#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 6.37 0.44 -3.46 0.01 -1.26 -5.11 114.94 111.93 1lm0 s ASN 33 Ca 0.00 0.31 -0.19 0.00 -0.71 0.00 0.00 52.86 52.27 1lm0 s ASN 33 Cb 0.00 -1.98 -0.10 0.00 0.41 0.00 0.00 41.25 39.58 1lm0 s ASN 33 CO 0.00 0.20 0.93 -0.22 -1.51 0.00 0.00 177.10 176.50 1lm0 s LEU 34 N -2.32 3.87 -0.01 0.60 0.20 -1.26 -4.97 118.68 114.79 1lm0 s LEU 34 Ca 0.33 1.60 -0.20 0.00 0.69 0.00 0.00 54.13 56.55 1lm0 s LEU 34 Cb -0.13 -4.47 0.04 0.00 -0.43 0.00 0.00 46.19 41.20 1lm0 s LEU 34 CO 0.25 -0.40 0.42 0.54 -0.29 0.00 0.00 176.35 176.87 1lm0 s ASN 35 N -2.43 -0.33 0.24 3.68 6.03 -1.26 -4.67 114.94 116.19 1lm0 s ASN 35 Ca 0.60 0.23 -0.22 0.00 -1.03 0.00 0.00 52.86 52.44 1lm0 s ASN 35 Cb -0.09 0.39 0.04 0.00 -3.03 0.00 0.00 41.25 38.56 1lm0 s ASN 35 CO 0.18 -0.53 0.84 -1.48 -2.03 0.00 0.00 177.10 174.08 1lm0 s LEU 36 N -1.41 -0.19 -0.32 3.54 -0.00 -1.26 -4.98 118.68 114.06 1lm0 s LEU 36 Ca -0.11 -0.58 -0.18 0.00 -0.00 0.00 0.00 54.13 53.26 1lm0 s LEU 36 Cb -0.03 2.49 -0.01 0.00 -0.00 0.00 0.00 46.19 48.63 1lm0 s LEU 36 CO 0.05 -1.19 0.50 -0.36 -0.00 0.00 0.00 176.35 175.34 1lm0 s PHE 37 N -3.45 3.21 0.34 3.48 0.40 -1.26 -0.84 117.98 119.86 1lm0 s PHE 37 Ca 0.12 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1lm0 s PHE 37 Cb -0.04 -2.84 -0.01 0.00 0.51 0.00 0.00 43.02 40.65 1lm0 s PHE 37 CO 0.06 -0.45 0.42 1.52 0.70 0.00 0.00 175.22 177.47 1lm0 s TYR 38 N 2.33 1.24 0.53 0.36 -0.85 -0.73 -4.96 117.35 115.28 1lm0 s TYR 38 Ca 0.19 -1.39 -0.20 0.00 -0.52 0.00 0.00 57.07 55.15 1lm0 s TYR 38 Cb -0.16 -0.25 -0.06 0.00 0.38 0.00 0.00 41.96 41.87 1lm0 s TYR 38 CO 0.12 -1.07 1.11 0.95 -1.52 0.00 0.00 175.55 175.14 1lm0 s THR 39 N -3.15 3.33 0.12 -3.49 -4.23 -1.25 0.34 115.64 107.31 1lm0 s THR 39 Ca 0.33 0.82 -0.19 0.00 -1.18 0.00 0.00 61.69 61.47 1lm0 s THR 39 Cb 0.00 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 1lm0 s THR 39 CO 0.22 -0.18 1.76 1.55 -0.54 0.00 0.00 174.62 177.43 1lm0 h PRO 40 N 1.27 0.32 -1.01 3.99 0.13 -1.86 -3.16 132.00 131.67 1lm0 h PRO 40 Ca -0.50 -0.02 0.28 0.00 -0.87 0.00 0.00 66.00 64.89 1lm0 h PRO 40 Cb 1.25 -0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 1lm0 h PRO 40 CO 0.57 0.24 0.60 1.03 -0.23 0.00 0.00 178.00 180.21 1lm0 h SER 41 N 0.30 0.58 -0.57 1.44 0.87 -1.88 0.27 113.55 114.56 1lm0 h SER 41 Ca 0.09 0.16 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 1lm0 h SER 41 Cb -0.00 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 61.93 1lm0 h SER 41 CO -0.02 -0.00 -0.47 -0.08 -0.53 0.00 0.00 176.83 175.73 1lm0 h GLU 42 N 0.45 -0.24 -1.52 2.24 4.81 -1.91 -1.36 114.58 117.05 1lm0 h GLU 42 Ca 0.68 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.89 1lm0 h GLU 42 Cb 1.47 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 1lm0 h GLU 42 CO -0.52 -0.16 0.05 0.44 -0.73 0.00 0.00 179.01 178.09 1lm0 n ILE 43 N -5.39 1.67 -0.01 2.32 -0.00 0.93 -3.63 119.36 115.25 1lm0 n ILE 43 Ca 0.01 -0.41 -0.02 0.00 -0.00 0.00 0.00 62.75 62.33 1lm0 n ILE 43 Cb 0.34 -1.25 -0.02 0.00 -0.00 0.00 0.00 39.64 38.72 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1lm0 n VAL 44 N 0.93 0.16 -3.96 7.28 0.31 -0.51 -3.95 118.33 118.58 1lm0 n VAL 44 Ca 0.04 -0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 63.99 1lm0 n VAL 44 Cb 0.54 -0.78 -0.16 0.00 -0.91 0.00 0.00 33.84 32.52 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 -3.75 2.90 -1.29 4.52 0.01 -1.24 -4.25 114.94 111.85 1lm0 s ASN 45 Ca -0.02 -0.65 -0.04 0.00 -0.71 0.00 0.00 52.86 51.44 1lm0 s ASN 45 Cb 0.01 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.59 1lm0 s ASN 45 CO 0.08 -0.13 0.54 0.61 -1.51 0.00 0.00 177.10 176.69 1lm0 n GLY 46 N 4.79 -0.32 0.00 0.66 0.00 -1.26 -4.88 105.19 104.18 1lm0 n GLY 46 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.54 0.00 0.09 1.61 5.02 -1.26 -4.55 118.16 115.53 1lm0 n LYS 47 Ca -0.09 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.16 1lm0 n LYS 47 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.59 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1lm0 h THR 48 N 0.00 0.00 -0.61 -0.18 2.02 -1.79 0.21 112.91 112.57 1lm0 h THR 48 Ca 0.00 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 66.97 1lm0 h THR 48 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.30 1lm0 h THR 48 CO 0.00 0.00 -0.07 -0.78 0.37 0.00 0.00 175.52 175.04 1lm0 h ASP 49 N -0.61 -0.41 1.34 4.18 1.82 -1.74 0.16 116.42 121.16 1lm0 h ASP 49 Ca -0.03 0.17 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 1lm0 h ASP 49 Cb 0.21 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 1lm0 h ASP 49 CO 0.05 -0.16 -0.20 0.74 -1.61 0.00 0.00 179.24 178.06 1lm0 h THR 50 N 0.06 0.41 -5.83 2.25 2.02 -1.78 -3.46 112.91 106.58 1lm0 h THR 50 Ca 0.31 -1.26 -0.38 0.00 0.77 0.00 0.00 66.41 65.84 1lm0 h THR 50 Cb 0.49 1.94 0.13 0.00 -1.74 0.00 0.00 68.15 68.97 1lm0 h THR 50 CO -0.57 0.20 -0.73 0.61 0.37 0.00 0.00 175.52 175.40 1lm0 n GLY 51 N 0.62 -0.46 0.11 2.16 0.00 0.72 -4.90 105.19 103.44 1lm0 n GLY 51 Ca 0.02 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.63 1.47 0.00 1.61 0.24 -0.98 -4.87 118.33 111.17 1lm0 n VAL 52 Ca -0.11 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.45 1lm0 n VAL 52 Cb 0.60 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 -3.00 0.00 -2.31 7.34 4.76 -1.26 -4.93 118.16 118.76 1lm0 n LYS 53 Ca -0.36 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.74 1lm0 n LYS 53 Cb 1.08 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 34.24 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 -0.83 3.12 0.78 1.97 0.04 -1.26 -4.97 135.00 133.85 1lm0 s PRO 54 Ca 0.00 -0.96 -0.11 0.00 0.04 0.00 0.00 61.00 59.97 1lm0 s PRO 54 Cb 0.00 -5.26 0.07 0.00 0.04 0.00 0.00 34.50 29.34 1lm0 s PRO 54 CO 0.00 -2.90 1.12 -1.21 0.04 0.00 0.00 177.00 174.05 1lm0 s GLU 55 N 5.82 2.05 1.08 4.56 2.02 -1.26 -4.51 118.70 128.45 1lm0 s GLU 55 Ca 0.59 1.34 -0.12 0.00 0.02 0.00 0.00 54.97 56.79 1lm0 s GLU 55 Cb -0.02 -1.86 0.24 0.00 0.10 0.00 0.00 34.13 32.59 1lm0 s GLU 55 CO -0.01 -1.83 1.06 0.00 0.02 0.00 0.00 175.26 174.51 1lm0 s ALA 56 N -2.69 0.19 0.00 5.21 0.00 -1.26 -3.87 121.76 119.35 1lm0 s ALA 56 Ca 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1lm0 s ALA 56 Cb -0.20 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1lm0 s ALA 56 CO 0.53 -3.40 0.00 0.41 0.00 0.00 0.00 175.76 173.30 1lm0 n GLY 57 N 0.16 0.73 3.92 0.00 0.00 -1.26 -5.01 105.19 103.74 1lm0 n GLY 57 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.05 3.47 0.13 1.61 -0.21 -1.25 -4.87 119.66 118.49 1lm0 s GLN 58 Ca 0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 1lm0 s GLN 58 Cb 0.00 -2.98 -0.06 0.00 1.00 0.00 0.00 33.01 30.96 1lm0 s GLN 58 CO 0.00 0.55 0.45 1.03 -2.12 0.00 0.00 175.29 175.21 1lm0 s ARG 59 N -2.76 3.78 0.37 2.91 0.52 -1.26 -0.85 118.95 121.66 1lm0 s ARG 59 Ca 0.36 0.21 -0.06 0.00 -0.52 0.00 0.00 55.73 55.71 1lm0 s ARG 59 Cb -0.12 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.48 1lm0 s ARG 59 CO 0.28 0.48 0.60 0.96 0.02 0.00 0.00 175.30 177.64 1lm0 s ILE 60 N -1.54 0.00 -0.08 1.52 -4.36 -0.92 -4.31 121.20 111.51 1lm0 s ILE 60 Ca 0.38 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.37 1lm0 s ILE 60 Cb -0.13 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.81 1lm0 s ILE 60 CO 0.20 0.00 -0.00 -0.13 0.24 0.00 0.00 174.94 175.25 1lm0 s ARG 61 N -2.62 0.67 0.23 0.37 1.81 -0.02 -3.14 118.95 116.26 1lm0 s ARG 61 Ca 0.25 0.05 -0.20 0.00 -1.72 0.00 0.00 55.73 54.12 1lm0 s ARG 61 Cb -0.02 -1.08 -0.08 0.00 -0.45 0.00 0.00 34.95 33.31 1lm0 s ARG 61 CO 0.18 -0.32 0.74 0.54 -0.68 0.00 0.00 175.30 175.77 1lm0 s VAL 62 N 1.95 4.54 -0.33 3.52 0.11 0.11 -1.77 120.40 128.52 1lm0 s VAL 62 Ca 0.05 1.32 0.04 0.00 -2.93 0.00 0.00 61.98 60.45 1lm0 s VAL 62 Cb -0.13 -3.86 0.16 0.00 -1.53 0.00 0.00 36.38 31.03 1lm0 s VAL 62 CO -0.06 0.19 0.45 -0.83 -3.33 0.00 0.00 175.10 171.52 1lm0 s GLY 63 N -1.67 -0.59 0.00 6.54 0.00 0.15 -0.21 107.32 111.55 1lm0 s GLY 63 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1lm0 s GLY 63 CO 0.21 3.11 0.00 0.61 0.00 0.00 0.00 173.10 177.03 1lm0 n GLY 64 N 4.91 2.97 3.82 0.20 0.00 -1.15 -3.81 105.19 112.13 1lm0 n GLY 64 Ca 0.05 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.70 3.61 -0.13 1.61 0.23 -0.18 -2.28 119.30 121.45 1lm0 s MET 65 Ca 0.00 -0.18 -0.17 0.00 -1.03 0.00 0.00 55.69 54.31 1lm0 s MET 65 Cb 0.00 -3.22 -0.04 0.00 -1.53 0.00 0.00 34.83 30.04 1lm0 s MET 65 CO 0.00 0.64 0.44 0.54 -2.03 0.00 0.00 175.02 174.61 1lm0 s VAL 66 N -0.63 5.21 0.55 5.16 0.11 -0.71 -1.20 120.40 128.89 1lm0 s VAL 66 Ca 0.13 0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 59.83 1lm0 s VAL 66 Cb -0.12 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 1lm0 s VAL 66 CO 0.02 0.33 1.34 -0.89 -3.33 0.00 0.00 175.10 172.57 1lm0 s THR 67 N 0.68 2.13 0.10 5.04 2.01 -1.26 -3.28 115.64 121.05 1lm0 s THR 67 Ca 0.24 0.09 -0.32 0.00 0.31 0.00 0.00 61.69 62.01 1lm0 s THR 67 Cb -0.15 -3.05 -0.13 0.00 0.01 0.00 0.00 72.50 69.18 1lm0 s THR 67 CO 0.09 -0.00 1.52 1.62 -0.69 0.00 0.00 174.62 177.15 1lm0 h VAL 68 N 1.41 0.00 -0.71 3.82 3.04 -1.95 -3.02 116.25 118.84 1lm0 h VAL 68 Ca -0.51 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.59 1lm0 h VAL 68 Cb 1.30 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 30.49 1lm0 h VAL 68 CO 0.57 0.00 1.89 0.61 -1.01 0.00 0.00 177.57 179.63 1lm0 n GLY 69 N -1.45 4.50 0.00 3.17 0.00 -1.26 -4.13 105.19 106.02 1lm0 n GLY 69 Ca -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 2.05 4.01 -4.68 1.61 7.64 -1.14 -5.02 113.62 118.08 1lm0 n SER 70 Ca 0.60 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 60.06 1lm0 n SER 70 Cb 0.41 0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.89 4.28 -0.05 1.43 1.75 -1.26 -3.66 119.30 119.91 1lm0 s MET 71 Ca 0.00 1.89 0.02 0.00 -1.25 0.00 0.00 55.69 56.35 1lm0 s MET 71 Cb 0.00 -3.63 0.01 0.00 2.84 0.00 0.00 34.83 34.06 1lm0 s MET 71 CO 0.00 -0.59 -0.09 0.14 -0.65 0.00 0.00 175.02 173.83 1lm0 s VAL 72 N 2.63 0.85 0.08 10.11 -7.23 0.01 -5.01 120.40 121.84 1lm0 s VAL 72 Ca 0.62 -0.34 0.08 0.00 -1.81 0.00 0.00 61.98 60.53 1lm0 s VAL 72 Cb -0.29 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1lm0 s VAL 72 CO 0.24 0.28 -0.19 0.00 -0.31 0.00 0.00 175.10 175.12 1lm0 s ARG 73 N 0.57 1.86 0.22 4.82 1.70 -1.26 -0.76 118.95 126.11 1lm0 s ARG 73 Ca -0.10 -1.11 -0.00 0.00 -0.47 0.00 0.00 55.73 54.05 1lm0 s ARG 73 Cb -0.13 -2.12 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 1lm0 s ARG 73 CO 0.02 0.50 0.41 -0.51 -1.08 0.00 0.00 175.30 174.64 1lm0 s ASP 74 N -1.80 6.37 0.00 -2.89 1.01 0.09 -4.98 116.67 114.48 1lm0 s ASP 74 Ca 0.16 0.40 -0.01 0.00 0.71 0.00 0.00 52.55 53.80 1lm0 s ASP 74 Cb -0.10 -2.01 -0.06 0.00 1.01 0.00 0.00 42.92 41.76 1lm0 s ASP 74 CO 0.07 -0.08 1.97 -0.81 0.21 0.00 0.00 175.17 176.54 1lm0 n PRO 75 N -0.84 1.01 -0.11 8.23 -0.04 -1.26 -3.29 135.00 138.70 1lm0 n PRO 75 Ca -0.05 -0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.02 1lm0 n PRO 75 Cb 0.54 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.89 2.19 0.00 3.54 3.02 -1.26 -5.03 115.26 119.61 1lm0 n ASN 76 Ca 0.10 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1lm0 n ASN 76 Cb 0.49 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 -3.27 0.00 -0.77 6.41 7.64 -1.21 -4.88 113.62 117.53 1lm0 n SER 77 Ca -0.40 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.50 1lm0 n SER 77 Cb 0.91 0.00 0.20 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 3.24 -3.69 -3.43 -0.00 -1.26 -4.09 117.00 107.77 1lm0 n LEU 78 Ca 0.00 -3.77 -0.25 0.00 -0.00 0.00 0.00 56.01 51.99 1lm0 n LEU 78 Cb 0.00 -0.56 -0.17 0.00 -0.00 0.00 0.00 43.42 42.69 1lm0 n LEU 78 CO 0.00 1.28 -0.35 -1.00 -0.00 0.00 0.00 177.39 177.32 1lm0 s HIS 79 N -3.20 0.52 -0.02 1.47 3.76 -1.26 -2.84 115.29 113.72 1lm0 s HIS 79 Ca 0.40 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.90 1lm0 s HIS 79 Cb 0.38 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 33.28 1lm0 s HIS 79 CO -0.03 -0.46 0.07 0.14 -0.85 0.00 0.00 174.74 173.61 1lm0 s VAL 80 N 2.03 0.03 0.06 -0.90 -7.23 -0.13 -0.73 120.40 113.53 1lm0 s VAL 80 Ca 0.02 -0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1lm0 s VAL 80 Cb -0.15 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1lm0 s VAL 80 CO -0.07 -0.15 -0.04 0.00 -0.31 0.00 0.00 175.10 174.53 1lm0 s GLN 81 N -0.46 0.64 -0.12 4.82 -2.07 0.06 -0.53 119.66 122.00 1lm0 s GLN 81 Ca -0.05 -1.23 -0.14 0.00 -1.82 0.00 0.00 55.36 52.12 1lm0 s GLN 81 Cb -0.03 0.13 0.04 0.00 -1.09 0.00 0.00 33.01 32.05 1lm0 s GLN 81 CO 0.00 -0.09 0.39 -0.59 -1.32 0.00 0.00 175.29 173.68 1lm0 s PHE 82 N -3.80 -0.39 0.25 9.60 -0.12 0.19 -0.81 117.98 122.91 1lm0 s PHE 82 Ca 0.07 0.90 -0.23 0.00 -0.05 0.00 0.00 56.93 57.62 1lm0 s PHE 82 Cb 0.07 0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.52 1lm0 s PHE 82 CO -0.09 -0.26 0.81 0.00 -0.05 0.00 0.00 175.22 175.64 1lm0 s ALA 83 N -0.14 3.34 -0.02 1.99 0.00 -1.24 -0.51 121.76 125.18 1lm0 s ALA 83 Ca -0.03 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1lm0 s ALA 83 Cb -0.03 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1lm0 s ALA 83 CO 0.02 0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.97 1lm0 s VAL 84 N -1.50 1.19 0.33 0.00 1.01 0.19 -4.47 120.40 117.15 1lm0 s VAL 84 Ca 0.45 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1lm0 s VAL 84 Cb -0.18 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1lm0 s VAL 84 CO 0.23 0.34 0.14 -1.38 0.00 0.00 0.00 175.10 174.44 1lm0 s HIS 85 N -0.16 1.68 -0.06 5.22 -3.43 -0.34 -0.71 115.29 117.49 1lm0 s HIS 85 Ca 0.02 -1.32 0.01 0.00 -0.80 0.00 0.00 55.06 52.97 1lm0 s HIS 85 Cb -0.08 -0.96 0.00 0.00 -1.43 0.00 0.00 32.58 30.12 1lm0 s HIS 85 CO 0.00 -0.43 0.35 -3.47 -2.00 0.00 0.00 174.74 169.20 1lm0 n ASP 86 N -0.99 0.71 -2.22 7.38 2.03 -1.20 -1.01 116.55 121.25 1lm0 n ASP 86 Ca -0.01 -0.86 -0.20 0.00 0.52 0.00 0.00 54.79 54.25 1lm0 n ASP 86 Cb 0.65 0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 41.35 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 -0.31 -5.61 -1.17 1.67 7.64 -1.26 -4.89 113.62 109.68 1lm0 n SER 87 Ca 0.00 0.12 0.10 0.00 1.01 0.00 0.00 58.87 60.10 1lm0 n SER 87 Cb 0.01 -4.74 0.28 0.00 -1.01 0.00 0.00 64.21 58.75 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 -2.84 3.70 -0.57 -3.43 7.99 -1.26 -4.94 117.00 115.65 1lm0 n LEU 88 Ca -0.23 -1.99 0.00 0.00 -0.01 0.00 0.00 56.01 53.78 1lm0 n LEU 88 Cb 0.68 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1lm0 n LEU 88 CO 0.28 0.92 0.00 0.61 -1.51 0.00 0.00 177.39 177.69 1lm0 n GLY 89 N 1.36 0.57 3.57 -0.72 0.00 -1.26 -5.09 105.19 103.62 1lm0 n GLY 89 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.35 -0.15 0.02 -0.02 0.00 -1.26 -4.95 107.32 98.61 1lm0 s GLY 90 Ca 0.00 3.01 0.06 0.00 0.00 0.00 0.00 44.72 47.80 1lm0 s GLY 90 CO 0.00 2.81 -0.18 1.85 0.00 0.00 0.00 173.10 177.58 1lm0 s GLU 91 N 1.80 1.33 0.05 2.90 2.12 -1.26 -3.22 118.70 122.42 1lm0 s GLU 91 Ca -0.07 -0.78 0.04 0.00 0.36 0.00 0.00 54.97 54.53 1lm0 s GLU 91 Cb -0.05 -1.36 -0.02 0.00 0.26 0.00 0.00 34.13 32.96 1lm0 s GLU 91 CO -0.16 0.36 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.29 1lm0 s ILE 92 N -0.64 0.95 -0.24 -3.70 1.10 0.11 -4.90 121.20 113.88 1lm0 s ILE 92 Ca 0.06 -1.04 -0.15 0.00 -0.51 0.00 0.00 60.65 59.02 1lm0 s ILE 92 Cb -0.08 -0.90 -0.04 0.00 0.15 0.00 0.00 42.46 41.60 1lm0 s ILE 92 CO 0.01 -0.13 0.35 -0.76 -2.11 0.00 0.00 174.94 172.30 1lm0 s LEU 93 N -1.31 4.09 -0.25 8.50 1.43 -1.26 -0.63 118.68 129.25 1lm0 s LEU 93 Ca -0.02 0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1lm0 s LEU 93 Cb -0.08 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1lm0 s LEU 93 CO 0.01 -0.10 0.12 -0.69 0.23 0.00 0.00 176.35 175.92 1lm0 s VAL 94 N 1.63 4.89 0.10 -1.59 1.01 0.33 -1.73 120.40 125.05 1lm0 s VAL 94 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1lm0 s VAL 94 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1lm0 s VAL 94 CO 0.08 0.33 0.24 0.42 0.00 0.00 0.00 175.10 176.17 1lm0 s THR 95 N 1.40 5.32 -0.13 3.92 -4.23 0.52 -0.64 115.64 121.80 1lm0 s THR 95 Ca 0.06 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.97 1lm0 s THR 95 Cb -0.15 -3.66 0.06 0.00 1.34 0.00 0.00 72.50 70.09 1lm0 s THR 95 CO 0.06 0.03 0.27 -0.47 -0.54 0.00 0.00 174.62 173.97 1lm0 s TYR 96 N -1.62 -0.43 -0.58 3.99 5.04 0.31 -1.65 117.35 122.41 1lm0 s TYR 96 Ca 0.35 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 55.93 1lm0 s TYR 96 Cb -0.12 0.00 0.35 0.00 0.35 0.00 0.00 41.96 42.54 1lm0 s TYR 96 CO 0.28 -0.34 2.08 -0.40 -1.34 0.00 0.00 175.55 175.83 1lm0 n ASP 97 N 5.10 7.28 -3.00 4.32 5.75 -1.26 -0.96 116.55 133.78 1lm0 n ASP 97 Ca -0.11 -3.56 -0.07 0.00 -0.01 0.00 0.00 54.79 51.04 1lm0 n ASP 97 Cb 0.50 -1.03 0.03 0.00 -1.03 0.00 0.00 41.12 39.59 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1lm0 s ASP 98 N -1.06 0.02 0.88 -1.12 -1.08 -1.13 -4.72 116.67 108.46 1lm0 s ASP 98 Ca 0.54 -1.04 -0.12 0.00 -0.52 0.00 0.00 52.55 51.41 1lm0 s ASP 98 Cb 0.42 0.75 0.12 0.00 -1.46 0.00 0.00 42.92 42.76 1lm0 s ASP 98 CO -0.06 -1.50 1.09 -0.76 0.52 0.00 0.00 175.17 174.46 1lm0 s LEU 99 N -3.19 2.27 0.35 -1.34 1.02 -1.26 -4.49 118.68 112.03 1lm0 s LEU 99 Ca 0.18 1.40 0.02 0.00 0.02 0.00 0.00 54.13 55.76 1lm0 s LEU 99 Cb -0.04 -3.84 -0.02 0.00 0.02 0.00 0.00 46.19 42.30 1lm0 s LEU 99 CO 0.10 -2.54 0.53 -0.76 0.02 0.00 0.00 176.35 173.71 1lm0 s LEU 100 N -6.14 3.97 0.00 1.79 2.01 -1.26 -5.08 118.68 113.96 1lm0 s LEU 100 Ca 0.63 0.22 0.00 0.00 0.01 0.00 0.00 54.13 54.99 1lm0 s LEU 100 Cb -0.17 -3.08 0.00 0.00 0.01 0.00 0.00 46.19 42.94 1lm0 s LEU 100 CO 0.56 -0.39 0.31 -0.81 1.01 0.00 0.00 176.35 177.03 1lm0 n PRO 101 N -1.77 0.00 -1.54 1.29 -0.04 -1.26 -4.25 135.00 127.43 1lm0 n PRO 101 Ca -0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.13 1lm0 n PRO 101 Cb 0.57 -0.79 -0.02 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.39 6.78 0.00 3.54 9.92 -1.26 -4.76 116.55 130.38 1lm0 n ASP 102 Ca 0.00 -3.37 0.00 0.00 -0.53 0.00 0.00 54.79 50.89 1lm0 n ASP 102 Cb 0.00 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.31 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 0.41 0.44 -2.42 0.64 -0.00 -1.26 -2.75 117.00 112.05 1lm0 n LEU 103 Ca 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.47 1lm0 n LEU 103 Cb 0.48 -0.99 -0.03 0.00 -0.00 0.00 0.00 43.42 42.88 1lm0 n LEU 103 CO 0.40 -0.32 -0.52 0.33 -0.00 0.00 0.00 177.39 177.28 1lm0 n PHE 104 N -0.57 -3.61 -2.62 1.47 -0.00 -1.26 -4.88 117.46 105.99 1lm0 n PHE 104 Ca 0.00 1.97 -0.43 0.00 -0.00 0.00 0.00 57.45 58.99 1lm0 n PHE 104 Cb 0.10 -3.53 -0.02 0.00 -0.00 0.00 0.00 39.48 36.03 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 -0.90 4.30 0.87 -4.13 0.52 -1.11 -5.03 118.95 113.47 1lm0 s ARG 105 Ca -0.18 1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 56.35 1lm0 s ARG 105 Cb 0.01 -3.63 0.15 0.00 0.52 0.00 0.00 34.95 32.00 1lm0 s ARG 105 CO 0.66 -0.55 1.21 -1.21 0.02 0.00 0.00 175.30 175.43 1lm0 s GLU 106 N 2.88 1.24 -1.36 3.54 8.01 -1.26 -4.46 118.70 127.29 1lm0 s GLU 106 Ca 0.47 -0.37 -0.04 0.00 0.01 0.00 0.00 54.97 55.04 1lm0 s GLU 106 Cb -0.17 -1.97 0.00 0.00 -4.31 0.00 0.00 34.13 27.68 1lm0 s GLU 106 CO 0.11 -1.97 0.57 0.41 0.01 0.00 0.00 175.26 174.38 1lm0 n GLY 107 N -3.45 -0.37 3.66 -1.39 0.00 -1.21 -4.97 105.19 97.47 1lm0 n GLY 107 Ca 0.13 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.68 0.98 -4.23 1.61 10.64 -1.25 -5.02 117.38 116.43 1lm0 n GLN 108 Ca -0.09 -2.49 -0.34 0.00 -1.83 0.00 0.00 57.00 52.25 1lm0 n GLN 108 Cb 0.60 2.79 -0.11 0.00 -0.86 0.00 0.00 30.24 32.66 1lm0 n GLN 108 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1lm0 s GLY 109 N -3.14 1.82 0.13 2.61 0.00 -1.26 -1.73 107.32 105.75 1lm0 s GLY 109 Ca 0.21 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.21 1lm0 s GLY 109 CO 0.16 -0.07 -0.15 -0.26 0.00 0.00 0.00 173.10 172.78 1lm0 s ILE 110 N 0.23 1.43 -0.11 0.90 -5.25 -0.96 -3.69 121.20 113.75 1lm0 s ILE 110 Ca 0.01 -1.77 -0.03 0.00 -0.99 0.00 0.00 60.65 57.87 1lm0 s ILE 110 Cb -0.13 -1.61 -0.03 0.00 2.95 0.00 0.00 42.46 43.64 1lm0 s ILE 110 CO 0.02 -0.40 0.01 0.68 -1.79 0.00 0.00 174.94 173.45 1lm0 s VAL 111 N -2.15 4.38 -0.11 8.37 -7.23 -0.08 -2.95 120.40 120.63 1lm0 s VAL 111 Ca 0.11 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.08 1lm0 s VAL 111 Cb -0.05 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.04 1lm0 s VAL 111 CO 0.04 0.58 -0.14 0.00 -0.31 0.00 0.00 175.10 175.27 1lm0 s ALA 112 N -0.61 1.64 -0.11 1.32 0.00 0.71 -0.38 121.76 124.32 1lm0 s ALA 112 Ca 0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 1lm0 s ALA 112 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1lm0 s ALA 112 CO 0.02 -0.15 0.03 -1.14 0.00 0.00 0.00 175.76 174.52 1lm0 s GLN 113 N 1.13 3.28 0.00 0.00 -0.44 0.28 -0.71 119.66 123.19 1lm0 s GLN 113 Ca -0.04 -0.36 0.00 0.00 -2.50 0.00 0.00 55.36 52.46 1lm0 s GLN 113 Cb -0.14 -2.94 0.00 0.00 -1.64 0.00 0.00 33.01 28.29 1lm0 s GLN 113 CO -0.03 0.61 0.00 0.41 0.50 0.00 0.00 175.29 176.78 1lm0 n GLY 114 N 2.44 -0.69 3.32 2.59 0.00 -1.19 -2.08 105.19 109.58 1lm0 n GLY 114 Ca -0.18 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.00 1.78 0.35 1.61 0.11 -0.24 -2.17 120.40 117.84 1lm0 s VAL 115 Ca 0.00 -1.81 -0.27 0.00 -2.93 0.00 0.00 61.98 56.97 1lm0 s VAL 115 Cb 0.00 -1.76 -0.12 0.00 -1.53 0.00 0.00 36.38 32.97 1lm0 s VAL 115 CO 0.00 -0.24 1.14 0.18 -3.33 0.00 0.00 175.10 172.85 1lm0 n LEU 116 N 0.53 2.84 0.00 2.54 7.99 -0.03 -0.64 117.00 130.22 1lm0 n LEU 116 Ca -0.15 1.16 0.00 0.00 -0.01 0.00 0.00 56.01 57.01 1lm0 n LEU 116 Cb 0.56 -1.40 0.00 0.00 -0.11 0.00 0.00 43.42 42.47 1lm0 n LEU 116 CO 0.27 -0.99 0.00 0.61 -1.51 0.00 0.00 177.39 175.77 1lm0 n GLY 117 N 1.00 -0.65 0.51 -0.72 0.00 0.64 -4.30 105.19 101.67 1lm0 n GLY 117 Ca 0.07 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.18 -0.46 1.61 4.81 -1.95 -3.41 114.58 114.00 1lm0 h GLU 118 Ca 0.00 0.08 0.20 0.00 -0.13 0.00 0.00 59.36 59.52 1lm0 h GLU 118 Cb 0.00 0.27 -0.21 0.00 0.63 0.00 0.00 28.75 29.44 1lm0 h GLU 118 CO 0.00 -0.79 0.04 0.34 -0.73 0.00 0.00 179.01 177.87 1lm0 s ASP 119 N -4.04 -0.65 0.00 1.04 -1.08 -1.26 -4.90 116.67 105.78 1lm0 s ASP 119 Ca -0.19 0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.22 1lm0 s ASP 119 Cb 0.03 1.53 0.00 0.00 -1.46 0.00 0.00 42.92 43.02 1lm0 s ASP 119 CO 0.58 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.76 1lm0 n GLY 120 N 5.44 3.08 3.91 2.66 0.00 -1.26 -5.04 105.19 113.98 1lm0 n GLY 120 Ca -0.05 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 2.58 -0.08 1.61 3.01 -1.26 -4.58 119.74 121.02 1lm0 s LYS 121 Ca 0.00 0.11 0.04 0.00 -1.01 0.00 0.00 55.97 55.11 1lm0 s LYS 121 Cb 0.00 -2.12 -0.02 0.00 -1.01 0.00 0.00 37.83 34.69 1lm0 s LYS 121 CO 0.00 -1.08 -0.19 -0.51 0.51 0.00 0.00 175.35 174.08 1lm0 s LEU 122 N -5.26 2.42 -0.44 3.17 1.43 -0.71 -0.26 118.68 119.03 1lm0 s LEU 122 Ca 0.58 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1lm0 s LEU 122 Cb -0.11 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.71 1lm0 s LEU 122 CO 0.48 0.25 0.30 0.00 0.23 0.00 0.00 176.35 177.60 1lm0 s ALA 123 N -0.16 3.35 -0.17 4.21 0.00 0.19 -0.36 121.76 128.82 1lm0 s ALA 123 Ca -0.02 -2.24 -0.01 0.00 0.00 0.00 0.00 51.96 49.68 1lm0 s ALA 123 Cb -0.14 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.29 1lm0 s ALA 123 CO 0.04 -1.72 -0.01 0.00 0.00 0.00 0.00 175.76 174.06 1lm0 s ALA 124 N 1.44 1.26 -0.18 0.00 0.00 -0.66 -1.07 121.76 122.55 1lm0 s ALA 124 Ca 0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1lm0 s ALA 124 Cb -0.24 -1.12 -0.22 0.00 0.00 0.00 0.00 23.12 21.54 1lm0 s ALA 124 CO 0.02 -0.92 0.13 -2.37 0.00 0.00 0.00 175.76 172.62 1lm0 n THR 125 N 4.95 1.66 -2.61 0.00 5.66 -1.11 -4.52 114.28 118.30 1lm0 n THR 125 Ca -0.10 -0.55 -0.43 0.00 -3.05 0.00 0.00 64.05 59.91 1lm0 n THR 125 Cb 0.47 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 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 -3.56 3.28 -3.10 1.09 -0.58 -0.89 -4.91 120.64 111.97 1lm0 n GLU 126 Ca -0.38 -3.46 -0.40 0.00 -0.42 0.00 0.00 57.16 52.50 1lm0 n GLU 126 Cb 0.98 -3.23 -0.06 0.00 -0.57 0.00 0.00 31.44 28.57 1lm0 n GLU 126 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1lm0 s VAL 127 N 2.63 5.02 -0.08 2.62 -7.23 -1.26 -0.56 120.40 121.54 1lm0 s VAL 127 Ca 0.47 1.23 0.04 0.00 -1.81 0.00 0.00 61.98 61.91 1lm0 s VAL 127 Cb 0.03 -3.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 1lm0 s VAL 127 CO 0.02 0.12 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.95 1lm0 s LEU 128 N 1.82 2.02 -1.09 1.32 2.01 0.49 -4.84 118.68 120.41 1lm0 s LEU 128 Ca 0.30 -0.51 -0.06 0.00 0.01 0.00 0.00 54.13 53.87 1lm0 s LEU 128 Cb -0.16 -1.31 0.29 0.00 0.01 0.00 0.00 46.19 45.03 1lm0 s LEU 128 CO 0.11 0.16 1.30 0.00 1.01 0.00 0.00 176.35 178.93 1lm0 n ALA 129 N 3.42 4.72 0.61 4.21 0.00 -1.26 -0.90 120.51 131.31 1lm0 n ALA 129 Ca -0.19 -4.74 0.11 0.00 0.00 0.00 0.00 53.44 48.62 1lm0 n ALA 129 Cb 0.53 -2.38 0.45 0.00 0.00 0.00 0.00 19.45 18.05 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 1.96 0.11 0.07 0.00 2.85 -1.26 -2.44 118.16 119.45 1lm0 n LYS 130 Ca 0.25 0.23 -0.21 0.00 -1.05 0.00 0.00 58.31 57.53 1lm0 n LYS 130 Cb 0.36 -1.67 -0.14 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.00 0.74 0.00 5.58 3.86 -1.90 -3.52 115.15 119.92 1lm0 h HIS 131 Ca 0.00 -0.51 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1lm0 h HIS 131 Cb 0.44 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1lm0 h HIS 131 CO 0.00 1.38 0.00 -3.47 0.86 0.00 0.00 177.93 176.70