0.54 -0.59 -1.32 0.00 0.00 175.29 173.74 1lm0 s PHE 82 N -1.04 -0.51 -0.17 9.60 -0.71 -0.08 -1.16 117.98 123.91 1lm0 s PHE 82 Ca -0.11 1.01 -0.10 0.00 -1.04 0.00 0.00 56.93 56.69 1lm0 s PHE 82 Cb -0.06 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 1lm0 s PHE 82 CO 0.01 -0.44 0.16 0.00 -1.34 0.00 0.00 175.22 173.61 1lm0 s ALA 83 N -0.73 3.72 -0.08 1.99 0.00 -1.26 -0.38 121.76 125.03 1lm0 s ALA 83 Ca -0.08 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1lm0 s ALA 83 Cb -0.03 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1lm0 s ALA 83 CO 0.05 0.26 -0.24 0.08 0.00 0.00 0.00 175.76 175.92 1lm0 s VAL 84 N 0.04 2.15 0.40 0.00 1.01 0.26 -4.07 120.40 120.18 1lm0 s VAL 84 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1lm0 s VAL 84 Cb -0.12 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1lm0 s VAL 84 CO 0.00 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.75 1lm0 n HIS 85 N 3.15 0.47 0.00 5.22 1.44 0.23 -0.50 115.22 125.23 1lm0 n HIS 85 Ca -0.18 -1.87 0.00 0.00 -2.01 0.00 0.00 57.72 53.66 1lm0 n HIS 85 Cb 0.52 -0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.36 1lm0 n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1lm0 n ASP 86 N -1.40 0.00 0.04 4.39 -0.08 -1.26 -0.59 116.55 117.66 1lm0 n ASP 86 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1lm0 n ASP 86 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1lm0 n ASP 86 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1lm0 n SER 87 N -1.84 -0.68 -1.39 1.67 2.88 -1.26 -4.71 113.62 108.28 1lm0 n SER 87 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1lm0 n SER 87 Cb 0.00 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 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 -2.63 3.28 -1.81 2.46 4.32 -1.26 -4.67 117.00 116.70 1lm0 n LEU 88 Ca 0.00 -1.52 -0.19 0.00 -0.02 0.00 0.00 56.01 54.28 1lm0 n LEU 88 Cb 0.00 -0.66 -0.06 0.00 -1.62 0.00 0.00 43.42 41.08 1lm0 n LEU 88 CO 0.00 0.60 -0.20 0.61 -1.22 0.00 0.00 177.39 177.18 1lm0 n GLY 89 N 1.25 1.13 2.31 -0.72 0.00 -1.26 -4.84 105.19 103.06 1lm0 n GLY 89 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 4.30 3.56 -0.02 0.00 -1.26 -4.90 105.19 106.33 1lm0 n GLY 90 Ca -0.20 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1lm0 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm0 s GLU 91 N 1.47 2.55 0.27 1.61 2.02 -1.26 -4.21 118.70 121.16 1lm0 s GLU 91 Ca 0.67 1.22 -0.05 0.00 0.02 0.00 0.00 54.97 56.83 1lm0 s GLU 91 Cb 0.20 -4.45 -0.05 0.00 0.10 0.00 0.00 34.13 29.93 1lm0 s GLU 91 CO -0.06 -2.78 0.54 -1.50 0.02 0.00 0.00 175.26 171.47 1lm0 s ILE 92 N 10.05 5.03 -0.18 -1.63 -1.16 0.34 -4.88 121.20 128.78 1lm0 s ILE 92 Ca 0.86 0.06 -0.08 0.00 -0.51 0.00 0.00 60.65 60.98 1lm0 s ILE 92 Cb -0.18 -3.72 -0.04 0.00 0.61 0.00 0.00 42.46 39.13 1lm0 s ILE 92 CO 0.26 -0.28 0.08 -0.76 -2.81 0.00 0.00 174.94 171.43 1lm0 s LEU 93 N -3.45 3.91 -0.06 8.50 1.43 -1.26 -0.58 118.68 127.17 1lm0 s LEU 93 Ca 0.44 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1lm0 s LEU 93 Cb -0.11 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1lm0 s LEU 93 CO 0.29 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 176.21 1lm0 s VAL 94 N 0.20 2.78 0.09 -1.59 1.01 0.49 -3.61 120.40 119.77 1lm0 s VAL 94 Ca 0.05 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1lm0 s VAL 94 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1lm0 s VAL 94 CO 0.00 0.57 -0.07 0.42 0.00 0.00 0.00 175.10 176.02 1lm0 s THR 95 N -0.42 3.55 -0.18 3.92 -4.23 0.49 -0.90 115.64 117.87 1lm0 s THR 95 Ca 0.05 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1lm0 s THR 95 Cb -0.12 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1lm0 s THR 95 CO 0.02 0.15 0.28 -0.47 -0.54 0.00 0.00 174.62 174.06 1lm0 s TYR 96 N -1.21 -0.48 -0.51 3.99 6.14 -0.23 -1.43 117.35 123.62 1lm0 s TYR 96 Ca 0.22 0.73 -0.02 0.00 0.64 0.00 0.00 57.07 58.64 1lm0 s TYR 96 Cb -0.11 -0.11 0.33 0.00 0.42 0.00 0.00 41.96 42.49 1lm0 s TYR 96 CO 0.14 -0.52 2.05 -0.40 0.64 0.00 0.00 175.55 177.46 1lm0 n ASP 97 N 5.35 7.12 -3.53 4.32 5.75 -1.26 -0.67 116.55 133.62 1lm0 n ASP 97 Ca -0.06 -3.45 -0.04 0.00 -0.01 0.00 0.00 54.79 51.24 1lm0 n ASP 97 Cb 0.50 -1.03 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1lm0 s ASP 98 N -0.84 -0.09 0.59 -1.12 -1.08 -0.76 -4.71 116.67 108.67 1lm0 s ASP 98 Ca 0.49 -0.58 -0.17 0.00 -0.52 0.00 0.00 52.55 51.77 1lm0 s ASP 98 Cb 0.38 0.52 -0.03 0.00 -1.46 0.00 0.00 42.92 42.33 1lm0 s ASP 98 CO -0.02 -1.00 1.10 -0.76 0.52 0.00 0.00 175.17 175.01 1lm0 s LEU 99 N -3.14 3.58 0.07 -1.34 1.02 -1.24 -4.58 118.68 113.04 1lm0 s LEU 99 Ca 0.16 2.03 0.01 0.00 0.02 0.00 0.00 54.13 56.35 1lm0 s LEU 99 Cb -0.02 -4.56 -0.04 0.00 0.02 0.00 0.00 46.19 41.59 1lm0 s LEU 99 CO 0.04 -1.34 0.19 -0.76 0.02 0.00 0.00 176.35 174.50 1lm0 s LEU 100 N -4.30 4.23 0.41 1.79 2.01 -1.26 -5.08 118.68 116.48 1lm0 s LEU 100 Ca 0.69 0.20 -0.27 0.00 0.01 0.00 0.00 54.13 54.75 1lm0 s LEU 100 Cb -0.21 -2.85 -0.10 0.00 0.01 0.00 0.00 46.19 43.05 1lm0 s LEU 100 CO 0.34 0.16 1.46 -2.16 1.01 0.00 0.00 176.35 177.15 1lm0 s PRO 101 N -2.56 3.92 -1.61 1.29 0.04 -1.26 -2.96 135.00 131.87 1lm0 s PRO 101 Ca 0.34 2.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.81 1lm0 s PRO 101 Cb -0.13 -2.83 0.07 0.00 0.04 0.00 0.00 34.50 31.66 1lm0 s PRO 101 CO 0.27 -0.66 0.31 -0.25 0.04 0.00 0.00 177.00 176.71 1lm0 n ASP 102 N 0.16 -0.43 -0.76 6.66 9.92 -1.26 -0.43 116.55 130.41 1lm0 n ASP 102 Ca 0.03 -1.18 -0.06 0.00 -0.53 0.00 0.00 54.79 53.05 1lm0 n ASP 102 Cb 0.40 -2.07 -0.03 0.00 -0.64 0.00 0.00 41.12 38.79 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 -4.42 -0.24 -2.28 0.64 -0.00 -1.15 -3.01 117.00 106.54 1lm0 n LEU 103 Ca -0.18 0.16 -0.04 0.00 -0.00 0.00 0.00 56.01 55.95 1lm0 n LEU 103 Cb 0.62 -1.67 -0.03 0.00 -0.00 0.00 0.00 43.42 42.33 1lm0 n LEU 103 CO 0.85 -0.56 -0.49 0.33 -0.00 0.00 0.00 177.39 177.52 1lm0 n PHE 104 N -1.45 -3.49 -2.59 1.47 7.35 0.42 -4.88 117.46 114.30 1lm0 n PHE 104 Ca -0.06 2.04 -0.43 0.00 -0.76 0.00 0.00 57.45 58.24 1lm0 n PHE 104 Cb 0.32 -3.37 -0.02 0.00 0.35 0.00 0.00 39.48 36.76 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 -0.79 3.80 0.87 -4.13 1.81 -1.17 -5.02 118.95 114.32 1lm0 s ARG 105 Ca -0.19 0.73 -0.11 0.00 -1.72 0.00 0.00 55.73 54.44 1lm0 s ARG 105 Cb 0.01 -3.87 0.16 0.00 -0.45 0.00 0.00 34.95 30.79 1lm0 s ARG 105 CO 0.50 -1.28 1.20 -1.21 -0.68 0.00 0.00 175.30 173.84 1lm0 s GLU 106 N 4.29 1.17 -1.16 3.54 2.02 -1.26 -4.52 118.70 122.78 1lm0 s GLU 106 Ca 0.48 -0.50 -0.07 0.00 0.02 0.00 0.00 54.97 54.91 1lm0 s GLU 106 Cb -0.09 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 32.15 1lm0 s GLU 106 CO 0.28 -1.99 0.88 0.41 0.02 0.00 0.00 175.26 174.86 1lm0 n GLY 107 N -3.42 -0.29 3.78 -1.39 0.00 -1.24 -4.97 105.19 97.65 1lm0 n GLY 107 Ca 0.14 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.97 2.19 -0.14 1.61 -2.07 -1.25 -5.01 119.66 109.02 1lm0 s GLN 108 Ca 0.44 -1.44 -0.09 0.00 -1.82 0.00 0.00 55.36 52.44 1lm0 s GLN 108 Cb -0.19 0.61 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 1lm0 s GLN 108 CO 0.54 -1.01 0.18 0.20 -1.32 0.00 0.00 175.29 173.87 1lm0 s GLY 109 N -3.08 2.16 0.03 2.60 0.00 -1.26 -1.12 107.32 106.65 1lm0 s GLY 109 Ca 0.16 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.30 1lm0 s GLY 109 CO 0.12 -0.08 -0.05 -0.26 0.00 0.00 0.00 173.10 172.82 1lm0 s ILE 110 N -0.44 0.34 -0.20 0.90 -5.25 -1.15 -3.75 121.20 111.65 1lm0 s ILE 110 Ca 0.14 -0.95 -0.03 0.00 -0.99 0.00 0.00 60.65 58.82 1lm0 s ILE 110 Cb -0.12 -0.43 -0.01 0.00 2.95 0.00 0.00 42.46 44.84 1lm0 s ILE 110 CO 0.03 -0.41 -0.06 0.68 -1.79 0.00 0.00 174.94 173.39 1lm0 s VAL 111 N -1.33 3.33 -0.14 8.37 -7.23 -0.10 -3.55 120.40 119.75 1lm0 s VAL 111 Ca -0.12 -0.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1lm0 s VAL 111 Cb -0.09 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1lm0 s VAL 111 CO -0.00 0.45 -0.07 0.00 -0.31 0.00 0.00 175.10 175.17 1lm0 s ALA 112 N 1.16 2.87 0.10 1.32 0.00 0.47 -0.65 121.76 127.04 1lm0 s ALA 112 Ca 0.02 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.21 1lm0 s ALA 112 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1lm0 s ALA 112 CO -0.01 0.27 -0.21 -1.14 0.00 0.00 0.00 175.76 174.67 1lm0 s GLN 113 N 0.20 1.11 0.00 0.00 -0.44 0.67 -0.21 119.66 121.00 1lm0 s GLN 113 Ca -0.04 -1.16 0.00 0.00 -2.50 0.00 0.00 55.36 51.66 1lm0 s GLN 113 Cb -0.14 -1.37 0.00 0.00 -1.64 0.00 0.00 33.01 29.85 1lm0 s GLN 113 CO 0.04 0.32 0.00 0.41 0.50 0.00 0.00 175.29 176.56 1lm0 n GLY 114 N 1.09 -0.28 3.15 2.59 0.00 -1.21 -0.65 105.19 109.88 1lm0 n GLY 114 Ca -0.20 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.09 0.29 1.61 0.11 -0.08 -3.81 120.40 118.61 1lm0 s VAL 115 Ca 0.00 -0.74 -0.25 0.00 -2.93 0.00 0.00 61.98 58.05 1lm0 s VAL 115 Cb 0.00 -0.62 -0.09 0.00 -1.53 0.00 0.00 36.38 34.14 1lm0 s VAL 115 CO 0.00 -0.41 0.90 -0.76 -3.33 0.00 0.00 175.10 171.50 1lm0 s LEU 116 N -1.61 4.39 0.00 2.54 2.01 0.18 -0.42 118.68 125.78 1lm0 s LEU 116 Ca -0.11 1.77 0.00 0.00 0.01 0.00 0.00 54.13 55.79 1lm0 s LEU 116 Cb -0.05 -3.85 0.00 0.00 0.01 0.00 0.00 46.19 42.30 1lm0 s LEU 116 CO 0.00 -0.01 0.16 0.61 1.01 0.00 0.00 176.35 178.12 1lm0 n GLY 117 N 0.76 0.94 2.69 -3.19 0.00 -1.24 0.05 105.19 105.19 1lm0 n GLY 117 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lm0 n GLU 118 N 0.00 1.66 -2.61 1.61 4.71 -1.23 -4.95 120.64 119.82 1lm0 n GLU 118 Ca 0.00 -3.48 0.00 0.00 -0.01 0.00 0.00 57.16 53.67 1lm0 n GLU 118 Cb 0.47 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1lm0 n GLU 118 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1lm0 n ASP 119 N -0.34 0.00 0.00 1.62 2.03 -1.26 -0.86 116.55 117.74 1lm0 n ASP 119 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1lm0 n ASP 119 Cb 0.81 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm0 n GLY 120 N -0.60 4.06 3.97 0.27 0.00 -1.26 -4.97 105.19 106.66 1lm0 n GLY 120 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 3.15 -0.08 1.61 3.01 -0.04 -4.23 119.74 123.16 1lm0 s LYS 121 Ca 0.00 -0.72 0.04 0.00 -1.01 0.00 0.00 55.97 54.28 1lm0 s LYS 121 Cb 0.00 -2.71 -0.00 0.00 -1.01 0.00 0.00 37.83 34.11 1lm0 s LYS 121 CO 0.00 -0.04 -0.22 -0.51 0.51 0.00 0.00 175.35 175.09 1lm0 s LEU 122 N -4.33 2.01 -0.88 3.17 1.02 -1.24 -3.49 118.68 114.94 1lm0 s LEU 122 Ca 0.45 -0.50 -0.15 0.00 0.02 0.00 0.00 54.13 53.96 1lm0 s LEU 122 Cb -0.10 -1.28 0.20 0.00 0.02 0.00 0.00 46.19 45.03 1lm0 s LEU 122 CO 0.34 0.16 0.90 0.00 0.02 0.00 0.00 176.35 177.77 1lm0 s ALA 123 N 0.24 3.94 -0.75 4.21 0.00 0.45 -0.38 121.76 129.46 1lm0 s ALA 123 Ca -0.13 -3.22 -0.06 0.00 0.00 0.00 0.00 51.96 48.55 1lm0 s ALA 123 Cb -0.16 -3.67 0.19 0.00 0.00 0.00 0.00 23.12 19.48 1lm0 s ALA 123 CO 0.06 -2.47 0.62 0.00 0.00 0.00 0.00 175.76 173.98 1lm0 s ALA 124 N 0.75 3.90 -1.81 0.00 0.00 -0.51 -0.90 121.76 123.18 1lm0 s ALA 124 Ca 0.23 -3.42 0.29 0.00 0.00 0.00 0.00 51.96 49.06 1lm0 s ALA 124 Cb -0.08 -2.98 1.18 0.00 0.00 0.00 0.00 23.12 21.23 1lm0 s ALA 124 CO -0.09 -2.17 1.82 -2.37 0.00 0.00 0.00 175.76 172.95 1lm0 n THR 125 N 3.37 0.00 -3.72 0.00 5.66 -0.68 -4.54 114.28 114.36 1lm0 n THR 125 Ca 0.13 -0.09 -0.36 0.00 -3.05 0.00 0.00 64.05 60.67 1lm0 n THR 125 Cb 0.40 0.04 -0.10 0.00 -1.55 0.00 0.00 70.33 69.12 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 -2.38 2.52 -0.21 1.09 0.41 0.18 -4.98 118.70 115.33 1lm0 s GLU 126 Ca 0.31 -2.46 -0.10 0.00 -0.41 0.00 0.00 54.97 52.31 1lm0 s GLU 126 Cb 0.20 -3.72 -0.05 0.00 -1.78 0.00 0.00 34.13 28.78 1lm0 s GLU 126 CO 0.46 -1.17 0.14 0.14 -0.49 0.00 0.00 175.26 174.34 1lm0 s VAL 127 N 0.05 5.35 -0.18 2.63 -7.23 -1.26 -0.24 120.40 119.53 1lm0 s VAL 127 Ca 0.16 0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 1lm0 s VAL 127 Cb -0.20 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.30 1lm0 s VAL 127 CO -0.03 0.41 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.20 1lm0 s LEU 128 N 0.60 2.13 -0.53 1.32 2.01 0.18 -4.90 118.68 119.47 1lm0 s LEU 128 Ca 0.08 -0.65 -0.18 0.00 0.01 0.00 0.00 54.13 53.39 1lm0 s LEU 128 Cb -0.12 -1.48 0.09 0.00 0.01 0.00 0.00 46.19 44.69 1lm0 s LEU 128 CO 0.00 0.00 0.59 0.00 1.01 0.00 0.00 176.35 177.96 1lm0 s ALA 129 N 1.26 3.46 -0.02 4.21 0.00 -1.26 -0.92 121.76 128.49 1lm0 s ALA 129 Ca 0.04 -2.08 0.03 0.00 0.00 0.00 0.00 51.96 49.95 1lm0 s ALA 129 Cb -0.13 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1lm0 s ALA 129 CO -0.12 -2.08 0.85 0.36 0.00 0.00 0.00 175.76 174.77 1lm0 n LYS 130 N 5.93 1.14 -0.31 0.00 0.00 -1.26 -4.88 118.16 118.77 1lm0 n LYS 130 Ca -0.10 -1.25 0.02 0.00 -0.00 0.00 0.00 58.31 56.99 1lm0 n LYS 130 Cb 0.43 -0.82 0.07 0.00 -0.00 0.00 0.00 35.03 34.71 1lm0 n LYS 130 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1lm0 n HIS 131 N -0.39 0.15 -1.32 5.58 1.44 -1.25 -5.11 115.22 114.31 1lm0 n HIS 131 Ca 0.03 1.03 0.00 0.00 -2.01 0.00 0.00 57.72 56.76 1lm0 n HIS 131 Cb 0.48 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.71 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28