#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 -0.22 -1.20 6.43 0.02 -1.26 -4.87 114.94 113.84 1lm0 s ASN 33 Ca 0.00 0.15 -0.15 0.00 -1.02 0.00 0.00 52.86 51.84 1lm0 s ASN 33 Cb 0.00 0.35 0.14 0.00 0.02 0.00 0.00 41.25 41.76 1lm0 s ASN 33 CO 0.00 -0.42 1.48 -0.76 0.02 0.00 0.00 177.10 177.42 1lm0 s LEU 34 N -1.19 4.72 -1.39 0.60 1.43 -1.25 -4.94 118.68 116.65 1lm0 s LEU 34 Ca -0.12 -2.76 -0.15 0.00 -1.03 0.00 0.00 54.13 50.07 1lm0 s LEU 34 Cb -0.05 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.79 1lm0 s LEU 34 CO 0.04 -0.89 2.02 0.59 0.23 0.00 0.00 176.35 178.34 1lm0 n ASN 35 N 6.45 4.34 -4.41 2.29 3.02 -1.26 -4.40 115.26 121.29 1lm0 n ASN 35 Ca 0.39 -2.89 -0.20 0.00 -0.03 0.00 0.00 54.58 51.85 1lm0 n ASN 35 Cb 0.44 -1.67 -0.10 0.00 -0.61 0.00 0.00 39.78 37.84 1lm0 n ASN 35 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1lm0 s LEU 36 N 2.65 2.35 -0.04 3.41 2.34 -1.26 -4.95 118.68 123.18 1lm0 s LEU 36 Ca 0.49 -1.24 -0.18 0.00 0.06 0.00 0.00 54.13 53.26 1lm0 s LEU 36 Cb 0.10 -0.48 -0.05 0.00 -0.56 0.00 0.00 46.19 45.20 1lm0 s LEU 36 CO -0.03 -0.45 0.49 -0.36 -1.06 0.00 0.00 176.35 174.94 1lm0 s PHE 37 N -3.18 3.65 0.15 3.48 0.08 -1.26 -0.17 117.98 120.72 1lm0 s PHE 37 Ca 0.31 1.02 0.03 0.00 0.12 0.00 0.00 56.93 58.41 1lm0 s PHE 37 Cb 0.05 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1lm0 s PHE 37 CO 0.12 0.40 -0.06 0.71 -0.10 0.00 0.00 175.22 176.29 1lm0 s TYR 38 N -0.26 1.18 0.27 0.36 2.02 0.49 -4.94 117.35 116.46 1lm0 s TYR 38 Ca 0.26 -0.87 -0.22 0.00 -0.37 0.00 0.00 57.07 55.87 1lm0 s TYR 38 Cb -0.17 -0.64 -0.09 0.00 -0.40 0.00 0.00 41.96 40.66 1lm0 s TYR 38 CO 0.14 -0.06 0.82 0.95 -1.57 0.00 0.00 175.55 175.83 1lm0 s THR 39 N -3.49 4.43 0.16 -0.71 -4.23 -1.26 -0.38 115.64 110.16 1lm0 s THR 39 Ca 0.18 1.49 -0.14 0.00 -1.18 0.00 0.00 61.69 62.04 1lm0 s THR 39 Cb 0.04 -3.90 0.04 0.00 1.34 0.00 0.00 72.50 70.02 1lm0 s THR 39 CO 0.00 0.15 1.75 1.55 -0.54 0.00 0.00 174.62 177.54 1lm0 h PRO 40 N 3.23 0.69 -0.52 3.99 0.13 -1.88 -2.99 132.00 134.65 1lm0 h PRO 40 Ca -0.47 -0.09 0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1lm0 h PRO 40 Cb 1.19 -0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.09 1lm0 h PRO 40 CO 0.65 0.56 -0.41 0.66 -0.23 0.00 0.00 178.00 179.23 1lm0 h SER 41 N 0.65 -1.41 -0.47 1.44 4.64 -1.88 -1.75 113.55 114.77 1lm0 h SER 41 Ca 0.17 0.23 0.08 0.00 -0.47 0.00 0.00 61.79 61.80 1lm0 h SER 41 Cb 0.09 0.64 -0.10 0.00 -0.31 0.00 0.00 62.40 62.72 1lm0 h SER 41 CO -0.02 -0.34 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.11 1lm0 h GLU 42 N -0.25 -0.26 -0.07 4.77 4.57 -1.89 -1.64 114.58 119.80 1lm0 h GLU 42 Ca 0.17 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1lm0 h GLU 42 Cb 0.57 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1lm0 h GLU 42 CO -0.65 -0.18 0.00 0.44 -1.18 0.00 0.00 179.01 177.44 1lm0 n ILE 43 N -5.42 0.00 -0.10 2.32 -5.35 -0.66 -3.04 119.36 107.11 1lm0 n ILE 43 Ca 0.01 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1lm0 n ILE 43 Cb 0.35 -0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 37.96 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1lm0 n VAL 44 N -0.39 1.50 -3.16 7.28 0.31 -0.62 -0.59 118.33 122.65 1lm0 n VAL 44 Ca 0.00 0.04 -0.46 0.00 -0.01 0.00 0.00 64.34 63.91 1lm0 n VAL 44 Cb 0.02 -2.25 -0.02 0.00 -0.91 0.00 0.00 33.84 30.68 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1lm0 s ASN 45 N -6.25 6.70 -0.02 4.52 0.01 -1.17 -3.66 114.94 115.07 1lm0 s ASN 45 Ca -0.29 -2.41 -0.00 0.00 -0.71 0.00 0.00 52.86 49.45 1lm0 s ASN 45 Cb 0.06 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.43 1lm0 s ASN 45 CO 0.42 -0.78 0.02 0.61 -1.51 0.00 0.00 177.10 175.86 1lm0 n GLY 46 N 4.61 0.85 0.00 0.66 0.00 -1.26 -5.03 105.19 105.02 1lm0 n GLY 46 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.65 0.00 -0.16 1.61 4.01 -1.26 -4.59 118.16 117.13 1lm0 n LYS 47 Ca -0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.76 1lm0 n LYS 47 Cb 0.50 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.99 1lm0 n LYS 47 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1lm0 n THR 48 N 0.00 -0.25 -0.24 -0.18 -1.04 -1.23 -0.13 114.28 111.21 1lm0 n THR 48 Ca 0.00 0.92 -0.02 0.00 -2.04 0.00 0.00 64.05 62.90 1lm0 n THR 48 Cb 0.00 -1.14 0.09 0.00 -1.82 0.00 0.00 70.33 67.46 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 0.64 0.02 8.00 3.58 -1.03 0.16 116.42 127.80 1lm0 h ASP 49 Ca 0.07 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.42 1lm0 h ASP 49 Cb 0.17 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1lm0 h ASP 49 CO -0.36 0.43 -0.38 0.74 -2.88 0.00 0.00 179.24 176.78 1lm0 h THR 50 N 0.77 1.30 -2.67 2.25 2.02 -0.75 -3.42 112.91 112.41 1lm0 h THR 50 Ca 0.29 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 65.87 1lm0 h THR 50 Cb 0.11 1.56 0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1lm0 h THR 50 CO -0.15 0.47 -0.18 0.61 0.37 0.00 0.00 175.52 176.64 1lm0 n GLY 51 N -0.11 0.35 0.00 2.16 0.00 0.82 -4.94 105.19 103.47 1lm0 n GLY 51 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.19 0.00 0.43 1.61 0.24 -1.25 -4.91 118.33 112.27 1lm0 n VAL 52 Ca -0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.07 1lm0 n VAL 52 Cb 0.53 -0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1lm0 h LYS 53 N 0.00 -1.12 -6.99 7.34 1.79 -1.87 -3.41 116.57 112.30 1lm0 h LYS 53 Ca 0.00 0.08 -0.47 0.00 -2.18 0.00 0.00 60.65 58.08 1lm0 h LYS 53 Cb 0.00 0.26 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1lm0 h LYS 53 CO 0.00 -0.75 0.39 -1.25 -1.08 0.00 0.00 179.45 176.76 1lm0 s PRO 54 N -5.72 4.16 -0.08 3.15 0.04 -1.26 -5.07 135.00 130.24 1lm0 s PRO 54 Ca -0.18 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.29 1lm0 s PRO 54 Cb 0.02 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1lm0 s PRO 54 CO 0.55 -0.12 -0.18 -2.00 0.04 0.00 0.00 177.00 175.29 1lm0 s GLU 55 N -2.68 2.79 0.55 4.56 2.12 -1.26 -4.63 118.70 120.14 1lm0 s GLU 55 Ca 0.59 -0.78 -0.21 0.00 0.36 0.00 0.00 54.97 54.93 1lm0 s GLU 55 Cb -0.18 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.80 1lm0 s GLU 55 CO 0.23 0.40 1.34 0.00 -0.54 0.00 0.00 175.26 176.70 1lm0 s ALA 56 N -0.17 2.78 0.00 6.30 0.00 -1.26 -3.39 121.76 126.01 1lm0 s ALA 56 Ca -0.02 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1lm0 s ALA 56 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1lm0 s ALA 56 CO 0.03 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1lm0 n GLY 57 N 0.73 1.55 3.85 0.00 0.00 0.66 -4.93 105.19 107.05 1lm0 n GLY 57 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.08 3.97 -0.14 1.61 -0.21 -1.22 -4.73 119.66 118.85 1lm0 s GLN 58 Ca 0.00 0.69 -0.15 0.00 0.02 0.00 0.00 55.36 55.93 1lm0 s GLN 58 Cb 0.00 -2.36 -0.05 0.00 1.00 0.00 0.00 33.01 31.60 1lm0 s GLN 58 CO 0.00 0.05 0.33 0.50 -2.12 0.00 0.00 175.29 174.05 1lm0 s ARG 59 N -3.33 4.24 0.31 2.91 3.52 -1.26 -2.08 118.95 123.27 1lm0 s ARG 59 Ca 0.55 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 1lm0 s ARG 59 Cb -0.10 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1lm0 s ARG 59 CO 0.22 0.25 0.29 0.96 -0.81 0.00 0.00 175.30 176.20 1lm0 s ILE 60 N 0.41 0.00 -0.03 4.11 -4.36 -0.01 -3.86 121.20 117.47 1lm0 s ILE 60 Ca 0.19 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.69 1lm0 s ILE 60 Cb -0.14 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 1lm0 s ILE 60 CO 0.06 0.00 -0.18 -0.13 0.24 0.00 0.00 174.94 174.92 1lm0 s ARG 61 N -3.50 1.65 -0.14 0.37 0.52 0.76 -1.22 118.95 117.39 1lm0 s ARG 61 Ca 0.39 -0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 54.84 1lm0 s ARG 61 Cb 0.03 -1.51 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 1lm0 s ARG 61 CO 0.24 0.33 0.23 0.54 0.02 0.00 0.00 175.30 176.66 1lm0 s VAL 62 N -0.22 5.34 -0.06 3.52 0.11 0.56 -0.38 120.40 129.28 1lm0 s VAL 62 Ca 0.02 0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1lm0 s VAL 62 Cb -0.09 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.25 1lm0 s VAL 62 CO 0.01 0.49 0.04 -0.83 -3.33 0.00 0.00 175.10 171.47 1lm0 s GLY 63 N -0.17 0.34 0.00 6.54 0.00 0.49 -0.21 107.32 114.31 1lm0 s GLY 63 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1lm0 s GLY 63 CO 0.04 1.31 0.00 0.61 0.00 0.00 0.00 173.10 175.06 1lm0 n GLY 64 N 5.23 0.85 3.84 0.20 0.00 -1.04 -4.10 105.19 110.18 1lm0 n GLY 64 Ca -0.05 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.00 3.93 -0.20 1.61 0.23 0.26 -1.88 119.30 123.25 1lm0 s MET 65 Ca 0.00 0.41 -0.22 0.00 -1.03 0.00 0.00 55.69 54.85 1lm0 s MET 65 Cb 0.00 -3.12 -0.02 0.00 -1.53 0.00 0.00 34.83 30.16 1lm0 s MET 65 CO 0.00 0.62 0.71 0.08 -2.03 0.00 0.00 175.02 174.40 1lm0 s VAL 66 N -1.22 4.95 0.00 5.16 1.01 0.19 -0.73 120.40 129.76 1lm0 s VAL 66 Ca 0.29 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1lm0 s VAL 66 Cb -0.16 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1lm0 s VAL 66 CO 0.16 0.05 0.00 0.41 0.00 0.00 0.00 175.10 175.72 1lm0 n THR 67 N 4.85 0.00 0.00 3.92 -1.04 -1.26 0.05 114.28 120.80 1lm0 n THR 67 Ca 0.01 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1lm0 n THR 67 Cb 0.49 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.68 12.58 3.14 -1.26 -3.67 118.33 126.44 1lm0 n VAL 68 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1lm0 n VAL 68 Cb 0.00 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 32.91 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 -0.74 2.00 0.14 7.55 0.00 -1.26 -4.65 105.19 108.23 1lm0 n GLY 69 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 1.15 0.00 -2.74 1.61 0.02 -1.93 -3.46 113.55 108.19 1lm0 h SER 70 Ca -0.42 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 59.97 1lm0 h SER 70 Cb 1.30 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.88 1lm0 h SER 70 CO -0.16 0.02 0.95 -0.32 -1.14 0.00 0.00 176.83 176.17 1lm0 s MET 71 N -3.18 4.19 0.02 3.45 1.75 -1.26 -4.23 119.30 120.03 1lm0 s MET 71 Ca 0.07 2.43 0.02 0.00 -1.25 0.00 0.00 55.69 56.96 1lm0 s MET 71 Cb 0.09 -3.25 -0.01 0.00 2.84 0.00 0.00 34.83 34.50 1lm0 s MET 71 CO 0.66 -0.68 -0.07 0.14 -0.65 0.00 0.00 175.02 174.42 1lm0 s VAL 72 N 1.53 0.54 0.04 10.11 -7.23 0.02 -5.00 120.40 120.42 1lm0 s VAL 72 Ca 0.73 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1lm0 s VAL 72 Cb -0.44 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 1lm0 s VAL 72 CO 0.32 -0.06 -0.12 0.00 -0.31 0.00 0.00 175.10 174.93 1lm0 s ARG 73 N -0.73 0.74 0.14 4.82 1.70 -1.26 -0.71 118.95 123.65 1lm0 s ARG 73 Ca -0.02 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.50 1lm0 s ARG 73 Cb -0.05 -0.68 -0.04 0.00 -0.57 0.00 0.00 34.95 33.60 1lm0 s ARG 73 CO 0.00 0.16 0.28 -0.51 -1.08 0.00 0.00 175.30 174.15 1lm0 s ASP 74 N -1.33 6.35 0.00 -2.89 1.01 -0.14 -4.98 116.67 114.69 1lm0 s ASP 74 Ca -0.03 0.20 -0.02 0.00 0.71 0.00 0.00 52.55 53.41 1lm0 s ASP 74 Cb -0.08 -1.92 -0.11 0.00 1.01 0.00 0.00 42.92 41.81 1lm0 s ASP 74 CO 0.01 0.06 2.44 -0.81 0.21 0.00 0.00 175.17 177.08 1lm0 n PRO 75 N -0.47 1.28 -0.09 8.23 -0.04 -1.26 -3.32 135.00 139.33 1lm0 n PRO 75 Ca -0.07 -0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 62.84 1lm0 n PRO 75 Cb 0.54 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1lm0 n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lm0 n ASN 76 N 2.04 2.39 0.00 3.54 3.02 -1.26 -5.04 115.26 119.95 1lm0 n ASN 76 Ca 0.18 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1lm0 n ASN 76 Cb 0.61 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1lm0 n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1lm0 n SER 77 N -3.16 0.00 -1.61 6.41 7.64 -1.21 -4.90 113.62 116.79 1lm0 n SER 77 Ca -0.34 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.40 1lm0 n SER 77 Cb 0.84 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 64.19 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 0.00 5.13 -3.61 -3.43 -0.00 -1.26 -3.29 117.00 110.54 1lm0 n LEU 78 Ca 0.00 -3.98 -0.26 0.00 -0.00 0.00 0.00 56.01 51.77 1lm0 n LEU 78 Cb 0.00 -0.67 -0.17 0.00 -0.00 0.00 0.00 43.42 42.58 1lm0 n LEU 78 CO 0.00 1.40 -0.33 -1.00 -0.00 0.00 0.00 177.39 177.46 1lm0 s HIS 79 N -3.40 0.19 -0.05 1.47 3.76 -1.26 -4.31 115.29 111.69 1lm0 s HIS 79 Ca 0.50 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1lm0 s HIS 79 Cb 0.43 -0.69 0.03 0.00 1.11 0.00 0.00 32.58 33.46 1lm0 s HIS 79 CO 0.02 -0.51 0.11 0.14 -0.85 0.00 0.00 174.74 173.65 1lm0 s VAL 80 N 2.14 -0.03 0.05 -0.90 -7.23 0.00 -0.97 120.40 113.47 1lm0 s VAL 80 Ca 0.02 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1lm0 s VAL 80 Cb -0.16 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.59 1lm0 s VAL 80 CO -0.09 0.05 0.12 0.00 -0.31 0.00 0.00 175.10 174.86 1lm0 s GLN 81 N 0.70 0.68 0.15 4.82 -2.07 0.11 0.01 119.66 124.05 1lm0 s GLN 81 Ca -0.05 -0.87 -0.17 0.00 -1.82 0.00 0.00 55.36 52.44 1lm0 s GLN 81 Cb -0.07 0.27 0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1lm0 s GLN 81 CO -0.03 -0.18 0.46 -0.59 -1.32 0.00 0.00 175.29 173.63 1lm0 s PHE 82 N -3.18 -0.24 0.00 9.60 -0.12 -0.24 -0.80 117.98 123.01 1lm0 s PHE 82 Ca -0.00 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 1lm0 s PHE 82 Cb 0.02 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1lm0 s PHE 82 CO -0.07 -0.77 0.03 0.00 -0.05 0.00 0.00 175.22 174.35 1lm0 s ALA 83 N -3.81 3.38 -0.01 1.99 0.00 -1.26 -0.58 121.76 121.47 1lm0 s ALA 83 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1lm0 s ALA 83 Cb 0.01 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 1lm0 s ALA 83 CO -0.10 0.66 -0.16 0.08 0.00 0.00 0.00 175.76 176.25 1lm0 s VAL 84 N -1.13 1.24 0.21 0.00 1.01 0.16 -4.05 120.40 117.84 1lm0 s VAL 84 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1lm0 s VAL 84 Cb -0.12 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1lm0 s VAL 84 CO 0.12 0.34 0.10 -1.38 0.00 0.00 0.00 175.10 174.27 1lm0 s HIS 85 N -0.38 1.29 -0.44 5.22 -3.43 0.09 -0.52 115.29 117.13 1lm0 s HIS 85 Ca 0.06 -1.25 0.06 0.00 -0.80 0.00 0.00 55.06 53.13 1lm0 s HIS 85 Cb -0.06 -0.71 0.16 0.00 -1.43 0.00 0.00 32.58 30.54 1lm0 s HIS 85 CO -0.01 -0.46 1.13 -3.47 -2.00 0.00 0.00 174.74 169.94 1lm0 n ASP 86 N -0.33 2.48 -2.09 7.38 2.03 -1.22 -0.57 116.55 124.24 1lm0 n ASP 86 Ca -0.00 -2.05 -0.19 0.00 0.52 0.00 0.00 54.79 53.07 1lm0 n ASP 86 Cb 0.66 -0.13 -0.04 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 -0.05 -5.27 -1.11 1.67 2.88 -1.26 -4.88 113.62 105.59 1lm0 n SER 87 Ca 0.06 0.20 -0.04 0.00 -1.33 0.00 0.00 58.87 57.76 1lm0 n SER 87 Cb 0.36 -4.51 0.14 0.00 -0.75 0.00 0.00 64.21 59.45 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 -2.70 3.38 -3.18 2.46 4.77 -1.26 -4.95 117.00 115.52 1lm0 n LEU 88 Ca -0.21 -4.13 -0.21 0.00 -0.03 0.00 0.00 56.01 51.43 1lm0 n LEU 88 Cb 0.65 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1lm0 n LEU 88 CO 0.27 1.61 0.22 0.61 -1.33 0.00 0.00 177.39 178.77 1lm0 n GLY 89 N -0.94 -0.35 3.36 -0.72 0.00 -1.26 -5.00 105.19 100.29 1lm0 n GLY 89 Ca 0.27 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 1lm0 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lm0 s GLY 90 N -3.27 -0.43 -0.08 -0.02 0.00 -1.26 -5.01 107.32 97.24 1lm0 s GLY 90 Ca 0.51 1.73 0.02 0.00 0.00 0.00 0.00 44.72 46.98 1lm0 s GLY 90 CO 0.63 2.27 -0.14 1.85 0.00 0.00 0.00 173.10 177.71 1lm0 s GLU 91 N 2.16 1.98 0.26 2.90 2.12 -1.26 -3.39 118.70 123.47 1lm0 s GLU 91 Ca -0.06 -0.50 0.08 0.00 0.36 0.00 0.00 54.97 54.85 1lm0 s GLU 91 Cb -0.10 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.62 1lm0 s GLU 91 CO -0.14 0.02 0.12 -1.50 -0.54 0.00 0.00 175.26 173.21 1lm0 s ILE 92 N 0.72 4.00 -0.10 -3.70 1.10 0.32 -4.93 121.20 118.62 1lm0 s ILE 92 Ca -0.13 -1.61 0.02 0.00 -0.51 0.00 0.00 60.65 58.41 1lm0 s ILE 92 Cb -0.16 -3.17 -0.02 0.00 0.15 0.00 0.00 42.46 39.27 1lm0 s ILE 92 CO 0.03 -0.35 -0.15 -0.76 -2.11 0.00 0.00 174.94 171.60 1lm0 s LEU 93 N -3.78 2.66 -0.06 8.50 1.43 -1.26 -0.67 118.68 125.50 1lm0 s LEU 93 Ca 0.33 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1lm0 s LEU 93 Cb -0.07 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1lm0 s LEU 93 CO 0.23 0.23 -0.14 -0.69 0.23 0.00 0.00 176.35 176.20 1lm0 s VAL 94 N -0.02 1.26 0.09 -1.59 1.01 0.25 -3.47 120.40 117.94 1lm0 s VAL 94 Ca -0.04 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1lm0 s VAL 94 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1lm0 s VAL 94 CO 0.04 0.38 0.04 0.42 0.00 0.00 0.00 175.10 175.98 1lm0 s THR 95 N 0.46 4.26 -0.09 3.92 -4.23 0.26 -1.08 115.64 119.14 1lm0 s THR 95 Ca -0.12 -0.91 -0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1lm0 s THR 95 Cb -0.14 -3.05 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1lm0 s THR 95 CO 0.04 0.10 0.26 -0.47 -0.54 0.00 0.00 174.62 174.01 1lm0 s TYR 96 N -1.38 -0.28 -0.28 3.99 6.14 0.10 -0.79 117.35 124.85 1lm0 s TYR 96 Ca 0.28 0.67 0.17 0.00 0.64 0.00 0.00 57.07 58.83 1lm0 s TYR 96 Cb -0.12 0.10 0.49 0.00 0.42 0.00 0.00 41.96 42.84 1lm0 s TYR 96 CO 0.20 -0.15 1.12 -0.40 0.64 0.00 0.00 175.55 176.96 1lm0 n ASP 97 N 2.84 2.73 -2.69 4.32 5.75 -1.26 -0.82 116.55 127.42 1lm0 n ASP 97 Ca -0.13 -2.69 -0.06 0.00 -0.01 0.00 0.00 54.79 51.90 1lm0 n ASP 97 Cb 0.58 -0.44 0.07 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.58 -1.62 0.00 -1.12 -0.08 -1.26 -4.75 116.55 107.15 1lm0 n ASP 98 Ca 0.20 -2.30 0.00 0.00 -1.51 0.00 0.00 54.79 51.18 1lm0 n ASP 98 Cb 0.85 1.19 0.00 0.00 2.34 0.00 0.00 41.12 45.49 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 -0.24 0.00 -3.75 -2.67 4.32 -1.21 -4.93 117.00 108.53 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 0.74 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.48 1lm0 n LEU 99 CO -0.08 -0.14 0.03 -0.76 -1.22 0.00 0.00 177.39 175.23 1lm0 s LEU 100 N 0.00 0.88 0.00 2.23 1.43 -1.26 -4.90 118.68 117.06 1lm0 s LEU 100 Ca 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1lm0 s LEU 100 Cb 0.00 1.40 0.00 0.00 0.03 0.00 0.00 46.19 47.62 1lm0 s LEU 100 CO 0.00 -0.69 0.04 -0.81 0.23 0.00 0.00 176.35 175.12 1lm0 n PRO 101 N 0.28 0.00 -0.27 1.29 -0.04 -1.26 -4.14 135.00 130.85 1lm0 n PRO 101 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1lm0 n PRO 101 Cb 0.61 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 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 -0.08 3.84 -0.17 3.54 9.92 -1.26 -4.73 116.55 127.62 1lm0 n ASP 102 Ca 0.00 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1lm0 n ASP 102 Cb 0.00 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 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 1.21 0.00 -2.73 0.64 -0.00 -1.26 -2.87 117.00 111.99 1lm0 n LEU 103 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1lm0 n LEU 103 Cb 0.43 -0.50 -0.03 0.00 -0.00 0.00 0.00 43.42 43.32 1lm0 n LEU 103 CO 0.00 0.00 -0.54 0.49 -0.00 0.00 0.00 177.39 177.34 1lm0 n PHE 104 N -0.17 -3.55 -1.49 1.47 3.01 -1.26 -4.97 117.46 110.50 1lm0 n PHE 104 Ca 0.00 1.92 -0.22 0.00 1.01 0.00 0.00 57.45 60.17 1lm0 n PHE 104 Cb 0.00 -3.41 0.12 0.00 -0.01 0.00 0.00 39.48 36.19 1lm0 n PHE 104 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1lm0 n ARG 105 N 1.55 2.54 -0.09 -1.08 1.74 -1.14 -5.01 116.66 115.17 1lm0 n ARG 105 Ca -0.24 -3.39 0.01 0.00 -0.77 0.00 0.00 57.85 53.45 1lm0 n ARG 105 Cb 0.40 -2.13 -0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1lm0 n ARG 105 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1lm0 n GLU 106 N -0.98 -0.22 -2.07 5.56 -0.58 -1.26 -4.76 120.64 116.33 1lm0 n GLU 106 Ca 0.50 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 57.29 1lm0 n GLU 106 Cb 1.03 -0.24 -0.02 0.00 -0.57 0.00 0.00 31.44 31.63 1lm0 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lm0 n GLY 107 N -2.01 0.08 3.14 0.62 0.00 0.11 -4.89 105.19 102.24 1lm0 n GLY 107 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.36 0.84 0.18 1.61 -2.07 -1.24 -4.94 119.66 109.67 1lm0 s GLN 108 Ca 0.00 -1.38 -0.15 0.00 -1.82 0.00 0.00 55.36 52.01 1lm0 s GLN 108 Cb 0.00 0.21 -0.07 0.00 -1.09 0.00 0.00 33.01 32.05 1lm0 s GLN 108 CO 0.00 -0.21 0.59 0.20 -1.32 0.00 0.00 175.29 174.55 1lm0 s GLY 109 N -3.02 2.46 0.06 2.60 0.00 -1.26 -0.63 107.32 107.52 1lm0 s GLY 109 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 1lm0 s GLY 109 CO -0.01 0.19 0.01 -0.26 0.00 0.00 0.00 173.10 173.02 1lm0 s ILE 110 N -1.55 0.21 -0.13 0.90 -5.25 -0.79 -4.11 121.20 110.48 1lm0 s ILE 110 Ca 0.41 -1.69 0.01 0.00 -0.99 0.00 0.00 60.65 58.39 1lm0 s ILE 110 Cb -0.15 -1.48 0.02 0.00 2.95 0.00 0.00 42.46 43.80 1lm0 s ILE 110 CO 0.20 -0.94 -0.16 0.68 -1.79 0.00 0.00 174.94 172.93 1lm0 s VAL 111 N -3.90 1.63 -0.14 8.37 -7.23 -0.01 -2.48 120.40 116.63 1lm0 s VAL 111 Ca 0.07 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1lm0 s VAL 111 Cb 0.07 -1.49 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1lm0 s VAL 111 CO -0.10 0.47 -0.14 0.00 -0.31 0.00 0.00 175.10 175.01 1lm0 s ALA 112 N 1.19 2.54 -0.13 1.32 0.00 0.71 -0.54 121.76 126.86 1lm0 s ALA 112 Ca -0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1lm0 s ALA 112 Cb -0.14 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1lm0 s ALA 112 CO -0.06 0.11 0.01 -1.14 0.00 0.00 0.00 175.76 174.68 1lm0 s GLN 113 N 0.58 3.40 0.03 0.00 0.74 0.63 -0.32 119.66 124.73 1lm0 s GLN 113 Ca -0.09 -0.42 -0.15 0.00 0.05 0.00 0.00 55.36 54.75 1lm0 s GLN 113 Cb -0.16 -2.92 0.05 0.00 1.10 0.00 0.00 33.01 31.08 1lm0 s GLN 113 CO 0.03 0.48 0.71 0.41 -0.55 0.00 0.00 175.29 176.38 1lm0 n GLY 114 N 2.83 0.57 3.23 2.59 0.00 -0.36 -2.51 105.19 111.54 1lm0 n GLY 114 Ca -0.18 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.14 1.63 0.20 1.61 0.11 0.11 -0.83 120.40 121.08 1lm0 s VAL 115 Ca 0.16 -0.98 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 1lm0 s VAL 115 Cb -0.01 -1.37 -0.08 0.00 -1.53 0.00 0.00 36.38 33.39 1lm0 s VAL 115 CO 0.01 0.38 1.01 -0.76 -3.33 0.00 0.00 175.10 172.40 1lm0 s LEU 116 N -0.70 4.56 -0.23 2.54 1.02 -0.88 -0.66 118.68 124.33 1lm0 s LEU 116 Ca 0.08 1.99 0.12 0.00 0.02 0.00 0.00 54.13 56.34 1lm0 s LEU 116 Cb -0.08 -3.61 0.33 0.00 0.02 0.00 0.00 46.19 42.85 1lm0 s LEU 116 CO 0.00 -0.03 1.35 0.61 0.02 0.00 0.00 176.35 178.30 1lm0 n GLY 117 N 1.75 1.61 0.94 -3.19 0.00 -1.19 -0.24 105.19 104.87 1lm0 n GLY 117 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.97 0.00 -4.33 1.61 2.13 -1.25 -5.00 120.64 112.84 1lm0 n GLU 118 Ca -0.16 -0.91 -0.37 0.00 0.66 0.00 0.00 57.16 56.37 1lm0 n GLU 118 Cb 0.84 0.33 -0.05 0.00 0.27 0.00 0.00 31.44 32.83 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 0.05 -2.19 0.00 4.31 8.00 -1.26 -3.37 116.55 122.09 1lm0 n ASP 119 Ca -0.19 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1lm0 n ASP 119 Cb 0.71 -2.27 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lm0 n GLY 120 N -1.43 0.17 3.89 0.44 0.00 -1.26 -4.71 105.19 102.30 1lm0 n GLY 120 Ca 0.03 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 3.47 -0.10 1.61 3.01 -1.22 -4.26 119.74 122.25 1lm0 s LYS 121 Ca 0.00 0.37 0.02 0.00 -1.01 0.00 0.00 55.97 55.35 1lm0 s LYS 121 Cb 0.00 -2.25 0.01 0.00 -1.01 0.00 0.00 37.83 34.58 1lm0 s LYS 121 CO 0.00 -0.41 -0.16 -0.51 0.51 0.00 0.00 175.35 174.78 1lm0 s LEU 122 N -4.94 1.74 -0.45 3.17 1.02 -1.23 -3.18 118.68 114.81 1lm0 s LEU 122 Ca 0.51 -0.42 -0.20 0.00 0.02 0.00 0.00 54.13 54.04 1lm0 s LEU 122 Cb -0.11 -1.08 0.03 0.00 0.02 0.00 0.00 46.19 45.05 1lm0 s LEU 122 CO 0.48 0.03 0.62 0.00 0.02 0.00 0.00 176.35 177.50 1lm0 s ALA 123 N 0.90 3.36 -0.28 4.21 0.00 0.17 -0.58 121.76 129.54 1lm0 s ALA 123 Ca -0.08 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 1lm0 s ALA 123 Cb -0.15 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1lm0 s ALA 123 CO -0.00 -1.83 0.09 0.00 0.00 0.00 0.00 175.76 174.02 1lm0 s ALA 124 N 2.73 1.25 -0.15 0.00 0.00 0.03 -0.72 121.76 124.91 1lm0 s ALA 124 Ca 0.20 -1.36 0.17 0.00 0.00 0.00 0.00 51.96 50.96 1lm0 s ALA 124 Cb -0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1lm0 s ALA 124 CO 0.17 -1.56 1.07 0.00 0.00 0.00 0.00 175.76 175.43 1lm0 h THR 125 N 6.48 0.59 -1.95 0.00 1.03 -1.79 -3.42 112.91 113.84 1lm0 h THR 125 Ca -0.15 -1.99 -0.73 0.00 -0.01 0.00 0.00 66.41 63.53 1lm0 h THR 125 Cb 1.03 2.13 -0.16 0.00 -1.07 0.00 0.00 68.15 70.08 1lm0 h THR 125 CO 0.44 0.33 1.51 -0.62 -0.01 0.00 0.00 175.52 177.17 1lm0 n GLU 126 N -2.99 3.36 -3.45 0.00 1.02 -1.04 -4.96 120.64 112.57 1lm0 n GLU 126 Ca -0.05 -3.76 -0.38 0.00 -0.02 0.00 0.00 57.16 52.95 1lm0 n GLU 126 Cb 0.78 -3.09 -0.09 0.00 -0.02 0.00 0.00 31.44 29.02 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 1.83 5.22 -0.28 2.62 -7.23 -1.26 -0.27 120.40 121.04 1lm0 s VAL 127 Ca 0.44 0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 61.08 1lm0 s VAL 127 Cb -0.01 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.30 1lm0 s VAL 127 CO 0.01 0.22 0.01 -0.76 -0.31 0.00 0.00 175.10 174.28 1lm0 s LEU 128 N 1.65 3.63 -0.38 1.32 2.01 0.30 -4.86 118.68 122.35 1lm0 s LEU 128 Ca 0.14 -0.92 0.07 0.00 0.01 0.00 0.00 54.13 53.43 1lm0 s LEU 128 Cb -0.15 -1.76 0.72 0.00 0.01 0.00 0.00 46.19 45.01 1lm0 s LEU 128 CO 0.09 -0.19 1.86 0.00 1.01 0.00 0.00 176.35 179.12 1lm0 n ALA 129 N 4.74 5.04 -0.65 4.21 0.00 -1.26 -0.83 120.51 131.76 1lm0 n ALA 129 Ca -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 53.44 50.68 1lm0 n ALA 129 Cb 0.46 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.56 1.28 -0.02 0.00 2.85 -1.26 -4.11 118.16 116.34 1lm0 n LYS 130 Ca 0.49 -0.38 -0.11 0.00 -1.05 0.00 0.00 58.31 57.26 1lm0 n LYS 130 Cb 1.52 -1.26 -0.09 0.00 -0.65 0.00 0.00 35.03 34.54 1lm0 n LYS 130 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1lm0 h HIS 131 N 1.44 -0.06 0.00 5.58 3.86 -1.88 -3.52 115.15 120.57 1lm0 h HIS 131 Ca 0.07 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1lm0 h HIS 131 Cb 1.08 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1lm0 h HIS 131 CO 0.59 0.56 0.00 -3.47 0.86 0.00 0.00 177.93 176.47