#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 1.88 0.10 6.43 0.01 -1.26 -5.05 114.94 117.05 1lm0 s ASN 33 Ca 0.00 -0.32 -0.13 0.00 -0.71 0.00 0.00 52.86 51.70 1lm0 s ASN 33 Cb 0.00 -0.86 -0.14 0.00 0.41 0.00 0.00 41.25 40.65 1lm0 s ASN 33 CO 0.00 0.03 1.32 -0.07 -1.51 0.00 0.00 177.10 176.87 1lm0 h LEU 34 N 7.02 0.93 -7.03 0.60 4.07 -2.07 -3.47 115.31 115.36 1lm0 h LEU 34 Ca -0.30 -0.61 -0.04 0.00 0.08 0.00 0.00 57.88 57.01 1lm0 h LEU 34 Cb 1.19 -0.27 -0.15 0.00 1.08 0.00 0.00 40.66 42.51 1lm0 h LEU 34 CO 0.47 1.38 0.18 0.54 -1.08 0.00 0.00 178.44 179.93 1lm0 s ASN 35 N -7.03 -0.58 -0.11 -0.43 2.20 -1.26 -4.86 114.94 102.87 1lm0 s ASN 35 Ca -0.11 0.26 -0.30 0.00 -0.94 0.00 0.00 52.86 51.77 1lm0 s ASN 35 Cb 0.09 0.56 0.10 0.00 -2.00 0.00 0.00 41.25 40.00 1lm0 s ASN 35 CO 0.90 -0.82 0.82 -1.48 -2.94 0.00 0.00 177.10 173.58 1lm0 s LEU 36 N -2.13 -0.53 -0.06 3.54 2.34 -1.26 -5.03 118.68 115.55 1lm0 s LEU 36 Ca -0.04 0.60 -0.21 0.00 0.06 0.00 0.00 54.13 54.54 1lm0 s LEU 36 Cb -0.01 2.23 -0.04 0.00 -0.56 0.00 0.00 46.19 47.81 1lm0 s LEU 36 CO -0.04 -0.48 0.61 -0.36 -1.06 0.00 0.00 176.35 175.02 1lm0 s PHE 37 N -1.10 3.60 0.05 3.48 0.08 -1.26 -0.59 117.98 122.24 1lm0 s PHE 37 Ca -0.07 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.13 1lm0 s PHE 37 Cb -0.00 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.74 1lm0 s PHE 37 CO 0.06 0.20 -0.05 0.71 -0.10 0.00 0.00 175.22 176.05 1lm0 s TYR 38 N 0.40 0.57 0.02 0.36 2.02 0.50 -4.94 117.35 116.27 1lm0 s TYR 38 Ca 0.32 -0.80 -0.29 0.00 -0.37 0.00 0.00 57.07 55.93 1lm0 s TYR 38 Cb -0.17 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1lm0 s TYR 38 CO 0.16 -0.23 0.95 0.99 -1.57 0.00 0.00 175.55 175.85 1lm0 s THR 39 N -2.80 4.80 0.17 -0.71 2.01 -1.26 -0.55 115.64 117.30 1lm0 s THR 39 Ca -0.01 2.01 -0.14 0.00 0.31 0.00 0.00 61.69 63.86 1lm0 s THR 39 Cb -0.00 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.27 1lm0 s THR 39 CO -0.05 0.21 1.77 1.55 -0.69 0.00 0.00 174.62 177.41 1lm0 h PRO 40 N 6.49 0.40 -0.69 4.92 0.13 -1.86 -1.83 132.00 139.57 1lm0 h PRO 40 Ca -0.41 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.84 1lm0 h PRO 40 Cb 1.22 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1lm0 h PRO 40 CO 0.74 0.26 0.47 1.03 -0.23 0.00 0.00 178.00 180.27 1lm0 h SER 41 N 0.41 0.26 0.86 1.44 0.87 -1.87 -0.30 113.55 115.22 1lm0 h SER 41 Ca 0.20 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1lm0 h SER 41 Cb 0.14 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1lm0 h SER 41 CO -0.16 0.14 -0.41 -0.08 -0.53 0.00 0.00 176.83 175.78 1lm0 h GLU 42 N 0.28 -1.11 -1.26 2.24 4.57 -1.67 -3.22 114.58 114.41 1lm0 h GLU 42 Ca 0.33 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1lm0 h GLU 42 Cb 0.91 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1lm0 h GLU 42 CO -0.08 -0.74 0.00 0.44 -1.18 0.00 0.00 179.01 177.45 1lm0 n ILE 43 N -5.58 0.58 -0.01 2.32 -5.35 -0.13 -1.09 119.36 110.10 1lm0 n ILE 43 Ca -0.15 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1lm0 n ILE 43 Cb 0.46 -0.77 -0.01 0.00 -1.74 0.00 0.00 39.64 37.58 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1lm0 n VAL 44 N 0.61 0.07 -0.01 7.28 3.14 -1.16 -3.73 118.33 124.53 1lm0 n VAL 44 Ca 0.00 -0.05 -0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1lm0 n VAL 44 Cb 0.31 -0.61 -0.00 0.00 -1.06 0.00 0.00 33.84 32.48 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1lm0 h ASN 45 N 0.00 0.00 -1.21 6.55 2.35 -1.21 -3.41 115.58 118.65 1lm0 h ASN 45 Ca -0.03 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.34 1lm0 h ASN 45 Cb 0.83 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.84 1lm0 h ASN 45 CO 0.00 0.08 -1.08 0.61 -1.65 0.00 0.00 177.43 175.40 1lm0 n GLY 46 N 1.88 2.19 0.00 2.83 0.00 -1.26 -4.66 105.19 106.18 1lm0 n GLY 46 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 0.04 0.00 0.14 1.61 4.76 -1.26 -4.39 118.16 119.06 1lm0 n LYS 47 Ca 0.14 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.52 1lm0 n LYS 47 Cb 0.76 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.92 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1lm0 h THR 48 N 0.00 0.00 -0.47 -0.18 2.02 -1.84 0.85 112.91 113.30 1lm0 h THR 48 Ca 0.00 -0.17 0.10 0.00 0.77 0.00 0.00 66.41 67.10 1lm0 h THR 48 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 1lm0 h THR 48 CO 0.00 0.00 -0.17 -0.78 0.37 0.00 0.00 175.52 174.94 1lm0 h ASP 49 N -0.56 -0.61 0.94 4.18 1.82 -1.80 0.22 116.42 120.60 1lm0 h ASP 49 Ca -0.04 0.16 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1lm0 h ASP 49 Cb 0.30 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1lm0 h ASP 49 CO 0.07 -0.21 -0.24 0.74 -1.61 0.00 0.00 179.24 177.99 1lm0 h THR 50 N -0.07 0.58 -5.53 2.25 2.02 -1.80 -3.46 112.91 106.91 1lm0 h THR 50 Ca 0.22 -1.18 -0.38 0.00 0.77 0.00 0.00 66.41 65.85 1lm0 h THR 50 Cb 0.42 1.79 0.13 0.00 -1.74 0.00 0.00 68.15 68.75 1lm0 h THR 50 CO -0.52 0.24 -0.64 0.61 0.37 0.00 0.00 175.52 175.58 1lm0 n GLY 51 N 0.19 -0.47 0.12 2.16 0.00 0.76 -4.94 105.19 103.01 1lm0 n GLY 51 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.86 1.50 -0.01 1.61 0.24 -0.93 -4.83 118.33 111.04 1lm0 n VAL 52 Ca 0.00 -0.71 -0.01 0.00 -2.04 0.00 0.00 64.34 61.58 1lm0 n VAL 52 Cb 0.56 -1.06 -0.00 0.00 -1.47 0.00 0.00 33.84 31.86 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 -3.08 0.06 -2.57 7.34 4.76 -1.26 -4.98 118.16 118.44 1lm0 n LYS 53 Ca -0.37 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.68 1lm0 n LYS 53 Cb 1.07 -0.46 -0.03 0.00 -1.84 0.00 0.00 35.03 33.77 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 -1.29 4.52 0.62 1.97 0.04 -1.26 -5.05 135.00 134.55 1lm0 s PRO 54 Ca -0.03 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1lm0 s PRO 54 Cb 0.00 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1lm0 s PRO 54 CO 0.05 -0.10 1.04 -1.21 0.04 0.00 0.00 177.00 176.82 1lm0 s GLU 55 N 0.77 3.34 1.12 4.56 2.02 -1.26 -4.68 118.70 124.56 1lm0 s GLU 55 Ca 0.54 1.00 -0.13 0.00 0.02 0.00 0.00 54.97 56.40 1lm0 s GLU 55 Cb -0.26 -2.04 0.25 0.00 0.10 0.00 0.00 34.13 32.18 1lm0 s GLU 55 CO 0.30 -0.78 1.05 0.00 0.02 0.00 0.00 175.26 175.84 1lm0 s ALA 56 N -2.81 0.03 -1.09 5.21 0.00 -1.26 -4.12 121.76 117.72 1lm0 s ALA 56 Ca 0.59 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 1lm0 s ALA 56 Cb -0.13 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1lm0 s ALA 56 CO 0.45 -3.50 0.95 0.41 0.00 0.00 0.00 175.76 174.07 1lm0 n GLY 57 N -0.01 -0.26 3.30 0.00 0.00 -0.93 -5.00 105.19 102.29 1lm0 n GLY 57 Ca 0.04 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.01 1.20 -0.18 1.61 -0.21 -1.26 -4.93 119.66 109.87 1lm0 s GLN 58 Ca 0.45 -1.41 -0.13 0.00 0.02 0.00 0.00 55.36 54.29 1lm0 s GLN 58 Cb -0.20 -1.10 -0.05 0.00 1.00 0.00 0.00 33.01 32.67 1lm0 s GLN 58 CO 0.59 0.20 0.28 0.50 -2.12 0.00 0.00 175.29 174.74 1lm0 s ARG 59 N -3.06 4.21 0.20 2.91 3.52 -1.26 -0.95 118.95 124.53 1lm0 s ARG 59 Ca 0.16 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1lm0 s ARG 59 Cb -0.04 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1lm0 s ARG 59 CO 0.05 0.17 0.08 0.96 -0.81 0.00 0.00 175.30 175.75 1lm0 s ILE 60 N 0.70 0.33 -0.27 4.11 -4.36 -0.14 -4.68 121.20 116.89 1lm0 s ILE 60 Ca 0.15 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1lm0 s ILE 60 Cb -0.13 -2.40 0.05 0.00 1.25 0.00 0.00 42.46 41.22 1lm0 s ILE 60 CO 0.04 -0.16 -0.07 -0.13 0.24 0.00 0.00 174.94 174.86 1lm0 s ARG 61 N -4.05 2.41 0.02 0.37 0.52 0.25 -1.19 118.95 117.26 1lm0 s ARG 61 Ca 0.33 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1lm0 s ARG 61 Cb 0.07 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 1lm0 s ARG 61 CO 0.09 -0.55 1.02 0.54 0.02 0.00 0.00 175.30 176.43 1lm0 s VAL 62 N 1.19 4.70 -0.03 3.52 0.11 0.22 -0.37 120.40 129.73 1lm0 s VAL 62 Ca -0.06 1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 60.93 1lm0 s VAL 62 Cb -0.19 -4.25 0.03 0.00 -1.53 0.00 0.00 36.38 30.44 1lm0 s VAL 62 CO -0.04 0.16 0.04 -0.83 -3.33 0.00 0.00 175.10 171.09 1lm0 s GLY 63 N 0.99 0.18 0.00 6.54 0.00 0.29 -0.44 107.32 114.88 1lm0 s GLY 63 Ca 0.53 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1lm0 s GLY 63 CO 0.28 1.00 0.00 0.61 0.00 0.00 0.00 173.10 174.99 1lm0 n GLY 64 N 4.69 -0.66 3.79 0.20 0.00 -1.20 -4.09 105.19 107.92 1lm0 n GLY 64 Ca -0.16 -0.49 -0.37 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 -0.20 3.96 0.78 1.61 0.23 0.20 -2.50 119.30 123.38 1lm0 s MET 65 Ca 0.00 0.01 -0.11 0.00 -1.03 0.00 0.00 55.69 54.57 1lm0 s MET 65 Cb 0.00 -3.33 0.06 0.00 -1.53 0.00 0.00 34.83 30.04 1lm0 s MET 65 CO 0.00 0.47 1.10 0.14 -2.03 0.00 0.00 175.02 174.70 1lm0 s VAL 66 N -0.21 3.21 0.00 5.16 -7.23 -1.26 -0.71 120.40 119.35 1lm0 s VAL 66 Ca 0.15 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1lm0 s VAL 66 Cb -0.13 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1lm0 s VAL 66 CO 0.04 -0.51 0.00 0.41 -0.31 0.00 0.00 175.10 174.73 1lm0 n THR 67 N -3.54 0.00 0.21 5.32 -1.04 -1.14 -4.38 114.28 109.72 1lm0 n THR 67 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1lm0 n THR 67 Cb 0.53 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.00 0.00 0.90 12.58 3.14 -1.26 -2.97 118.33 130.72 1lm0 n VAL 68 Ca 0.00 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.49 1lm0 n VAL 68 Cb 0.00 -0.08 0.03 0.00 -1.06 0.00 0.00 33.84 32.73 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 -1.05 -1.12 0.29 7.55 0.00 -1.26 -4.57 105.19 105.03 1lm0 n GLY 69 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.71 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lm0 h SER 70 N 0.00 0.00 -1.36 1.61 0.02 -1.92 -3.41 113.55 108.50 1lm0 h SER 70 Ca 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 1lm0 h SER 70 Cb 0.55 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 1lm0 h SER 70 CO 0.00 0.03 1.06 -0.32 -1.14 0.00 0.00 176.83 176.47 1lm0 s MET 71 N -3.84 2.72 -0.18 3.45 1.75 -1.26 -4.17 119.30 117.76 1lm0 s MET 71 Ca -0.01 -0.01 -0.08 0.00 -1.25 0.00 0.00 55.69 54.34 1lm0 s MET 71 Cb 0.10 -4.76 -0.04 0.00 2.84 0.00 0.00 34.83 32.97 1lm0 s MET 71 CO 0.53 -2.94 0.09 0.14 -0.65 0.00 0.00 175.02 172.18 1lm0 s VAL 72 N 8.95 5.03 0.00 10.11 -7.23 -0.29 -4.98 120.40 131.99 1lm0 s VAL 72 Ca 0.64 0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.92 1lm0 s VAL 72 Cb -0.08 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1lm0 s VAL 72 CO 0.08 0.46 -0.18 0.00 -0.31 0.00 0.00 175.10 175.15 1lm0 s ARG 73 N 0.30 1.37 0.15 4.82 1.70 -1.26 -0.81 118.95 125.22 1lm0 s ARG 73 Ca 0.05 -0.70 -0.17 0.00 -0.47 0.00 0.00 55.73 54.45 1lm0 s ARG 73 Cb -0.12 -1.36 -0.07 0.00 -0.57 0.00 0.00 34.95 32.83 1lm0 s ARG 73 CO -0.01 0.37 0.59 -0.51 -1.08 0.00 0.00 175.30 174.67 1lm0 s ASP 74 N -0.63 6.93 0.56 -2.89 1.11 -0.09 -4.96 116.67 116.70 1lm0 s ASP 74 Ca 0.06 1.20 0.24 0.00 0.18 0.00 0.00 52.55 54.23 1lm0 s ASP 74 Cb -0.07 -2.33 1.59 0.00 1.07 0.00 0.00 42.92 43.17 1lm0 s ASP 74 CO -0.00 0.12 2.21 1.55 1.18 0.00 0.00 175.17 180.23 1lm0 h PRO 75 N 3.73 0.00 -0.99 8.23 0.13 -2.01 -1.09 132.00 140.00 1lm0 h PRO 75 Ca -0.49 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 64.99 1lm0 h PRO 75 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1lm0 h PRO 75 CO 0.65 0.01 0.51 -0.91 -0.23 0.00 0.00 178.00 178.03 1lm0 h ASN 76 N 0.00 0.37 -0.02 1.44 2.35 -1.93 -3.45 115.58 114.34 1lm0 h ASN 76 Ca -0.00 0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1lm0 h ASN 76 Cb 0.01 0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1lm0 h ASN 76 CO 0.00 -0.25 -0.01 -1.20 -1.65 0.00 0.00 177.43 174.32 1lm0 n SER 77 N -5.16 -3.25 -1.11 5.81 7.64 -0.41 -4.88 113.62 112.26 1lm0 n SER 77 Ca 0.33 0.01 0.02 0.00 1.01 0.00 0.00 58.87 60.24 1lm0 n SER 77 Cb 1.06 -0.78 0.13 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.04 2.39 -3.71 -3.43 -0.00 -1.26 -4.12 117.00 106.83 1lm0 n LEU 78 Ca -0.00 -3.41 -0.11 0.00 -0.00 0.00 0.00 56.01 52.48 1lm0 n LEU 78 Cb 0.05 -0.31 -0.11 0.00 -0.00 0.00 0.00 43.42 43.04 1lm0 n LEU 78 CO 0.01 1.20 0.01 -1.00 -0.00 0.00 0.00 177.39 177.61 1lm0 s HIS 79 N -2.39 -0.51 -0.17 1.47 3.76 -0.52 -3.91 115.29 113.03 1lm0 s HIS 79 Ca 0.38 1.13 -0.10 0.00 -0.15 0.00 0.00 55.06 56.31 1lm0 s HIS 79 Cb 0.38 0.20 0.06 0.00 1.11 0.00 0.00 32.58 34.32 1lm0 s HIS 79 CO -0.09 -0.29 0.41 0.14 -0.85 0.00 0.00 174.74 174.06 1lm0 s VAL 80 N 1.15 -0.02 0.01 -0.90 -7.23 0.02 -0.91 120.40 112.53 1lm0 s VAL 80 Ca -0.08 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1lm0 s VAL 80 Cb -0.08 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 1lm0 s VAL 80 CO -0.09 0.03 -0.04 0.00 -0.31 0.00 0.00 175.10 174.69 1lm0 s GLN 81 N 1.26 0.30 0.06 4.82 -2.07 0.01 -0.48 119.66 123.56 1lm0 s GLN 81 Ca -0.08 -0.34 -0.01 0.00 -1.82 0.00 0.00 55.36 53.11 1lm0 s GLN 81 Cb -0.08 -0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.63 1lm0 s GLN 81 CO -0.11 0.04 -0.03 -0.59 -1.32 0.00 0.00 175.29 173.27 1lm0 s PHE 82 N -0.62 0.59 -0.18 9.60 -0.12 -0.33 -1.14 117.98 125.79 1lm0 s PHE 82 Ca -0.05 -1.05 -0.04 0.00 -0.05 0.00 0.00 56.93 55.74 1lm0 s PHE 82 Cb -0.05 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 1lm0 s PHE 82 CO -0.00 -0.35 -0.02 0.00 -0.05 0.00 0.00 175.22 174.80 1lm0 s ALA 83 N -3.88 3.03 0.06 1.99 0.00 -1.26 -0.36 121.76 121.34 1lm0 s ALA 83 Ca 0.08 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1lm0 s ALA 83 Cb 0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1lm0 s ALA 83 CO -0.09 0.05 -0.18 0.54 0.00 0.00 0.00 175.76 176.09 1lm0 s VAL 84 N 0.64 2.83 0.30 0.00 0.11 -0.14 -2.87 120.40 121.27 1lm0 s VAL 84 Ca -0.01 -1.27 0.04 0.00 -2.93 0.00 0.00 61.98 57.81 1lm0 s VAL 84 Cb -0.14 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.47 1lm0 s VAL 84 CO 0.02 0.27 0.31 0.00 -3.33 0.00 0.00 175.10 172.37 1lm0 n HIS 85 N 1.32 -0.91 -0.28 1.54 1.44 0.11 -0.59 115.22 117.86 1lm0 n HIS 85 Ca -0.16 -2.32 0.00 0.00 -2.01 0.00 0.00 57.72 53.23 1lm0 n HIS 85 Cb 0.52 0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.97 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 -1.80 1.51 -2.13 4.39 2.03 -1.25 -0.63 116.55 118.68 1lm0 n ASP 86 Ca 0.05 -1.78 -0.14 0.00 0.52 0.00 0.00 54.79 53.43 1lm0 n ASP 86 Cb 0.52 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1lm0 n ASP 86 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1lm0 n SER 87 N -0.39 -4.22 0.00 1.67 2.88 -1.26 -4.87 113.62 107.42 1lm0 n SER 87 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1lm0 n SER 87 Cb 0.32 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.13 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 -2.59 0.20 -2.68 2.46 4.32 -1.26 -5.05 117.00 112.40 1lm0 n LEU 88 Ca -0.16 0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 55.79 1lm0 n LEU 88 Cb 0.58 -0.09 0.05 0.00 -1.62 0.00 0.00 43.42 42.34 1lm0 n LEU 88 CO 0.20 -0.09 0.47 0.61 -1.22 0.00 0.00 177.39 177.36 1lm0 n GLY 89 N 2.32 -1.49 0.00 -0.72 0.00 -1.26 -5.14 105.19 98.90 1lm0 n GLY 89 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 2.19 3.24 3.23 -0.02 0.00 -1.26 -4.87 105.19 107.70 1lm0 n GLY 90 Ca 0.08 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.04 2.65 -0.03 1.61 8.01 -1.26 -3.48 118.70 126.15 1lm0 s GLU 91 Ca 0.00 -0.86 0.06 0.00 0.01 0.00 0.00 54.97 54.19 1lm0 s GLU 91 Cb 0.00 -2.14 -0.01 0.00 -4.31 0.00 0.00 34.13 27.67 1lm0 s GLU 91 CO 0.00 0.28 -0.21 -1.50 0.01 0.00 0.00 175.26 173.84 1lm0 s ILE 92 N 0.07 1.70 -0.18 -1.63 -1.16 0.24 -4.91 121.20 115.33 1lm0 s ILE 92 Ca -0.10 -0.90 -0.20 0.00 -0.51 0.00 0.00 60.65 58.94 1lm0 s ILE 92 Cb -0.15 -1.42 -0.03 0.00 0.61 0.00 0.00 42.46 41.47 1lm0 s ILE 92 CO 0.06 0.48 0.60 -0.76 -2.81 0.00 0.00 174.94 172.50 1lm0 s LEU 93 N -0.36 4.16 -0.25 8.50 1.43 -1.26 -0.96 118.68 129.94 1lm0 s LEU 93 Ca 0.04 0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 53.90 1lm0 s LEU 93 Cb -0.10 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1lm0 s LEU 93 CO 0.00 -0.22 0.03 -0.69 0.23 0.00 0.00 176.35 175.70 1lm0 s VAL 94 N 1.69 3.85 -0.11 -1.59 1.01 0.52 -2.48 120.40 123.29 1lm0 s VAL 94 Ca 0.28 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1lm0 s VAL 94 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1lm0 s VAL 94 CO 0.11 0.29 0.16 0.42 0.00 0.00 0.00 175.10 176.08 1lm0 s THR 95 N 1.53 5.48 -0.02 3.92 -4.23 0.18 -1.19 115.64 121.30 1lm0 s THR 95 Ca 0.05 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1lm0 s THR 95 Cb -0.15 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.27 1lm0 s THR 95 CO 0.01 0.61 0.06 -0.47 -0.54 0.00 0.00 174.62 174.29 1lm0 s TYR 96 N -1.04 -0.07 0.00 3.99 6.14 0.37 -0.86 117.35 125.89 1lm0 s TYR 96 Ca 0.16 0.17 0.00 0.00 0.64 0.00 0.00 57.07 58.04 1lm0 s TYR 96 Cb -0.12 0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.27 1lm0 s TYR 96 CO 0.05 -0.04 0.00 -0.40 0.64 0.00 0.00 175.55 175.80 1lm0 n ASP 97 N 3.09 0.00 -4.36 4.32 5.75 -1.26 -0.80 116.55 123.29 1lm0 n ASP 97 Ca -0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.34 1lm0 n ASP 97 Cb 0.59 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.88 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1lm0 n ASP 98 N 0.00 -2.09 -4.63 -1.12 -0.08 -1.25 -1.43 116.55 105.95 1lm0 n ASP 98 Ca 0.00 -0.11 -0.45 0.00 -1.51 0.00 0.00 54.79 52.72 1lm0 n ASP 98 Cb 0.00 -1.09 -0.04 0.00 2.34 0.00 0.00 41.12 42.33 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1lm0 n LEU 99 N -2.93 3.53 -4.64 -2.67 4.77 -1.26 -4.69 117.00 109.11 1lm0 n LEU 99 Ca 0.02 0.68 -0.40 0.00 -0.03 0.00 0.00 56.01 56.28 1lm0 n LEU 99 Cb 0.59 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.24 1lm0 n LEU 99 CO 0.54 -0.20 0.66 0.18 -1.33 0.00 0.00 177.39 177.24 1lm0 n LEU 100 N 8.66 3.51 -4.76 2.23 4.77 -1.26 -4.94 117.00 125.21 1lm0 n LEU 100 Ca 0.26 0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 56.81 1lm0 n LEU 100 Cb 0.37 -1.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1lm0 n LEU 100 CO 0.70 -1.37 1.02 -2.16 -1.33 0.00 0.00 177.39 174.25 1lm0 s PRO 101 N -2.38 3.70 -1.69 3.23 0.04 -1.26 -2.52 135.00 134.13 1lm0 s PRO 101 Ca 0.68 2.31 -0.18 0.00 0.04 0.00 0.00 61.00 63.84 1lm0 s PRO 101 Cb -0.48 -2.63 0.15 0.00 0.04 0.00 0.00 34.50 31.58 1lm0 s PRO 101 CO 0.53 -0.76 0.79 -0.25 0.04 0.00 0.00 177.00 177.35 1lm0 n ASP 102 N -0.21 -3.34 0.00 6.66 9.92 -1.26 -0.44 116.55 127.88 1lm0 n ASP 102 Ca 0.05 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.32 1lm0 n ASP 102 Cb 0.43 -2.83 0.00 0.00 -0.64 0.00 0.00 41.12 38.08 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 -4.40 0.80 -2.58 0.64 -0.00 -1.05 -2.83 117.00 107.58 1lm0 n LEU 103 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.03 1lm0 n LEU 103 Cb 0.50 -1.63 -0.04 0.00 -0.00 0.00 0.00 43.42 42.25 1lm0 n LEU 103 CO 0.85 -0.59 -0.60 0.33 -0.00 0.00 0.00 177.39 177.38 1lm0 n PHE 104 N -1.50 -4.27 -2.63 1.47 -0.00 0.42 -4.81 117.46 106.14 1lm0 n PHE 104 Ca 0.00 2.50 -0.33 0.00 -0.00 0.00 0.00 57.45 59.62 1lm0 n PHE 104 Cb 0.19 -3.71 -0.05 0.00 -0.00 0.00 0.00 39.48 35.91 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lm0 s ARG 105 N -0.60 4.00 0.50 -4.13 3.00 -1.13 -5.06 118.95 115.52 1lm0 s ARG 105 Ca -0.22 1.18 -0.01 0.00 0.00 0.00 0.00 55.73 56.68 1lm0 s ARG 105 Cb 0.01 -2.14 0.01 0.00 0.00 0.00 0.00 34.95 32.83 1lm0 s ARG 105 CO 0.60 -0.24 0.73 -1.21 0.00 0.00 0.00 175.30 175.18 1lm0 s GLU 106 N -3.38 2.93 -1.55 3.54 8.01 -1.26 -4.48 118.70 122.50 1lm0 s GLU 106 Ca 0.63 -0.46 -0.03 0.00 0.01 0.00 0.00 54.97 55.13 1lm0 s GLU 106 Cb -0.12 -2.49 0.02 0.00 -4.31 0.00 0.00 34.13 27.24 1lm0 s GLU 106 CO 0.19 -0.44 0.17 0.41 0.01 0.00 0.00 175.26 175.60 1lm0 n GLY 107 N -2.23 -0.18 2.97 -1.39 0.00 -1.16 -4.92 105.19 98.28 1lm0 n GLY 107 Ca 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -7.17 0.82 0.20 1.61 1.03 -1.26 -5.01 119.66 109.88 1lm0 s GLN 108 Ca 0.09 -0.66 -0.32 0.00 0.04 0.00 0.00 55.36 54.51 1lm0 s GLN 108 Cb -0.05 -0.23 -0.15 0.00 0.03 0.00 0.00 33.01 32.60 1lm0 s GLN 108 CO 0.97 -1.23 1.14 0.41 -2.54 0.00 0.00 175.29 174.04 1lm0 n GLY 109 N 4.03 0.00 3.19 2.60 0.00 -1.26 -4.61 105.19 109.15 1lm0 n GLY 109 Ca 0.13 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 1lm0 n GLY 109 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lm0 s ILE 110 N -0.38 0.12 -0.08 -0.61 -5.25 -1.04 -4.44 121.20 109.52 1lm0 s ILE 110 Ca 0.69 -1.97 0.00 0.00 -0.99 0.00 0.00 60.65 58.39 1lm0 s ILE 110 Cb -0.81 -2.33 -0.03 0.00 2.95 0.00 0.00 42.46 42.25 1lm0 s ILE 110 CO 0.54 -0.19 -0.07 0.68 -1.79 0.00 0.00 174.94 174.11 1lm0 s VAL 111 N -4.06 3.67 -0.13 8.37 -7.23 -0.86 -3.24 120.40 116.91 1lm0 s VAL 111 Ca 0.33 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 1lm0 s VAL 111 Cb 0.07 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1lm0 s VAL 111 CO 0.08 0.58 -0.14 0.00 -0.31 0.00 0.00 175.10 175.31 1lm0 s ALA 112 N -0.55 1.77 -0.22 1.32 0.00 0.42 -0.80 121.76 123.70 1lm0 s ALA 112 Ca 0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1lm0 s ALA 112 Cb -0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1lm0 s ALA 112 CO 0.02 -0.26 0.17 -0.65 0.00 0.00 0.00 175.76 175.04 1lm0 s GLN 113 N 1.30 4.14 0.27 0.00 -0.21 -0.75 -0.61 119.66 123.80 1lm0 s GLN 113 Ca 0.00 -0.19 -0.21 0.00 0.02 0.00 0.00 55.36 54.98 1lm0 s GLN 113 Cb -0.14 -3.48 0.02 0.00 1.00 0.00 0.00 33.01 30.41 1lm0 s GLN 113 CO -0.07 0.16 0.70 0.20 -2.12 0.00 0.00 175.29 174.17 1lm0 s GLY 114 N 0.73 -0.12 -0.08 3.09 0.00 -0.34 -2.94 107.32 107.67 1lm0 s GLY 114 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 1lm0 s GLY 114 CO 0.02 -0.08 -0.03 0.54 0.00 0.00 0.00 173.10 173.55 1lm0 s VAL 115 N -3.91 4.06 -0.12 1.40 0.11 0.36 -0.97 120.40 121.32 1lm0 s VAL 115 Ca 0.10 -0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 58.52 1lm0 s VAL 115 Cb -0.05 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1lm0 s VAL 115 CO 0.05 0.60 1.62 -0.76 -3.33 0.00 0.00 175.10 173.28 1lm0 s LEU 116 N -0.78 4.16 0.00 2.54 1.02 -0.12 -0.91 118.68 124.59 1lm0 s LEU 116 Ca 0.12 1.99 0.00 0.00 0.02 0.00 0.00 54.13 56.26 1lm0 s LEU 116 Cb -0.11 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.56 1lm0 s LEU 116 CO 0.02 -1.03 0.00 0.61 0.02 0.00 0.00 176.35 175.97 1lm0 n GLY 117 N 4.27 1.52 0.00 -3.19 0.00 -1.01 -2.20 105.19 104.58 1lm0 n GLY 117 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lm0 n GLU 118 N 0.00 0.00 -3.15 1.61 2.13 -1.26 -4.46 120.64 115.51 1lm0 n GLU 118 Ca 0.00 0.10 0.06 0.00 0.66 0.00 0.00 57.16 57.97 1lm0 n GLU 118 Cb 0.00 -0.56 -0.01 0.00 0.27 0.00 0.00 31.44 31.14 1lm0 n GLU 118 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1lm0 s ASP 119 N -1.45 -0.32 0.00 4.31 -4.77 -1.26 -4.76 116.67 108.43 1lm0 s ASP 119 Ca 0.00 0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.42 1lm0 s ASP 119 Cb 0.00 1.25 0.00 0.00 -1.09 0.00 0.00 42.92 43.08 1lm0 s ASP 119 CO 0.00 -0.06 0.00 0.61 0.70 0.00 0.00 175.17 176.42 1lm0 n GLY 120 N 5.42 3.12 3.73 2.12 0.00 -1.26 -5.01 105.19 113.31 1lm0 n GLY 120 Ca -0.05 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 1lm0 n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lm0 s LYS 121 N 0.00 4.37 -0.36 1.61 2.47 -1.26 -4.68 119.74 121.89 1lm0 s LYS 121 Ca 0.00 0.72 -0.15 0.00 -1.56 0.00 0.00 55.97 54.98 1lm0 s LYS 121 Cb 0.00 -3.41 -0.00 0.00 -1.46 0.00 0.00 37.83 32.96 1lm0 s LYS 121 CO 0.00 0.19 0.36 -0.51 0.16 0.00 0.00 175.35 175.55 1lm0 s LEU 122 N 0.43 4.57 -0.60 5.43 2.01 -1.04 -2.40 118.68 127.08 1lm0 s LEU 122 Ca 0.32 -0.38 -0.22 0.00 0.01 0.00 0.00 54.13 53.86 1lm0 s LEU 122 Cb -0.17 -2.32 0.06 0.00 0.01 0.00 0.00 46.19 43.77 1lm0 s LEU 122 CO 0.16 -0.38 0.90 0.00 1.01 0.00 0.00 176.35 178.04 1lm0 s ALA 123 N 1.99 3.18 -0.08 4.21 0.00 -0.09 -0.65 121.76 130.32 1lm0 s ALA 123 Ca 0.11 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.46 1lm0 s ALA 123 Cb -0.17 -3.74 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1lm0 s ALA 123 CO 0.12 -2.53 -0.22 0.00 0.00 0.00 0.00 175.76 173.13 1lm0 s ALA 124 N 3.79 1.96 0.00 0.00 0.00 -0.03 -0.49 121.76 126.98 1lm0 s ALA 124 Ca 0.23 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1lm0 s ALA 124 Cb -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1lm0 s ALA 124 CO 0.13 0.30 0.05 -2.37 0.00 0.00 0.00 175.76 173.87 1lm0 n THR 125 N 3.34 0.00 -3.43 0.00 5.66 -1.18 -3.92 114.28 114.75 1lm0 n THR 125 Ca -0.19 -0.36 -0.35 0.00 -3.05 0.00 0.00 64.05 60.11 1lm0 n THR 125 Cb 0.53 1.04 -0.05 0.00 -1.55 0.00 0.00 70.33 70.29 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1lm0 n GLU 126 N -0.62 3.02 -3.18 1.09 1.02 -1.15 -5.00 120.64 115.81 1lm0 n GLU 126 Ca 0.00 -4.56 -0.32 0.00 -0.02 0.00 0.00 57.16 52.26 1lm0 n GLU 126 Cb 0.01 -2.38 -0.05 0.00 -0.02 0.00 0.00 31.44 28.99 1lm0 n GLU 126 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1lm0 s VAL 127 N -2.08 4.78 -0.04 2.62 -7.23 -1.26 -1.81 120.40 115.39 1lm0 s VAL 127 Ca 0.32 0.72 0.04 0.00 -1.81 0.00 0.00 61.98 61.26 1lm0 s VAL 127 Cb 0.03 -3.64 -0.00 0.00 0.56 0.00 0.00 36.38 33.33 1lm0 s VAL 127 CO -0.04 -0.21 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.61 1lm0 s LEU 128 N -3.09 1.92 -0.22 1.32 2.01 0.02 -4.97 118.68 115.67 1lm0 s LEU 128 Ca 0.51 -0.35 -0.19 0.00 0.01 0.00 0.00 54.13 54.12 1lm0 s LEU 128 Cb -0.10 -0.95 -0.03 0.00 0.01 0.00 0.00 46.19 45.11 1lm0 s LEU 128 CO 0.21 0.16 0.54 0.00 1.01 0.00 0.00 176.35 178.27 1lm0 s ALA 129 N 0.01 3.56 -0.31 4.21 0.00 -1.26 -2.03 121.76 125.93 1lm0 s ALA 129 Ca -0.03 -0.42 0.18 0.00 0.00 0.00 0.00 51.96 51.69 1lm0 s ALA 129 Cb -0.11 -2.87 0.46 0.00 0.00 0.00 0.00 23.12 20.61 1lm0 s ALA 129 CO 0.02 -0.54 1.09 0.36 0.00 0.00 0.00 175.76 176.69 1lm0 n LYS 130 N 5.04 1.34 -3.45 0.00 2.85 -1.26 -5.04 118.16 117.64 1lm0 n LYS 130 Ca -0.04 -3.00 -0.20 0.00 -1.05 0.00 0.00 58.31 54.02 1lm0 n LYS 130 Cb 0.50 -1.08 -0.12 0.00 -0.65 0.00 0.00 35.03 33.68 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1lm0 s HIS 131 N -2.68 -0.24 -2.87 5.58 3.76 -1.26 -5.04 115.29 112.53 1lm0 s HIS 131 Ca 0.25 -0.24 0.25 0.00 -0.15 0.00 0.00 55.06 55.18 1lm0 s HIS 131 Cb 0.41 -0.54 0.42 0.00 1.11 0.00 0.00 32.58 33.98 1lm0 s HIS 131 CO -0.01 -0.82 1.39 -0.40 -0.85 0.00 0.00 174.74 174.04