#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 6.26 -0.00 -3.46 -0.87 -1.26 -5.04 114.94 110.56 1lm0 s ASN 33 Ca 0.00 -2.54 -0.03 0.00 -1.57 0.00 0.00 52.86 48.72 1lm0 s ASN 33 Cb 0.00 -2.11 -0.00 0.00 -0.02 0.00 0.00 41.25 39.11 1lm0 s ASN 33 CO 0.00 -0.58 0.07 -0.76 -2.57 0.00 0.00 177.10 173.26 1lm0 s LEU 34 N 0.41 1.81 -0.62 0.60 1.43 -1.26 -5.11 118.68 115.94 1lm0 s LEU 34 Ca 0.15 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 1lm0 s LEU 34 Cb -0.16 0.35 0.04 0.00 0.03 0.00 0.00 46.19 46.45 1lm0 s LEU 34 CO -0.05 -0.22 1.11 0.20 0.23 0.00 0.00 176.35 177.61 1lm0 s ASN 35 N -0.88 6.31 0.11 2.29 -0.87 -1.26 -4.79 114.94 115.85 1lm0 s ASN 35 Ca -0.10 -0.31 0.02 0.00 -1.57 0.00 0.00 52.86 50.90 1lm0 s ASN 35 Cb -0.06 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 1lm0 s ASN 35 CO 0.00 -1.49 0.22 -1.48 -2.57 0.00 0.00 177.10 171.78 1lm0 s LEU 36 N 4.72 4.22 -0.34 0.60 -0.00 -1.26 -4.75 118.68 121.87 1lm0 s LEU 36 Ca 0.34 0.15 -0.22 0.00 -0.00 0.00 0.00 54.13 54.40 1lm0 s LEU 36 Cb -0.10 -2.82 0.00 0.00 -0.00 0.00 0.00 46.19 43.27 1lm0 s LEU 36 CO 0.19 0.11 0.73 -0.36 -0.00 0.00 0.00 176.35 177.02 1lm0 s PHE 37 N -1.63 3.16 0.21 3.48 0.40 -1.26 -0.44 117.98 121.90 1lm0 s PHE 37 Ca 0.34 0.57 0.11 0.00 -0.60 0.00 0.00 56.93 57.35 1lm0 s PHE 37 Cb -0.12 -3.24 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 1lm0 s PHE 37 CO 0.27 -0.63 -0.22 -0.47 0.70 0.00 0.00 175.22 174.86 1lm0 s TYR 38 N 2.91 2.22 0.27 0.36 6.14 0.13 -4.97 117.35 124.41 1lm0 s TYR 38 Ca 0.29 -0.37 -0.18 0.00 0.64 0.00 0.00 57.07 57.45 1lm0 s TYR 38 Cb -0.14 -1.07 -0.09 0.00 0.42 0.00 0.00 41.96 41.08 1lm0 s TYR 38 CO 0.15 0.52 0.74 0.95 0.64 0.00 0.00 175.55 178.54 1lm0 s THR 39 N -1.91 4.61 0.18 4.34 -4.23 -1.26 -0.49 115.64 116.88 1lm0 s THR 39 Ca 0.22 1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 61.75 1lm0 s THR 39 Cb -0.07 -3.75 0.09 0.00 1.34 0.00 0.00 72.50 70.10 1lm0 s THR 39 CO 0.10 0.04 1.85 1.55 -0.54 0.00 0.00 174.62 177.62 1lm0 h PRO 40 N 2.91 0.77 -0.96 3.99 0.13 -1.87 -2.86 132.00 134.10 1lm0 h PRO 40 Ca -0.48 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.72 1lm0 h PRO 40 Cb 1.19 -0.17 -0.13 0.00 0.13 0.00 0.00 31.00 32.01 1lm0 h PRO 40 CO 0.65 0.51 -0.48 -1.13 -0.23 0.00 0.00 178.00 177.32 1lm0 n SER 41 N -4.68 -0.85 0.20 1.44 3.41 -1.24 -1.28 113.62 110.63 1lm0 n SER 41 Ca 0.04 1.70 -0.15 0.00 -0.26 0.00 0.00 58.87 60.21 1lm0 n SER 41 Cb 0.02 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1lm0 n SER 41 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1lm0 h GLU 42 N 0.00 -0.54 0.00 4.33 4.81 -1.86 -2.89 114.58 118.43 1lm0 h GLU 42 Ca 0.23 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1lm0 h GLU 42 Cb 0.48 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1lm0 h GLU 42 CO -0.93 -0.36 0.00 0.44 -0.73 0.00 0.00 179.01 177.43 1lm0 n ILE 43 N -5.37 1.24 0.05 2.32 -5.35 -0.40 -0.19 119.36 111.66 1lm0 n ILE 43 Ca -0.09 0.41 -0.17 0.00 -0.27 0.00 0.00 62.75 62.62 1lm0 n ILE 43 Cb 0.27 -1.32 -0.08 0.00 -1.74 0.00 0.00 39.64 36.77 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1lm0 h VAL 44 N 0.00 1.33 -3.58 7.28 2.07 -1.08 -0.96 116.25 121.31 1lm0 h VAL 44 Ca 0.00 -2.31 -0.74 0.00 0.82 0.00 0.00 66.70 64.47 1lm0 h VAL 44 Cb 0.16 2.38 -0.31 0.00 -1.52 0.00 0.00 31.29 32.00 1lm0 h VAL 44 CO 0.00 0.71 -0.21 0.20 0.02 0.00 0.00 177.57 178.29 1lm0 s ASN 45 N -7.20 5.89 -0.70 0.57 0.01 0.73 -4.54 114.94 109.70 1lm0 s ASN 45 Ca -0.08 -2.57 -0.01 0.00 -0.71 0.00 0.00 52.86 49.48 1lm0 s ASN 45 Cb 0.08 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.72 1lm0 s ASN 45 CO 0.90 -0.52 0.59 0.61 -1.51 0.00 0.00 177.10 177.17 1lm0 n GLY 46 N 4.00 0.03 0.00 0.66 0.00 -1.26 -4.92 105.19 103.69 1lm0 n GLY 46 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.83 0.00 -0.34 1.61 4.76 -1.26 -4.58 118.16 115.52 1lm0 n LYS 47 Ca -0.11 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.30 1lm0 n LYS 47 Cb 0.58 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.77 1lm0 n LYS 47 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1lm0 n THR 48 N 0.00 -0.48 -0.32 -0.18 -1.04 -1.11 -0.50 114.28 110.65 1lm0 n THR 48 Ca 0.00 2.02 0.13 0.00 -2.04 0.00 0.00 64.05 64.16 1lm0 n THR 48 Cb 0.00 -2.62 0.26 0.00 -1.82 0.00 0.00 70.33 66.15 1lm0 n THR 48 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1lm0 n ASP 49 N -5.21 -0.13 -0.49 8.00 -0.08 -0.38 -0.52 116.55 117.74 1lm0 n ASP 49 Ca 0.07 1.57 0.10 0.00 -1.51 0.00 0.00 54.79 55.02 1lm0 n ASP 49 Cb 0.31 -0.56 0.01 0.00 2.34 0.00 0.00 41.12 43.21 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1lm0 n THR 50 N -5.37 0.00 -2.46 5.18 -1.04 0.34 -4.60 114.28 106.33 1lm0 n THR 50 Ca 0.21 -0.31 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 1lm0 n THR 50 Cb 0.69 1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 70.45 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 1.30 -0.50 0.08 3.41 0.00 0.32 -4.88 105.19 104.92 1lm0 n GLY 51 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.05 1.14 0.00 1.61 -1.51 -1.85 -3.45 116.25 112.14 1lm0 h VAL 52 Ca -0.37 -2.90 0.00 0.00 -1.23 0.00 0.00 66.70 62.20 1lm0 h VAL 52 Cb 1.27 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.98 1lm0 h VAL 52 CO 0.44 0.65 0.00 0.29 -1.23 0.00 0.00 177.57 177.72 1lm0 n LYS 53 N -3.15 0.00 -2.01 5.19 5.02 -1.26 -4.99 118.16 116.96 1lm0 n LYS 53 Ca -0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 1lm0 n LYS 53 Cb 0.98 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.97 1lm0 n LYS 53 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1lm0 s PRO 54 N -0.81 4.24 0.94 1.97 0.04 -1.26 -5.02 135.00 135.11 1lm0 s PRO 54 Ca 0.00 2.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1lm0 s PRO 54 Cb 0.00 -3.30 0.15 0.00 0.04 0.00 0.00 34.50 31.39 1lm0 s PRO 54 CO 0.00 -0.59 1.11 -1.21 0.04 0.00 0.00 177.00 176.35 1lm0 s GLU 55 N 1.53 0.90 1.07 4.56 0.41 -1.26 -4.53 118.70 121.38 1lm0 s GLU 55 Ca 0.69 0.48 -0.17 0.00 -0.41 0.00 0.00 54.97 55.56 1lm0 s GLU 55 Cb -0.40 -1.80 0.23 0.00 -1.78 0.00 0.00 34.13 30.38 1lm0 s GLU 55 CO 0.31 -2.40 1.17 0.00 -0.49 0.00 0.00 175.26 173.85 1lm0 s ALA 56 N -3.09 1.28 0.00 5.21 0.00 -1.26 -4.24 121.76 119.66 1lm0 s ALA 56 Ca 0.64 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1lm0 s ALA 56 Cb -0.17 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1lm0 s ALA 56 CO 0.56 -3.00 0.00 0.41 0.00 0.00 0.00 175.76 173.73 1lm0 n GLY 57 N -1.95 1.62 4.00 0.00 0.00 -1.26 -5.05 105.19 102.55 1lm0 n GLY 57 Ca 0.12 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 2.78 -0.20 1.61 -0.21 -1.26 -2.37 119.66 120.01 1lm0 s GLN 58 Ca 0.00 -1.17 -0.25 0.00 0.02 0.00 0.00 55.36 53.96 1lm0 s GLN 58 Cb 0.00 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 1lm0 s GLN 58 CO 0.00 -0.34 0.83 1.03 -2.12 0.00 0.00 175.29 174.69 1lm0 s ARG 59 N -4.41 4.25 0.31 2.91 1.81 -1.26 -0.89 118.95 121.66 1lm0 s ARG 59 Ca 0.55 0.98 -0.06 0.00 -1.72 0.00 0.00 55.73 55.49 1lm0 s ARG 59 Cb -0.10 -3.60 -0.00 0.00 -0.45 0.00 0.00 34.95 30.80 1lm0 s ARG 59 CO 0.34 -0.41 0.46 0.96 -0.68 0.00 0.00 175.30 175.98 1lm0 s ILE 60 N 2.43 0.00 -0.11 1.52 -4.36 -1.26 -4.43 121.20 114.99 1lm0 s ILE 60 Ca 0.37 -1.55 0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1lm0 s ILE 60 Cb -0.16 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.03 1lm0 s ILE 60 CO 0.10 0.00 -0.22 -0.13 0.24 0.00 0.00 174.94 174.93 1lm0 s ARG 61 N -3.35 2.88 -0.21 0.37 0.52 0.42 -3.30 118.95 116.27 1lm0 s ARG 61 Ca 0.28 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.51 1lm0 s ARG 61 Cb -0.00 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1lm0 s ARG 61 CO 0.16 0.07 0.44 0.54 0.02 0.00 0.00 175.30 176.54 1lm0 s VAL 62 N 0.61 5.15 -0.13 3.52 0.11 0.22 -0.70 120.40 129.19 1lm0 s VAL 62 Ca -0.13 0.79 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 1lm0 s VAL 62 Cb -0.17 -3.77 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1lm0 s VAL 62 CO 0.03 0.20 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.02 1lm0 s GLY 63 N 1.18 1.12 0.00 6.54 0.00 0.36 -0.46 107.32 116.06 1lm0 s GLY 63 Ca 0.20 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 44.04 1lm0 s GLY 63 CO 0.09 0.29 0.15 0.61 0.00 0.00 0.00 173.10 174.23 1lm0 n GLY 64 N 4.37 0.75 3.78 0.20 0.00 -0.95 -4.10 105.19 109.24 1lm0 n GLY 64 Ca -0.19 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 4.07 0.27 1.61 0.23 0.38 -1.85 119.30 122.01 1lm0 s MET 65 Ca 0.03 0.29 -0.31 0.00 -1.03 0.00 0.00 55.69 54.68 1lm0 s MET 65 Cb -0.00 -3.32 -0.12 0.00 -1.53 0.00 0.00 34.83 29.86 1lm0 s MET 65 CO 0.00 0.45 1.63 0.28 -2.03 0.00 0.00 175.02 175.36 1lm0 n VAL 66 N 2.73 0.77 0.52 5.16 0.31 0.24 -0.56 118.33 127.51 1lm0 n VAL 66 Ca -0.12 -0.19 0.07 0.00 -0.01 0.00 0.00 64.34 64.08 1lm0 n VAL 66 Cb 0.52 -1.98 0.31 0.00 -0.91 0.00 0.00 33.84 31.79 1lm0 n VAL 66 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1lm0 n THR 67 N 2.60 0.96 -3.90 2.52 5.66 -0.72 -4.18 114.28 117.21 1lm0 n THR 67 Ca 0.10 0.24 -0.26 0.00 -3.05 0.00 0.00 64.05 61.08 1lm0 n THR 67 Cb 0.36 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1lm0 n VAL 68 N -1.47 -3.12 0.00 1.08 3.14 -1.26 -4.76 118.33 111.93 1lm0 n VAL 68 Ca 0.04 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1lm0 n VAL 68 Cb 0.16 -2.90 0.00 0.00 -1.06 0.00 0.00 33.84 30.04 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 -1.77 0.00 0.00 7.55 0.00 -1.26 -4.95 105.19 104.76 1lm0 n GLY 69 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.00 -4.55 1.61 7.64 -1.26 -5.01 113.62 112.05 1lm0 n SER 70 Ca 0.00 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.51 1lm0 n SER 70 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 2.80 -0.03 1.43 1.75 -1.26 -4.06 119.30 119.93 1lm0 s MET 71 Ca 0.00 0.11 0.06 0.00 -1.25 0.00 0.00 55.69 54.61 1lm0 s MET 71 Cb 0.00 -4.56 -0.02 0.00 2.84 0.00 0.00 34.83 33.08 1lm0 s MET 71 CO 0.00 -2.70 -0.19 0.14 -0.65 0.00 0.00 175.02 171.61 1lm0 s VAL 72 N 8.27 2.63 0.08 10.11 -7.23 -0.35 -5.01 120.40 128.90 1lm0 s VAL 72 Ca 0.59 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.90 1lm0 s VAL 72 Cb -0.09 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 1lm0 s VAL 72 CO 0.13 0.56 -0.16 0.00 -0.31 0.00 0.00 175.10 175.32 1lm0 s ARG 73 N -0.74 0.90 0.56 4.82 3.03 -1.26 -0.95 118.95 125.30 1lm0 s ARG 73 Ca 0.11 -1.00 -0.17 0.00 2.03 0.00 0.00 55.73 56.70 1lm0 s ARG 73 Cb -0.10 -0.97 -0.05 0.00 -1.03 0.00 0.00 34.95 32.79 1lm0 s ARG 73 CO 0.00 0.22 1.04 -0.51 -1.13 0.00 0.00 175.30 174.92 1lm0 s ASP 74 N -1.76 6.09 0.55 -2.89 1.11 0.12 -4.94 116.67 114.94 1lm0 s ASP 74 Ca 0.00 1.77 0.27 0.00 0.18 0.00 0.00 52.55 54.77 1lm0 s ASP 74 Cb -0.10 -2.53 1.57 0.00 1.07 0.00 0.00 42.92 42.93 1lm0 s ASP 74 CO 0.03 -0.96 2.15 1.55 1.18 0.00 0.00 175.17 179.12 1lm0 h PRO 75 N 0.73 0.00 -1.17 8.23 0.13 -2.01 0.68 132.00 138.59 1lm0 h PRO 75 Ca -0.47 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.03 1lm0 h PRO 75 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1lm0 h PRO 75 CO 0.59 0.07 0.74 -0.91 -0.23 0.00 0.00 178.00 178.25 1lm0 h ASN 76 N 0.00 0.35 -0.69 1.44 2.35 -1.93 -3.45 115.58 113.64 1lm0 h ASN 76 Ca -0.00 0.14 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1lm0 h ASN 76 Cb 0.18 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1lm0 h ASN 76 CO 0.01 -0.12 -0.17 -1.20 -1.65 0.00 0.00 177.43 174.30 1lm0 n SER 77 N -4.77 -3.49 0.00 5.81 7.64 0.23 -4.85 113.62 114.18 1lm0 n SER 77 Ca 0.33 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1lm0 n SER 77 Cb 1.20 -2.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 -0.99 0.46 -4.71 -3.43 -0.00 -1.26 -4.76 117.00 102.30 1lm0 n LEU 78 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.51 1lm0 n LEU 78 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.78 1lm0 n LEU 78 CO 0.12 0.03 0.84 -1.00 -0.00 0.00 0.00 177.39 177.37 1lm0 s HIS 79 N -1.98 3.49 -0.05 1.47 3.76 -1.26 -3.42 115.29 117.30 1lm0 s HIS 79 Ca 0.00 1.39 -0.02 0.00 -0.15 0.00 0.00 55.06 56.28 1lm0 s HIS 79 Cb 0.00 -3.35 0.03 0.00 1.11 0.00 0.00 32.58 30.37 1lm0 s HIS 79 CO 0.00 -0.99 0.11 0.14 -0.85 0.00 0.00 174.74 173.14 1lm0 s VAL 80 N 1.00 -0.05 0.02 -0.90 -7.23 0.21 -0.70 120.40 112.75 1lm0 s VAL 80 Ca 0.57 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1lm0 s VAL 80 Cb -0.28 -0.19 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 1lm0 s VAL 80 CO 0.29 0.07 -0.03 0.00 -0.31 0.00 0.00 175.10 175.12 1lm0 s GLN 81 N 1.03 0.28 0.11 4.82 -2.07 -0.13 -0.58 119.66 123.12 1lm0 s GLN 81 Ca -0.08 -0.44 -0.11 0.00 -1.82 0.00 0.00 55.36 52.90 1lm0 s GLN 81 Cb -0.11 -0.03 0.01 0.00 -1.09 0.00 0.00 33.01 31.79 1lm0 s GLN 81 CO -0.05 -0.01 0.28 -0.59 -1.32 0.00 0.00 175.29 173.60 1lm0 s PHE 82 N -0.96 0.05 -0.05 9.60 -0.12 -0.04 -1.22 117.98 125.24 1lm0 s PHE 82 Ca -0.09 -0.43 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 1lm0 s PHE 82 Cb -0.07 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1lm0 s PHE 82 CO -0.00 -0.62 -0.17 0.00 -0.05 0.00 0.00 175.22 174.38 1lm0 s ALA 83 N -3.85 2.54 -0.03 1.99 0.00 -1.26 -0.34 121.76 120.81 1lm0 s ALA 83 Ca 0.05 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1lm0 s ALA 83 Cb 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1lm0 s ALA 83 CO -0.10 0.51 -0.16 0.54 0.00 0.00 0.00 175.76 176.55 1lm0 s VAL 84 N -0.55 1.30 0.35 0.00 0.11 -0.18 -1.76 120.40 119.67 1lm0 s VAL 84 Ca 0.08 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1lm0 s VAL 84 Cb -0.11 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1lm0 s VAL 84 CO 0.01 0.37 0.11 -1.38 -3.33 0.00 0.00 175.10 170.88 1lm0 s HIS 85 N -0.17 1.79 0.00 1.54 -3.43 0.27 -0.67 115.29 114.63 1lm0 s HIS 85 Ca 0.02 -1.19 0.00 0.00 -0.80 0.00 0.00 55.06 53.09 1lm0 s HIS 85 Cb -0.09 -1.13 0.00 0.00 -1.43 0.00 0.00 32.58 29.94 1lm0 s HIS 85 CO 0.01 -0.24 0.00 -3.47 -2.00 0.00 0.00 174.74 169.03 1lm0 n ASP 86 N -0.98 1.47 -0.46 7.38 2.03 -1.24 -0.47 116.55 124.28 1lm0 n ASP 86 Ca -0.03 -0.29 -0.06 0.00 0.52 0.00 0.00 54.79 54.93 1lm0 n ASP 86 Cb 0.66 0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 41.91 1lm0 n ASP 86 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1lm0 n SER 87 N -1.02 -5.30 -0.09 1.67 7.64 -1.26 -4.87 113.62 110.38 1lm0 n SER 87 Ca 0.00 0.15 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1lm0 n SER 87 Cb 0.00 -3.32 -0.14 0.00 -1.01 0.00 0.00 64.21 59.74 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lm0 n LEU 88 N -0.68 1.44 0.00 -3.43 4.32 -1.26 -4.94 117.00 112.46 1lm0 n LEU 88 Ca -0.06 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1lm0 n LEU 88 Cb 0.46 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1lm0 n LEU 88 CO 0.09 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 1lm0 n GLY 89 N 1.94 -0.11 0.00 -0.72 0.00 -1.26 -5.06 105.19 99.97 1lm0 n GLY 89 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.02 0.65 3.38 -0.02 0.00 -1.26 -5.01 105.19 102.95 1lm0 n GLY 90 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1lm0 n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1lm0 s GLU 91 N -1.38 1.39 0.27 1.61 -1.05 -1.26 -3.65 118.70 114.62 1lm0 s GLU 91 Ca 0.00 -1.37 0.10 0.00 -0.15 0.00 0.00 54.97 53.54 1lm0 s GLU 91 Cb 0.00 -1.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1lm0 s GLU 91 CO 0.00 0.41 -0.01 0.42 0.95 0.00 0.00 175.26 177.03 1lm0 s ILE 92 N -1.27 3.42 -0.15 1.83 -1.09 0.16 -4.86 121.20 119.23 1lm0 s ILE 92 Ca 0.15 -1.93 0.01 0.00 -2.23 0.00 0.00 60.65 56.65 1lm0 s ILE 92 Cb -0.09 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.96 1lm0 s ILE 92 CO 0.07 -0.38 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.46 1lm0 s LEU 93 N -3.67 2.29 -0.06 2.97 1.43 -1.26 -1.01 118.68 119.37 1lm0 s LEU 93 Ca 0.31 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1lm0 s LEU 93 Cb -0.06 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1lm0 s LEU 93 CO 0.20 0.07 -0.14 -0.69 0.23 0.00 0.00 176.35 176.02 1lm0 s VAL 94 N 0.89 3.08 0.19 -1.59 1.01 0.54 -2.78 120.40 121.74 1lm0 s VAL 94 Ca -0.04 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1lm0 s VAL 94 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1lm0 s VAL 94 CO -0.03 0.58 -0.04 0.42 0.00 0.00 0.00 175.10 176.04 1lm0 s THR 95 N -0.56 3.47 -0.17 3.92 -4.23 0.38 -0.86 115.64 117.59 1lm0 s THR 95 Ca 0.08 -1.57 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 1lm0 s THR 95 Cb -0.11 -2.75 0.06 0.00 1.34 0.00 0.00 72.50 71.03 1lm0 s THR 95 CO 0.01 -0.14 0.42 -0.47 -0.54 0.00 0.00 174.62 173.91 1lm0 s TYR 96 N -1.78 -0.58 -2.29 3.99 5.04 0.25 -1.21 117.35 120.77 1lm0 s TYR 96 Ca 0.27 1.28 0.19 0.00 -2.44 0.00 0.00 57.07 56.36 1lm0 s TYR 96 Cb -0.09 0.25 0.19 0.00 0.35 0.00 0.00 41.96 42.66 1lm0 s TYR 96 CO 0.17 -0.32 1.14 -0.40 -1.34 0.00 0.00 175.55 174.80 1lm0 n ASP 97 N 3.91 2.69 -4.57 4.32 5.75 -1.26 -0.62 116.55 126.77 1lm0 n ASP 97 Ca -0.21 -1.81 -0.26 0.00 -0.01 0.00 0.00 54.79 52.49 1lm0 n ASP 97 Cb 0.56 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1lm0 n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1lm0 s ASP 98 N -1.52 3.72 0.47 -1.12 1.01 -1.22 -4.15 116.67 113.86 1lm0 s ASP 98 Ca 0.24 -1.26 -0.24 0.00 0.71 0.00 0.00 52.55 52.00 1lm0 s ASP 98 Cb 0.16 -0.36 -0.07 0.00 1.01 0.00 0.00 42.92 43.67 1lm0 s ASP 98 CO 0.24 -0.30 1.34 -0.76 0.21 0.00 0.00 175.17 175.90 1lm0 s LEU 99 N -3.64 4.04 0.79 1.23 1.02 -1.22 -4.63 118.68 116.27 1lm0 s LEU 99 Ca 0.33 2.73 -0.11 0.00 0.02 0.00 0.00 54.13 57.10 1lm0 s LEU 99 Cb 0.05 -4.07 0.06 0.00 0.02 0.00 0.00 46.19 42.25 1lm0 s LEU 99 CO 0.17 -1.19 1.09 -0.76 0.02 0.00 0.00 176.35 175.67 1lm0 s LEU 100 N -2.95 2.78 0.00 1.79 1.43 -1.26 -5.07 118.68 115.40 1lm0 s LEU 100 Ca 0.64 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1lm0 s LEU 100 Cb -0.39 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1lm0 s LEU 100 CO 0.49 -2.02 0.00 -0.81 0.23 0.00 0.00 176.35 174.24 1lm0 n PRO 101 N -3.49 0.00 -0.60 1.29 -0.04 -1.26 -4.26 135.00 126.63 1lm0 n PRO 101 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1lm0 n PRO 101 Cb 0.54 -0.13 -0.07 0.00 -0.04 0.00 0.00 33.50 33.81 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 4.27 0.00 3.54 9.92 -1.26 -4.70 116.55 128.33 1lm0 n ASP 102 Ca 0.00 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.05 1lm0 n ASP 102 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1lm0 n ASP 102 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1lm0 n LEU 103 N 2.09 0.00 -2.46 0.64 7.94 -1.26 -3.14 117.00 120.82 1lm0 n LEU 103 Ca 0.17 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.06 1lm0 n LEU 103 Cb 0.57 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1lm0 n LEU 103 CO 0.07 0.00 -0.32 0.33 -1.11 0.00 0.00 177.39 176.37 1lm0 n PHE 104 N -1.89 -3.05 -2.61 1.96 7.35 -1.26 -4.89 117.46 113.07 1lm0 n PHE 104 Ca 0.00 1.33 -0.41 0.00 -0.76 0.00 0.00 57.45 57.61 1lm0 n PHE 104 Cb 0.00 -3.47 -0.04 0.00 0.35 0.00 0.00 39.48 36.32 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 -1.43 4.62 0.35 -4.13 3.00 -1.19 -5.00 118.95 115.18 1lm0 s ARG 105 Ca 0.03 1.59 -0.21 0.00 0.00 0.00 0.00 55.73 57.14 1lm0 s ARG 105 Cb -0.01 -3.34 -0.10 0.00 0.00 0.00 0.00 34.95 31.50 1lm0 s ARG 105 CO 0.61 0.09 0.87 -1.21 0.00 0.00 0.00 175.30 175.66 1lm0 s GLU 106 N 0.02 4.27 -0.44 3.54 8.01 -1.26 -4.14 118.70 128.70 1lm0 s GLU 106 Ca 0.49 1.04 -0.01 0.00 0.01 0.00 0.00 54.97 56.50 1lm0 s GLU 106 Cb -0.26 -2.48 0.00 0.00 -4.31 0.00 0.00 34.13 27.08 1lm0 s GLU 106 CO 0.32 0.14 0.37 0.41 0.01 0.00 0.00 175.26 176.51 1lm0 n GLY 107 N -0.11 0.21 3.32 -1.39 0.00 -1.26 -4.98 105.19 100.99 1lm0 n GLY 107 Ca 0.04 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.70 1.75 -0.14 1.61 -2.07 -1.26 -4.98 119.66 109.87 1lm0 s GLN 108 Ca 0.05 -2.02 -0.05 0.00 -1.82 0.00 0.00 55.36 51.52 1lm0 s GLN 108 Cb -0.02 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1lm0 s GLN 108 CO 0.26 -0.60 0.03 0.20 -1.32 0.00 0.00 175.29 173.86 1lm0 s GLY 109 N -3.40 1.88 0.09 2.60 0.00 -1.26 -0.59 107.32 106.64 1lm0 s GLY 109 Ca 0.37 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.34 1lm0 s GLY 109 CO 0.24 -0.21 -0.06 -0.26 0.00 0.00 0.00 173.10 172.81 1lm0 s ILE 110 N -0.18 0.58 -0.19 0.90 -5.25 -0.77 -3.28 121.20 113.01 1lm0 s ILE 110 Ca 0.06 -1.91 -0.01 0.00 -0.99 0.00 0.00 60.65 57.81 1lm0 s ILE 110 Cb -0.12 -1.64 0.01 0.00 2.95 0.00 0.00 42.46 43.65 1lm0 s ILE 110 CO 0.02 -0.90 -0.14 0.68 -1.79 0.00 0.00 174.94 172.80 1lm0 s VAL 111 N -3.70 2.56 -0.25 8.37 -7.23 -0.10 -2.23 120.40 117.82 1lm0 s VAL 111 Ca 0.11 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.48 1lm0 s VAL 111 Cb 0.06 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.90 1lm0 s VAL 111 CO -0.06 0.50 -0.04 0.00 -0.31 0.00 0.00 175.10 175.19 1lm0 s ALA 112 N 1.31 2.77 -0.03 1.32 0.00 0.39 -0.35 121.76 127.16 1lm0 s ALA 112 Ca 0.04 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.64 1lm0 s ALA 112 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1lm0 s ALA 112 CO -0.08 -0.77 -0.19 -1.14 0.00 0.00 0.00 175.76 173.58 1lm0 s GLN 113 N 1.37 2.32 0.00 0.00 -0.44 0.09 -0.61 119.66 122.39 1lm0 s GLN 113 Ca 0.01 -0.80 0.00 0.00 -2.50 0.00 0.00 55.36 52.07 1lm0 s GLN 113 Cb -0.16 -2.25 0.00 0.00 -1.64 0.00 0.00 33.01 28.96 1lm0 s GLN 113 CO -0.03 0.59 0.00 0.41 0.50 0.00 0.00 175.29 176.76 1lm0 n GLY 114 N 2.26 -0.60 3.43 2.59 0.00 -1.21 -0.68 105.19 110.98 1lm0 n GLY 114 Ca -0.17 0.60 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 1.49 0.02 0.62 1.61 0.11 0.14 -4.27 120.40 120.12 1lm0 s VAL 115 Ca 0.00 -0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 1lm0 s VAL 115 Cb 0.00 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1lm0 s VAL 115 CO 0.00 -0.08 1.24 -0.76 -3.33 0.00 0.00 175.10 172.17 1lm0 s LEU 116 N -1.01 3.60 0.00 2.54 1.02 -0.07 -0.29 118.68 124.48 1lm0 s LEU 116 Ca -0.10 2.47 0.00 0.00 0.02 0.00 0.00 54.13 56.52 1lm0 s LEU 116 Cb -0.02 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.58 1lm0 s LEU 116 CO 0.07 -1.80 0.00 0.61 0.02 0.00 0.00 176.35 175.25 1lm0 n GLY 117 N 0.63 0.06 0.03 -3.19 0.00 -0.55 -4.56 105.19 97.60 1lm0 n GLY 117 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lm0 h GLU 118 N 0.00 -0.05 0.00 1.61 4.81 -1.94 -3.45 114.58 115.56 1lm0 h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1lm0 h GLU 118 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1lm0 h GLU 118 CO 0.00 -0.03 0.00 -3.47 -0.73 0.00 0.00 179.01 174.78 1lm0 n ASP 119 N -2.37 0.00 0.26 1.04 2.03 -1.26 -4.87 116.55 111.39 1lm0 n ASP 119 Ca -0.01 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.44 1lm0 n ASP 119 Cb 0.02 0.37 0.71 0.00 -0.72 0.00 0.00 41.12 41.50 1lm0 n ASP 119 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1lm0 h GLY 120 N 0.00 0.00 -7.28 0.27 0.00 -1.81 -3.40 103.07 90.85 1lm0 h GLY 120 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1lm0 h GLY 120 CO 0.00 0.00 -0.23 0.54 0.00 0.00 0.00 176.54 176.85 1lm0 s LYS 121 N -4.01 4.01 -0.18 4.80 3.01 -1.26 -4.34 119.74 121.77 1lm0 s LYS 121 Ca -0.02 0.04 -0.11 0.00 -1.01 0.00 0.00 55.97 54.87 1lm0 s LYS 121 Cb 0.12 -3.66 -0.05 0.00 -1.01 0.00 0.00 37.83 33.23 1lm0 s LYS 121 CO 0.57 -0.29 0.19 -0.51 0.51 0.00 0.00 175.35 175.83 1lm0 s LEU 122 N 2.08 4.24 -0.82 3.17 2.01 -1.12 -1.48 118.68 126.76 1lm0 s LEU 122 Ca 0.15 0.36 -0.20 0.00 0.01 0.00 0.00 54.13 54.45 1lm0 s LEU 122 Cb -0.16 -2.19 0.11 0.00 0.01 0.00 0.00 46.19 43.97 1lm0 s LEU 122 CO 0.10 0.18 1.03 0.00 1.01 0.00 0.00 176.35 178.67 1lm0 s ALA 123 N 0.23 3.32 0.09 4.21 0.00 0.61 -0.47 121.76 129.75 1lm0 s ALA 123 Ca 0.12 -2.48 0.01 0.00 0.00 0.00 0.00 51.96 49.61 1lm0 s ALA 123 Cb -0.12 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 1lm0 s ALA 123 CO 0.01 -2.84 0.24 0.00 0.00 0.00 0.00 175.76 173.16 1lm0 s ALA 124 N 2.98 3.99 0.00 0.00 0.00 -0.35 -0.68 121.76 127.71 1lm0 s ALA 124 Ca 0.27 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1lm0 s ALA 124 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1lm0 s ALA 124 CO -0.03 0.73 0.00 -2.37 0.00 0.00 0.00 175.76 174.09 1lm0 n THR 125 N -0.01 0.00 -2.66 0.00 5.66 0.01 -4.33 114.28 112.95 1lm0 n THR 125 Ca -0.06 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.52 1lm0 n THR 125 Cb 0.52 -0.22 -0.01 0.00 -1.55 0.00 0.00 70.33 69.07 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 -1.44 3.83 -0.73 1.09 2.02 0.15 -4.91 118.70 118.71 1lm0 s GLU 126 Ca 0.00 -1.76 -0.17 0.00 0.02 0.00 0.00 54.97 53.06 1lm0 s GLU 126 Cb 0.00 -5.35 0.15 0.00 0.10 0.00 0.00 34.13 29.04 1lm0 s GLU 126 CO 0.00 -2.12 0.77 0.14 0.02 0.00 0.00 175.26 174.07 1lm0 s VAL 127 N 3.94 5.15 -0.24 2.63 -7.23 -1.26 -0.74 120.40 122.65 1lm0 s VAL 127 Ca 0.47 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 1lm0 s VAL 127 Cb 0.01 -4.51 -0.03 0.00 0.56 0.00 0.00 36.38 32.41 1lm0 s VAL 127 CO -0.01 -1.12 0.45 -0.76 -0.31 0.00 0.00 175.10 173.36 1lm0 s LEU 128 N 1.61 4.08 -1.12 1.32 2.01 0.52 -4.89 118.68 122.21 1lm0 s LEU 128 Ca 0.16 0.48 -0.03 0.00 0.01 0.00 0.00 54.13 54.75 1lm0 s LEU 128 Cb -0.17 -2.57 0.26 0.00 0.01 0.00 0.00 46.19 43.72 1lm0 s LEU 128 CO -0.02 -0.20 1.89 0.00 1.01 0.00 0.00 176.35 179.02 1lm0 n ALA 129 N 5.17 6.03 0.27 4.21 0.00 -1.26 -0.92 120.51 134.01 1lm0 n ALA 129 Ca -0.06 -4.51 0.17 0.00 0.00 0.00 0.00 53.44 49.04 1lm0 n ALA 129 Cb 0.50 -2.40 0.93 0.00 0.00 0.00 0.00 19.45 18.49 1lm0 n ALA 129 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1lm0 h LYS 130 N 4.62 0.00 0.00 0.00 -0.00 -1.95 -0.56 116.57 118.68 1lm0 h LYS 130 Ca 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 61.13 1lm0 h LYS 130 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.62 1lm0 h LYS 130 CO 1.31 0.00 -0.10 1.25 -0.00 0.00 0.00 179.45 181.90 1lm0 h HIS 131 N 0.00 0.00 0.00 0.07 2.76 -1.87 -3.51 115.15 112.59 1lm0 h HIS 131 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1lm0 h HIS 131 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1lm0 h HIS 131 CO 0.00 0.10 0.00 -3.47 -1.30 0.00 0.00 177.93 173.26