#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 0.24 -1.45 -3.46 0.01 -1.26 -4.89 114.94 104.13 1lm0 s ASN 33 Ca 0.00 -1.10 -0.09 0.00 -0.71 0.00 0.00 52.86 50.96 1lm0 s ASN 33 Cb 0.00 0.33 0.03 0.00 0.41 0.00 0.00 41.25 42.02 1lm0 s ASN 33 CO 0.00 -0.77 0.90 0.18 -1.51 0.00 0.00 177.10 175.90 1lm0 n LEU 34 N -0.12 -2.81 -2.71 0.60 4.77 -1.26 -4.91 117.00 110.56 1lm0 n LEU 34 Ca -0.06 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.34 1lm0 n LEU 34 Cb 0.63 -2.82 0.11 0.00 -2.33 0.00 0.00 43.42 39.01 1lm0 n LEU 34 CO 0.29 0.44 0.46 -0.46 -1.33 0.00 0.00 177.39 176.79 1lm0 n ASN 35 N -2.76 -2.01 -4.60 -1.43 6.94 -1.20 -4.14 115.26 106.06 1lm0 n ASN 35 Ca -0.02 -2.82 -0.28 0.00 -0.02 0.00 0.00 54.58 51.45 1lm0 n ASN 35 Cb 0.57 1.31 -0.09 0.00 -2.36 0.00 0.00 39.78 39.21 1lm0 n ASN 35 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 1lm0 s LEU 36 N -2.85 3.11 -0.20 -4.53 -0.00 -1.26 -4.85 118.68 108.10 1lm0 s LEU 36 Ca 0.21 -0.46 -0.24 0.00 -0.00 0.00 0.00 54.13 53.64 1lm0 s LEU 36 Cb 0.35 -1.81 -0.01 0.00 -0.00 0.00 0.00 46.19 44.72 1lm0 s LEU 36 CO -0.08 0.12 0.79 -0.36 -0.00 0.00 0.00 176.35 176.82 1lm0 s PHE 37 N -1.58 3.38 0.19 3.48 0.08 -1.26 -0.18 117.98 122.09 1lm0 s PHE 37 Ca 0.25 1.15 -0.02 0.00 0.12 0.00 0.00 56.93 58.43 1lm0 s PHE 37 Cb -0.10 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1lm0 s PHE 37 CO 0.16 -0.27 0.14 0.71 -0.10 0.00 0.00 175.22 175.86 1lm0 s TYR 38 N 2.29 1.06 0.18 0.36 2.02 -0.08 -4.98 117.35 118.19 1lm0 s TYR 38 Ca 0.35 -1.31 -0.10 0.00 -0.37 0.00 0.00 57.07 55.64 1lm0 s TYR 38 Cb -0.16 -0.50 -0.07 0.00 -0.40 0.00 0.00 41.96 40.83 1lm0 s TYR 38 CO 0.11 -0.64 0.51 0.95 -1.57 0.00 0.00 175.55 174.91 1lm0 s THR 39 N -4.13 4.96 0.35 -0.71 -4.23 -1.25 -0.66 115.64 109.96 1lm0 s THR 39 Ca 0.35 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1lm0 s THR 39 Cb 0.07 -3.65 0.24 0.00 1.34 0.00 0.00 72.50 70.49 1lm0 s THR 39 CO 0.10 0.07 1.98 1.55 -0.54 0.00 0.00 174.62 177.77 1lm0 h PRO 40 N 2.99 0.76 -1.00 3.99 0.13 -1.86 -2.02 132.00 134.99 1lm0 h PRO 40 Ca -0.47 -0.07 0.21 0.00 -0.87 0.00 0.00 66.00 64.80 1lm0 h PRO 40 Cb 1.18 -0.16 -0.10 0.00 0.13 0.00 0.00 31.00 32.05 1lm0 h PRO 40 CO 0.68 0.55 0.62 0.66 -0.23 0.00 0.00 178.00 180.28 1lm0 h SER 41 N 0.77 0.66 0.74 1.44 4.64 -1.85 -1.49 113.55 118.44 1lm0 h SER 41 Ca 0.20 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 1lm0 h SER 41 Cb 0.01 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1lm0 h SER 41 CO -0.03 0.20 -0.35 -0.08 -0.87 0.00 0.00 176.83 175.70 1lm0 h GLU 42 N 0.62 -0.95 -0.81 4.77 4.57 -1.71 -3.27 114.58 117.79 1lm0 h GLU 42 Ca 0.58 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.82 1lm0 h GLU 42 Cb 1.09 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1lm0 h GLU 42 CO -0.35 -0.63 0.00 0.44 -1.18 0.00 0.00 179.01 177.29 1lm0 n ILE 43 N -5.51 0.10 -0.07 2.32 -5.35 -0.57 -3.01 119.36 107.27 1lm0 n ILE 43 Ca -0.14 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.26 1lm0 n ILE 43 Cb 0.40 -0.44 -0.09 0.00 -1.74 0.00 0.00 39.64 37.77 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 0.20 0.92 -3.87 7.28 3.14 -1.22 -1.46 118.33 123.33 1lm0 n VAL 44 Ca 0.00 -0.49 -0.33 0.00 -2.96 0.00 0.00 64.34 60.56 1lm0 n VAL 44 Cb 0.21 -0.81 -0.12 0.00 -1.06 0.00 0.00 33.84 32.06 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1lm0 s ASN 45 N -4.97 4.85 -0.55 6.55 0.01 -1.16 -4.48 114.94 115.19 1lm0 s ASN 45 Ca -0.12 -2.61 -0.02 0.00 -0.71 0.00 0.00 52.86 49.41 1lm0 s ASN 45 Cb 0.05 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.97 1lm0 s ASN 45 CO 0.48 -0.36 0.47 0.61 -1.51 0.00 0.00 177.10 176.79 1lm0 n GLY 46 N 3.73 0.18 0.00 0.66 0.00 -1.26 -5.02 105.19 103.49 1lm0 n GLY 46 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.41 0.00 -0.33 1.61 4.01 -1.26 -4.68 118.16 115.11 1lm0 n LYS 47 Ca -0.07 0.00 0.15 0.00 -0.51 0.00 0.00 58.31 57.88 1lm0 n LYS 47 Cb 0.55 0.00 0.31 0.00 -0.51 0.00 0.00 35.03 35.38 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1lm0 h THR 48 N 0.00 0.07 -0.57 -0.18 2.02 -1.78 0.29 112.91 112.76 1lm0 h THR 48 Ca 0.00 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.28 1lm0 h THR 48 Cb 0.00 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.35 1lm0 h THR 48 CO 0.00 0.01 0.05 -0.78 0.37 0.00 0.00 175.52 175.17 1lm0 h ASP 49 N 0.04 -0.14 0.68 4.18 1.82 -1.52 -1.21 116.42 120.27 1lm0 h ASP 49 Ca 0.60 0.13 -0.23 0.00 -0.39 0.00 0.00 57.03 57.14 1lm0 h ASP 49 Cb 1.27 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.47 1lm0 h ASP 49 CO -0.86 -0.05 -1.02 0.74 -1.61 0.00 0.00 179.24 176.43 1lm0 h THR 50 N 0.17 1.54 -3.11 2.25 2.02 -0.87 -3.40 112.91 111.52 1lm0 h THR 50 Ca 0.30 -2.94 -0.11 0.00 0.77 0.00 0.00 66.41 64.43 1lm0 h THR 50 Cb 0.46 2.70 0.05 0.00 -1.74 0.00 0.00 68.15 69.63 1lm0 h THR 50 CO -0.44 0.85 -0.25 0.61 0.37 0.00 0.00 175.52 176.66 1lm0 n GLY 51 N 1.19 0.22 0.00 2.16 0.00 0.71 -4.97 105.19 104.50 1lm0 n GLY 51 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.22 0.00 0.25 1.61 0.24 -1.25 -4.86 118.33 112.10 1lm0 n VAL 52 Ca -0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 1lm0 n VAL 52 Cb 0.55 -0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.65 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 -0.63 -6.14 7.34 1.79 -1.89 -3.41 116.57 113.63 1lm0 h LYS 53 Ca 0.00 0.04 -0.57 0.00 -2.18 0.00 0.00 60.65 57.94 1lm0 h LYS 53 Cb 0.00 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 1lm0 h LYS 53 CO 0.00 -0.32 0.81 -1.25 -1.08 0.00 0.00 179.45 177.60 1lm0 s PRO 54 N -4.83 4.27 0.65 3.15 0.04 -1.26 -5.04 135.00 131.97 1lm0 s PRO 54 Ca -0.14 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.32 1lm0 s PRO 54 Cb 0.02 -3.67 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1lm0 s PRO 54 CO 0.51 -0.61 0.98 -1.21 0.04 0.00 0.00 177.00 176.71 1lm0 s GLU 55 N 3.12 2.75 1.07 4.56 0.41 -1.26 -4.50 118.70 124.84 1lm0 s GLU 55 Ca 0.49 0.08 -0.15 0.00 -0.41 0.00 0.00 54.97 54.98 1lm0 s GLU 55 Cb -0.19 -2.18 0.22 0.00 -1.78 0.00 0.00 34.13 30.21 1lm0 s GLU 55 CO 0.12 -0.91 1.12 0.00 -0.49 0.00 0.00 175.26 175.10 1lm0 s ALA 56 N -3.15 1.02 0.00 5.21 0.00 -1.26 -4.11 121.76 119.47 1lm0 s ALA 56 Ca 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1lm0 s ALA 56 Cb -0.11 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1lm0 s ALA 56 CO 0.47 -3.03 0.00 0.41 0.00 0.00 0.00 175.76 173.60 1lm0 n GLY 57 N -1.42 1.38 3.88 0.00 0.00 0.81 -4.91 105.19 104.93 1lm0 n GLY 57 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.11 3.69 -0.13 1.61 -0.21 -1.26 -4.77 119.66 118.49 1lm0 s GLN 58 Ca 0.00 0.06 -0.17 0.00 0.02 0.00 0.00 55.36 55.26 1lm0 s GLN 58 Cb 0.00 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.13 1lm0 s GLN 58 CO 0.00 0.46 0.44 1.03 -2.12 0.00 0.00 175.29 175.09 1lm0 s ARG 59 N -2.51 4.32 0.17 2.91 0.52 -1.26 -0.52 118.95 122.58 1lm0 s ARG 59 Ca 0.40 0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 55.95 1lm0 s ARG 59 Cb -0.12 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 1lm0 s ARG 59 CO 0.22 0.18 0.17 0.96 0.02 0.00 0.00 175.30 176.84 1lm0 s ILE 60 N 0.59 0.05 -0.23 1.52 -4.36 -1.26 -3.24 121.20 114.27 1lm0 s ILE 60 Ca 0.24 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1lm0 s ILE 60 Cb -0.15 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.43 1lm0 s ILE 60 CO 0.09 -0.23 -0.12 -0.13 0.24 0.00 0.00 174.94 174.79 1lm0 s ARG 61 N -4.07 2.70 -0.21 0.37 0.52 0.75 -3.35 118.95 115.66 1lm0 s ARG 61 Ca 0.27 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 54.26 1lm0 s ARG 61 Cb 0.06 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 1lm0 s ARG 61 CO 0.05 -0.39 0.48 0.54 0.02 0.00 0.00 175.30 176.00 1lm0 s VAL 62 N 1.25 5.13 -0.03 3.52 0.11 0.11 -0.90 120.40 129.58 1lm0 s VAL 62 Ca -0.01 0.85 -0.17 0.00 -2.93 0.00 0.00 61.98 59.72 1lm0 s VAL 62 Cb -0.17 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1lm0 s VAL 62 CO -0.07 0.18 0.38 -0.83 -3.33 0.00 0.00 175.10 171.43 1lm0 s GLY 63 N 1.22 -0.23 0.00 6.54 0.00 0.16 -0.37 107.32 114.64 1lm0 s GLY 63 Ca 0.22 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1lm0 s GLY 63 CO 0.09 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.14 1lm0 n GLY 64 N 1.38 -1.40 3.02 0.20 0.00 -1.07 -3.93 105.19 103.39 1lm0 n GLY 64 Ca -0.20 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 0.17 0.74 1.61 0.23 -1.09 -3.97 119.30 117.00 1lm0 s MET 65 Ca 0.00 0.45 -0.13 0.00 -1.03 0.00 0.00 55.69 54.98 1lm0 s MET 65 Cb 0.00 -0.11 0.05 0.00 -1.53 0.00 0.00 34.83 33.23 1lm0 s MET 65 CO 0.00 -0.15 1.13 0.54 -2.03 0.00 0.00 175.02 174.51 1lm0 s VAL 66 N 1.09 2.93 -1.01 5.16 0.11 -1.26 -1.13 120.40 126.29 1lm0 s VAL 66 Ca -0.08 0.38 0.08 0.00 -2.93 0.00 0.00 61.98 59.43 1lm0 s VAL 66 Cb -0.10 -2.83 0.07 0.00 -1.53 0.00 0.00 36.38 32.00 1lm0 s VAL 66 CO -0.07 -0.32 1.26 0.41 -3.33 0.00 0.00 175.10 173.05 1lm0 n THR 67 N -3.07 1.41 -3.48 5.04 -1.04 -0.22 -4.63 114.28 108.28 1lm0 n THR 67 Ca 0.11 0.35 -0.15 0.00 -2.04 0.00 0.00 64.05 62.32 1lm0 n THR 67 Cb 0.52 -1.21 0.01 0.00 -1.82 0.00 0.00 70.33 67.82 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 -1.49 -6.43 0.00 12.58 3.14 -1.26 -4.77 118.33 120.09 1lm0 n VAL 68 Ca 0.02 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1lm0 n VAL 68 Cb 0.10 -4.73 0.00 0.00 -1.06 0.00 0.00 33.84 28.14 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 -1.71 0.00 0.00 7.55 0.00 -1.26 -4.93 105.19 104.84 1lm0 n GLY 69 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.60 1.61 7.64 -1.26 -5.04 113.62 111.97 1lm0 n SER 70 Ca 0.00 -0.25 -0.43 0.00 1.01 0.00 0.00 58.87 59.20 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 3.16 -0.05 1.43 1.75 -1.26 -4.26 119.30 120.07 1lm0 s MET 71 Ca 0.00 1.88 0.05 0.00 -1.25 0.00 0.00 55.69 56.37 1lm0 s MET 71 Cb 0.00 -4.34 -0.00 0.00 2.84 0.00 0.00 34.83 33.33 1lm0 s MET 71 CO 0.00 -2.07 -0.19 0.14 -0.65 0.00 0.00 175.02 172.25 1lm0 s VAL 72 N 8.05 1.57 0.12 10.11 -7.23 -0.15 -5.01 120.40 127.86 1lm0 s VAL 72 Ca 0.96 -0.79 0.08 0.00 -1.81 0.00 0.00 61.98 60.42 1lm0 s VAL 72 Cb -0.30 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1lm0 s VAL 72 CO 0.35 0.45 -0.11 0.00 -0.31 0.00 0.00 175.10 175.48 1lm0 s ARG 73 N 0.03 2.07 0.61 4.82 1.70 -1.26 -0.77 118.95 126.15 1lm0 s ARG 73 Ca -0.05 -1.10 -0.10 0.00 -0.47 0.00 0.00 55.73 54.01 1lm0 s ARG 73 Cb -0.12 -2.25 -0.03 0.00 -0.57 0.00 0.00 34.95 31.98 1lm0 s ARG 73 CO 0.03 0.49 1.00 -0.51 -1.08 0.00 0.00 175.30 175.23 1lm0 s ASP 74 N -2.35 6.15 0.33 -2.89 1.11 -0.07 -4.98 116.67 113.96 1lm0 s ASP 74 Ca 0.22 1.31 0.16 0.00 0.18 0.00 0.00 52.55 54.43 1lm0 s ASP 74 Cb -0.10 -2.37 0.45 0.00 1.07 0.00 0.00 42.92 41.96 1lm0 s ASP 74 CO 0.14 -0.88 1.63 1.55 1.18 0.00 0.00 175.17 178.78 1lm0 h PRO 75 N -0.28 0.00 -1.10 8.23 0.13 -2.01 -2.86 132.00 134.12 1lm0 h PRO 75 Ca -0.44 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.05 1lm0 h PRO 75 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1lm0 h PRO 75 CO 0.62 0.47 0.65 -0.91 -0.23 0.00 0.00 178.00 178.60 1lm0 h ASN 76 N 0.00 0.40 0.00 1.44 2.35 -1.94 -3.45 115.58 114.38 1lm0 h ASN 76 Ca -0.00 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1lm0 h ASN 76 Cb 1.09 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1lm0 h ASN 76 CO 0.06 -0.19 0.00 -1.20 -1.65 0.00 0.00 177.43 174.45 1lm0 n SER 77 N -4.96 -0.84 -0.91 5.81 7.64 -1.08 -4.85 113.62 114.43 1lm0 n SER 77 Ca 0.34 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.25 1lm0 n SER 77 Cb 1.16 -0.22 0.16 0.00 -1.01 0.00 0.00 64.21 64.31 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 2.67 -3.66 -3.43 -0.00 -1.26 -4.63 117.00 106.69 1lm0 n LEU 78 Ca 0.00 -3.71 -0.10 0.00 -0.00 0.00 0.00 56.01 52.20 1lm0 n LEU 78 Cb 0.00 -0.42 -0.08 0.00 -0.00 0.00 0.00 43.42 42.92 1lm0 n LEU 78 CO 0.00 1.35 0.24 -1.00 -0.00 0.00 0.00 177.39 177.98 1lm0 s HIS 79 N -2.84 -0.82 -0.13 1.47 3.76 -0.86 -4.20 115.29 111.66 1lm0 s HIS 79 Ca 0.39 1.75 -0.09 0.00 -0.15 0.00 0.00 55.06 56.95 1lm0 s HIS 79 Cb 0.38 0.42 0.04 0.00 1.11 0.00 0.00 32.58 34.53 1lm0 s HIS 79 CO -0.07 -0.42 0.32 0.14 -0.85 0.00 0.00 174.74 173.86 1lm0 s VAL 80 N 1.24 -0.02 0.07 -0.90 -7.23 0.48 -0.89 120.40 113.14 1lm0 s VAL 80 Ca -0.07 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1lm0 s VAL 80 Cb -0.06 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1lm0 s VAL 80 CO -0.13 0.03 -0.05 0.00 -0.31 0.00 0.00 175.10 174.64 1lm0 s GLN 81 N 0.81 0.68 0.02 4.82 -2.07 0.05 -0.04 119.66 123.93 1lm0 s GLN 81 Ca -0.05 -1.19 -0.22 0.00 -1.82 0.00 0.00 55.36 52.08 1lm0 s GLN 81 Cb -0.06 0.00 0.05 0.00 -1.09 0.00 0.00 33.01 31.91 1lm0 s GLN 81 CO -0.06 -0.06 0.49 -0.59 -1.32 0.00 0.00 175.29 173.76 1lm0 s PHE 82 N -3.46 -0.39 -0.10 9.60 -0.12 -0.10 -0.98 117.98 122.42 1lm0 s PHE 82 Ca 0.06 0.49 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1lm0 s PHE 82 Cb 0.04 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 1lm0 s PHE 82 CO -0.07 -0.59 -0.10 0.00 -0.05 0.00 0.00 175.22 174.41 1lm0 s ALA 83 N -2.11 2.80 0.02 1.99 0.00 -1.26 -0.44 121.76 122.74 1lm0 s ALA 83 Ca -0.07 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1lm0 s ALA 83 Cb -0.01 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1lm0 s ALA 83 CO 0.01 0.40 -0.19 0.08 0.00 0.00 0.00 175.76 176.06 1lm0 s VAL 84 N -0.19 1.48 0.19 0.00 1.01 -0.00 -1.06 120.40 121.82 1lm0 s VAL 84 Ca 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.06 1lm0 s VAL 84 Cb -0.13 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1lm0 s VAL 84 CO 0.03 0.27 0.15 0.00 0.00 0.00 0.00 175.10 175.55 1lm0 n HIS 85 N 2.21 -0.41 -0.04 5.22 1.44 -0.29 -0.49 115.22 122.86 1lm0 n HIS 85 Ca -0.16 -1.55 0.00 0.00 -2.01 0.00 0.00 57.72 54.00 1lm0 n HIS 85 Cb 0.54 0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.80 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 -2.24 0.02 -1.92 4.39 2.03 -1.24 -2.67 116.55 114.92 1lm0 n ASP 86 Ca 0.04 -0.21 -0.19 0.00 0.52 0.00 0.00 54.79 54.95 1lm0 n ASP 86 Cb 0.33 0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.30 -5.40 0.00 1.67 2.88 -1.26 -4.92 113.62 106.29 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 0.01 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 58.99 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 -2.52 0.00 0.07 2.46 4.32 -1.26 -4.95 117.00 115.12 1lm0 n LEU 88 Ca -0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.71 1lm0 n LEU 88 Cb 0.65 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.55 1lm0 n LEU 88 CO 0.27 0.00 0.46 1.23 -1.22 0.00 0.00 177.39 178.13 1lm0 h GLY 89 N 0.00 0.34 0.00 -0.72 0.00 -1.92 -3.49 103.07 97.28 1lm0 h GLY 89 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1lm0 h GLY 89 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1lm0 n GLY 90 N 0.29 -0.32 3.54 4.60 0.00 -1.26 -4.86 105.19 107.18 1lm0 n GLY 90 Ca -0.03 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 1lm0 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 91 N -2.00 1.94 0.13 1.61 2.12 -1.26 -3.66 118.70 117.58 1lm0 s GLU 91 Ca 0.00 -1.59 0.00 0.00 0.36 0.00 0.00 54.97 53.74 1lm0 s GLU 91 Cb 0.00 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 1lm0 s GLU 91 CO 0.00 0.35 0.02 -1.50 -0.54 0.00 0.00 175.26 173.59 1lm0 s ILE 92 N -2.35 0.37 -0.12 -3.70 -1.16 0.35 -4.79 121.20 109.81 1lm0 s ILE 92 Ca 0.30 -1.93 -0.00 0.00 -0.51 0.00 0.00 60.65 58.51 1lm0 s ILE 92 Cb -0.06 -1.98 -0.02 0.00 0.61 0.00 0.00 42.46 41.01 1lm0 s ILE 92 CO 0.17 -0.57 -0.11 -0.76 -2.81 0.00 0.00 174.94 170.86 1lm0 s LEU 93 N -3.08 2.85 -0.11 8.50 1.43 -1.26 -0.82 118.68 126.19 1lm0 s LEU 93 Ca 0.21 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1lm0 s LEU 93 Cb 0.07 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1lm0 s LEU 93 CO 0.01 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.90 1lm0 s VAL 94 N 0.07 2.35 0.08 -1.59 1.01 0.41 -2.88 120.40 119.85 1lm0 s VAL 94 Ca -0.04 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1lm0 s VAL 94 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1lm0 s VAL 94 CO 0.04 0.55 0.02 0.42 0.00 0.00 0.00 175.10 176.13 1lm0 s THR 95 N 0.35 4.18 -0.07 3.92 -4.23 0.08 -0.92 115.64 118.94 1lm0 s THR 95 Ca -0.17 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.41 1lm0 s THR 95 Cb -0.17 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.71 1lm0 s THR 95 CO 0.08 0.13 0.17 -0.47 -0.54 0.00 0.00 174.62 173.99 1lm0 s TYR 96 N -1.32 -0.20 0.00 3.99 5.04 0.94 -0.56 117.35 125.24 1lm0 s TYR 96 Ca 0.27 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 1lm0 s TYR 96 Cb -0.12 -0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1lm0 s TYR 96 CO 0.19 -0.18 0.15 -0.40 -1.34 0.00 0.00 175.55 173.97 1lm0 n ASP 97 N 4.24 0.00 -4.51 4.32 5.75 -1.26 -0.39 116.55 124.71 1lm0 n ASP 97 Ca -0.26 0.15 -0.31 0.00 -0.01 0.00 0.00 54.79 54.36 1lm0 n ASP 97 Cb 0.52 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.28 -1.12 -4.76 -1.12 -0.08 -1.26 -2.04 116.55 105.89 1lm0 n ASP 98 Ca 0.00 0.19 -0.38 0.00 -1.51 0.00 0.00 54.79 53.09 1lm0 n ASP 98 Cb 0.00 -1.29 0.02 0.00 2.34 0.00 0.00 41.12 42.19 1lm0 n ASP 98 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1lm0 s LEU 99 N -4.63 3.96 0.72 -2.67 1.02 -1.26 -4.69 118.68 111.13 1lm0 s LEU 99 Ca 0.63 2.66 -0.14 0.00 0.02 0.00 0.00 54.13 57.31 1lm0 s LEU 99 Cb -0.22 -4.18 0.03 0.00 0.02 0.00 0.00 46.19 41.84 1lm0 s LEU 99 CO 0.63 -1.28 1.12 -0.76 0.02 0.00 0.00 176.35 176.08 1lm0 s LEU 100 N -3.18 3.25 0.00 1.79 1.43 -1.26 -5.05 118.68 115.66 1lm0 s LEU 100 Ca 0.67 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1lm0 s LEU 100 Cb -0.38 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.29 1lm0 s LEU 100 CO 0.46 -1.94 0.02 -0.81 0.23 0.00 0.00 176.35 174.30 1lm0 n PRO 101 N -2.86 0.00 0.00 1.29 -0.04 -1.26 -4.00 135.00 128.13 1lm0 n PRO 101 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1lm0 n PRO 101 Cb 0.52 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 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 -0.03 0.32 -1.47 3.54 9.92 -1.26 -4.72 116.55 122.85 1lm0 n ASP 102 Ca 0.00 -0.82 -0.14 0.00 -0.53 0.00 0.00 54.79 53.30 1lm0 n ASP 102 Cb 0.00 -0.16 -0.06 0.00 -0.64 0.00 0.00 41.12 40.26 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 0.12 -1.03 -3.16 0.64 7.94 -1.26 -4.02 117.00 116.24 1lm0 n LEU 103 Ca 0.00 0.33 -0.20 0.00 -1.11 0.00 0.00 56.01 55.03 1lm0 n LEU 103 Cb 0.08 -2.09 0.02 0.00 0.53 0.00 0.00 43.42 41.96 1lm0 n LEU 103 CO 0.00 -0.69 -0.19 0.33 -1.11 0.00 0.00 177.39 175.73 1lm0 n PHE 104 N -2.02 -2.88 0.14 1.96 -0.00 -1.26 -4.81 117.46 108.60 1lm0 n PHE 104 Ca -0.14 1.19 -0.09 0.00 -0.00 0.00 0.00 57.45 58.41 1lm0 n PHE 104 Cb 0.47 -2.79 0.07 0.00 -0.00 0.00 0.00 39.48 37.22 1lm0 n PHE 104 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1lm0 n ARG 105 N -0.02 1.51 0.00 -4.13 5.12 -1.26 -4.95 116.66 112.93 1lm0 n ARG 105 Ca 0.01 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 1lm0 n ARG 105 Cb 0.52 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1lm0 n ARG 105 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1lm0 n GLU 106 N -0.13 0.00 -3.55 5.56 1.02 -1.26 -4.87 120.64 117.41 1lm0 n GLU 106 Ca 0.23 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.19 1lm0 n GLU 106 Cb 0.95 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.34 1lm0 n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm0 n GLY 107 N -2.04 -0.16 2.66 0.62 0.00 -1.26 -4.82 105.19 100.18 1lm0 n GLY 107 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1lm0 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLN 108 N -2.84 1.15 -0.02 1.61 10.64 -1.26 -5.00 117.38 121.66 1lm0 n GLN 108 Ca -0.13 -2.37 0.00 0.00 -1.83 0.00 0.00 57.00 52.67 1lm0 n GLN 108 Cb 0.33 -0.59 0.00 0.00 -0.86 0.00 0.00 30.24 29.11 1lm0 n GLN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1lm0 n GLY 109 N -0.30 0.00 3.80 2.61 0.00 -1.26 -4.70 105.19 105.35 1lm0 n GLY 109 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 3.32 -0.06 -0.61 -5.25 -1.25 -4.49 121.20 112.85 1lm0 s ILE 110 Ca 0.00 -1.50 0.05 0.00 -0.99 0.00 0.00 60.65 58.20 1lm0 s ILE 110 Cb 0.00 -3.10 -0.00 0.00 2.95 0.00 0.00 42.46 42.31 1lm0 s ILE 110 CO 0.00 -0.17 -0.20 0.68 -1.79 0.00 0.00 174.94 173.46 1lm0 s VAL 111 N -2.36 1.68 -0.02 8.37 -7.23 -0.90 -2.60 120.40 117.34 1lm0 s VAL 111 Ca 0.40 -0.84 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 1lm0 s VAL 111 Cb -0.04 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 1lm0 s VAL 111 CO 0.25 0.48 -0.17 0.00 -0.31 0.00 0.00 175.10 175.34 1lm0 s ALA 112 N 0.09 1.46 0.04 1.32 0.00 0.50 -0.46 121.76 124.71 1lm0 s ALA 112 Ca -0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1lm0 s ALA 112 Cb -0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1lm0 s ALA 112 CO 0.04 0.32 0.07 1.14 0.00 0.00 0.00 175.76 177.33 1lm0 s GLN 113 N -0.22 0.59 0.00 0.00 -2.07 0.11 0.05 119.66 118.12 1lm0 s GLN 113 Ca 0.02 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.72 1lm0 s GLN 113 Cb -0.09 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1lm0 s GLN 113 CO 0.00 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 1lm0 n GLY 114 N 0.64 -1.64 3.40 2.60 0.00 -1.21 -0.41 105.19 108.57 1lm0 n GLY 114 Ca -0.18 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 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 1.03 0.02 0.34 1.61 0.11 0.30 -4.24 120.40 119.58 1lm0 s VAL 115 Ca 0.00 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 58.70 1lm0 s VAL 115 Cb 0.00 -0.87 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1lm0 s VAL 115 CO 0.00 -0.11 0.75 -0.76 -3.33 0.00 0.00 175.10 171.65 1lm0 s LEU 116 N -1.40 4.01 0.13 2.54 1.02 0.32 -0.58 118.68 124.72 1lm0 s LEU 116 Ca -0.11 1.27 0.00 0.00 0.02 0.00 0.00 54.13 55.31 1lm0 s LEU 116 Cb -0.02 -4.09 0.00 0.00 0.02 0.00 0.00 46.19 42.11 1lm0 s LEU 116 CO 0.06 -0.25 0.00 0.61 0.02 0.00 0.00 176.35 176.79 1lm0 n GLY 117 N -0.57 -0.95 3.76 -3.19 0.00 -1.25 -0.13 105.19 102.85 1lm0 n GLY 117 Ca 0.03 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1lm0 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm0 s GLU 118 N -2.00 3.68 -1.34 1.61 2.02 -1.21 -4.84 118.70 116.61 1lm0 s GLU 118 Ca 0.00 2.16 -0.09 0.00 0.02 0.00 0.00 54.97 57.07 1lm0 s GLU 118 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 1lm0 s GLU 118 CO 0.00 -0.73 2.86 -0.25 0.02 0.00 0.00 175.26 177.16 1lm0 n ASP 119 N -0.31 7.72 0.00 -0.19 9.92 -1.26 -2.45 116.55 129.98 1lm0 n ASP 119 Ca 0.06 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.81 1lm0 n ASP 119 Cb 0.44 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm0 n GLY 120 N 3.51 1.16 3.13 0.44 0.00 -1.26 -4.96 105.19 107.21 1lm0 n GLY 120 Ca 0.69 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.62 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 0.74 -0.11 1.61 3.01 -1.02 -4.58 119.74 119.39 1lm0 s LYS 121 Ca 0.00 -1.29 0.03 0.00 -1.01 0.00 0.00 55.97 53.70 1lm0 s LYS 121 Cb 0.00 0.05 -0.00 0.00 -1.01 0.00 0.00 37.83 36.86 1lm0 s LYS 121 CO 0.00 -0.09 -0.22 -0.51 0.51 0.00 0.00 175.35 175.04 1lm0 s LEU 122 N -2.99 2.18 -0.77 3.17 2.01 -1.14 -3.36 118.68 117.78 1lm0 s LEU 122 Ca 0.11 -0.53 -0.20 0.00 0.01 0.00 0.00 54.13 53.52 1lm0 s LEU 122 Cb 0.07 -1.44 0.11 0.00 0.01 0.00 0.00 46.19 44.94 1lm0 s LEU 122 CO -0.07 0.15 0.98 0.00 1.01 0.00 0.00 176.35 178.42 1lm0 s ALA 123 N 0.40 3.32 -0.06 4.21 0.00 0.26 -0.74 121.76 129.14 1lm0 s ALA 123 Ca -0.16 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.42 1lm0 s ALA 123 Cb -0.17 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1lm0 s ALA 123 CO 0.07 -2.77 -0.03 0.00 0.00 0.00 0.00 175.76 173.03 1lm0 s ALA 124 N 3.05 3.13 0.00 0.00 0.00 0.28 -0.54 121.76 127.68 1lm0 s ALA 124 Ca 0.25 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1lm0 s ALA 124 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1lm0 s ALA 124 CO 0.00 0.59 0.00 -2.37 0.00 0.00 0.00 175.76 173.98 1lm0 n THR 125 N 2.04 0.00 -2.69 0.00 5.66 0.46 -4.03 114.28 115.72 1lm0 n THR 125 Ca -0.18 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.40 1lm0 n THR 125 Cb 0.53 -1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.28 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1lm0 s GLU 126 N -1.93 3.22 -0.28 1.09 2.12 -0.31 -4.86 118.70 117.75 1lm0 s GLU 126 Ca 0.00 -0.38 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 1lm0 s GLU 126 Cb 0.00 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.23 1lm0 s GLU 126 CO 0.00 -1.91 0.06 0.14 -0.54 0.00 0.00 175.26 173.01 1lm0 s VAL 127 N 4.89 3.93 -0.30 3.70 -7.23 -1.26 -0.71 120.40 123.43 1lm0 s VAL 127 Ca 0.31 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 59.84 1lm0 s VAL 127 Cb -0.11 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.88 1lm0 s VAL 127 CO 0.15 0.17 0.06 -0.76 -0.31 0.00 0.00 175.10 174.41 1lm0 s LEU 128 N 1.51 3.88 -0.76 1.32 2.01 0.39 -4.91 118.68 122.12 1lm0 s LEU 128 Ca 0.04 -0.89 -0.02 0.00 0.01 0.00 0.00 54.13 53.27 1lm0 s LEU 128 Cb -0.16 -1.83 0.39 0.00 0.01 0.00 0.00 46.19 44.59 1lm0 s LEU 128 CO 0.02 -0.22 2.04 0.00 1.01 0.00 0.00 176.35 179.20 1lm0 n ALA 129 N 4.81 6.44 -0.96 4.21 0.00 -1.26 -2.12 120.51 131.62 1lm0 n ALA 129 Ca -0.14 -3.82 -0.11 0.00 0.00 0.00 0.00 53.44 49.37 1lm0 n ALA 129 Cb 0.47 -1.90 -0.15 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.68 1.91 0.11 0.00 0.00 -1.26 -4.55 118.16 113.68 1lm0 n LYS 130 Ca 0.58 -0.95 -0.13 0.00 -0.00 0.00 0.00 58.31 57.81 1lm0 n LYS 130 Cb 0.42 -1.90 -0.08 0.00 -0.00 0.00 0.00 35.03 33.47 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1lm0 h HIS 131 N 2.78 -0.26 0.00 5.58 2.07 -1.84 -3.52 115.15 119.97 1lm0 h HIS 131 Ca 0.18 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 1lm0 h HIS 131 Cb 1.43 0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.50 1lm0 h HIS 131 CO 1.61 0.08 0.00 -3.47 -3.07 0.00 0.00 177.93 173.08