#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 6.48 0.19 -3.46 -0.87 -1.26 -4.92 114.94 111.11 1lm0 s ASN 33 Ca 0.00 0.72 -0.16 0.00 -1.57 0.00 0.00 52.86 51.85 1lm0 s ASN 33 Cb 0.00 -2.54 0.18 0.00 -0.02 0.00 0.00 41.25 38.86 1lm0 s ASN 33 CO 0.00 -1.33 1.62 -0.07 -2.57 0.00 0.00 177.10 174.75 1lm0 h LEU 34 N 11.70 -0.68 -7.44 0.60 4.07 -2.07 -3.44 115.31 118.04 1lm0 h LEU 34 Ca -0.26 0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1lm0 h LEU 34 Cb 1.09 0.40 -0.11 0.00 1.08 0.00 0.00 40.66 43.12 1lm0 h LEU 34 CO 1.10 -0.22 0.05 0.54 -1.08 0.00 0.00 178.44 178.82 1lm0 s ASN 35 N -5.20 -0.33 -0.13 -0.43 6.03 -1.26 -4.99 114.94 108.64 1lm0 s ASN 35 Ca -0.14 -0.32 -0.21 0.00 -1.03 0.00 0.00 52.86 51.15 1lm0 s ASN 35 Cb 0.17 0.56 0.05 0.00 -3.03 0.00 0.00 41.25 39.00 1lm0 s ASN 35 CO 0.72 -0.98 0.53 -1.48 -2.03 0.00 0.00 177.10 173.86 1lm0 s LEU 36 N -2.83 -0.04 -0.35 3.54 0.05 -1.26 -5.03 118.68 112.77 1lm0 s LEU 36 Ca 0.06 0.79 -0.11 0.00 0.05 0.00 0.00 54.13 54.92 1lm0 s LEU 36 Cb -0.00 1.92 0.01 0.00 -2.05 0.00 0.00 46.19 46.06 1lm0 s LEU 36 CO -0.08 -0.35 0.20 -0.36 -0.55 0.00 0.00 176.35 175.21 1lm0 s PHE 37 N -0.42 3.21 0.18 3.48 0.40 -1.26 -0.58 117.98 122.99 1lm0 s PHE 37 Ca -0.06 -0.67 0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1lm0 s PHE 37 Cb -0.03 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1lm0 s PHE 37 CO 0.04 -0.52 -0.24 0.71 0.70 0.00 0.00 175.22 175.91 1lm0 s TYR 38 N 1.61 2.32 0.11 0.36 1.51 0.12 -4.95 117.35 118.44 1lm0 s TYR 38 Ca 0.04 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 1lm0 s TYR 38 Cb -0.18 -1.17 -0.07 0.00 -0.11 0.00 0.00 41.96 40.43 1lm0 s TYR 38 CO 0.07 0.47 0.72 0.95 -1.11 0.00 0.00 175.55 176.65 1lm0 s THR 39 N -1.56 4.54 0.28 -0.71 -4.23 -1.26 -0.53 115.64 112.18 1lm0 s THR 39 Ca 0.20 1.55 0.01 0.00 -1.18 0.00 0.00 61.69 62.28 1lm0 s THR 39 Cb -0.08 -4.07 0.28 0.00 1.34 0.00 0.00 72.50 69.97 1lm0 s THR 39 CO 0.09 0.50 1.82 1.55 -0.54 0.00 0.00 174.62 178.05 1lm0 h PRO 40 N 4.67 0.91 -0.14 3.99 0.13 -1.86 -2.13 132.00 137.57 1lm0 h PRO 40 Ca -0.47 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1lm0 h PRO 40 Cb 1.21 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1lm0 h PRO 40 CO 0.66 0.61 0.04 1.03 -0.23 0.00 0.00 178.00 180.11 1lm0 h SER 41 N 0.94 0.05 -0.96 1.44 0.87 -1.90 -1.50 113.55 112.48 1lm0 h SER 41 Ca 0.50 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 61.18 1lm0 h SER 41 Cb 0.54 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.43 1lm0 h SER 41 CO -0.28 0.05 0.60 -0.08 -0.53 0.00 0.00 176.83 176.58 1lm0 h GLU 42 N 0.11 0.96 0.00 2.24 4.81 -1.80 -0.24 114.58 120.66 1lm0 h GLU 42 Ca 0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1lm0 h GLU 42 Cb 0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1lm0 h GLU 42 CO -0.07 0.63 0.00 0.44 -0.73 0.00 0.00 179.01 179.29 1lm0 n ILE 43 N -4.62 0.34 0.25 2.32 -5.35 -0.93 -3.36 119.36 108.00 1lm0 n ILE 43 Ca 0.17 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.77 1lm0 n ILE 43 Cb 0.30 -0.64 0.20 0.00 -1.74 0.00 0.00 39.64 37.77 1lm0 n ILE 43 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1lm0 h VAL 44 N 0.00 0.00 0.00 7.28 3.04 -0.00 -1.00 116.25 125.56 1lm0 h VAL 44 Ca 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1lm0 h VAL 44 Cb 0.50 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1lm0 h VAL 44 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1lm0 n ASN 45 N -3.05 0.00 -3.42 3.17 3.02 -1.21 -4.50 115.26 109.27 1lm0 n ASN 45 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 1lm0 n ASN 45 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 1lm0 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm0 n GLY 46 N 5.00 4.53 0.00 7.41 0.00 -1.26 -3.21 105.19 117.66 1lm0 n GLY 46 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 3.39 0.00 0.00 1.61 4.76 -1.26 -4.24 118.16 122.42 1lm0 n LYS 47 Ca 0.71 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 56.09 1lm0 n LYS 47 Cb 0.26 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.40 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 0.50 -0.18 -0.18 2.02 -1.39 0.16 112.91 113.84 1lm0 h THR 48 Ca 0.00 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.00 1lm0 h THR 48 Cb 0.00 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1lm0 h THR 48 CO 0.00 0.16 -0.02 -0.78 0.37 0.00 0.00 175.52 175.25 1lm0 h ASP 49 N -1.00 -0.12 0.12 4.18 3.58 -1.54 -0.33 116.42 121.32 1lm0 h ASP 49 Ca -0.01 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.35 1lm0 h ASP 49 Cb 0.35 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1lm0 h ASP 49 CO 0.02 -0.03 -0.47 0.74 -2.88 0.00 0.00 179.24 176.62 1lm0 h THR 50 N 0.03 1.32 -2.83 2.25 2.02 -1.70 -3.39 112.91 110.61 1lm0 h THR 50 Ca 0.09 -1.67 -0.10 0.00 0.77 0.00 0.00 66.41 65.49 1lm0 h THR 50 Cb 0.12 1.71 0.05 0.00 -1.74 0.00 0.00 68.15 68.28 1lm0 h THR 50 CO -0.16 0.51 -0.21 0.61 0.37 0.00 0.00 175.52 176.63 1lm0 n GLY 51 N 0.04 0.32 0.74 2.16 0.00 0.52 -4.96 105.19 104.01 1lm0 n GLY 51 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.36 0.57 -0.03 1.61 0.24 -0.90 -4.89 118.33 112.58 1lm0 n VAL 52 Ca -0.05 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.34 62.16 1lm0 n VAL 52 Cb 0.54 -1.64 -0.02 0.00 -1.47 0.00 0.00 33.84 31.25 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 -0.30 -0.06 -7.48 7.34 1.57 -1.74 -3.46 116.57 112.44 1lm0 h LYS 53 Ca -0.19 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.11 1lm0 h LYS 53 Cb 1.08 0.01 0.08 0.00 0.08 0.00 0.00 32.23 33.48 1lm0 h LYS 53 CO -0.11 0.09 0.40 -1.25 -0.57 0.00 0.00 179.45 178.01 1lm0 s PRO 54 N -1.85 2.69 0.21 3.15 0.04 -1.26 -5.09 135.00 132.87 1lm0 s PRO 54 Ca -0.03 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.47 1lm0 s PRO 54 Cb -0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1lm0 s PRO 54 CO 0.12 -1.16 0.37 -1.21 0.04 0.00 0.00 177.00 175.17 1lm0 s GLU 55 N -5.35 3.48 -0.02 4.56 0.41 -1.26 -4.86 118.70 115.66 1lm0 s GLU 55 Ca 0.59 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1lm0 s GLU 55 Cb -0.11 -2.86 0.03 0.00 -1.78 0.00 0.00 34.13 29.41 1lm0 s GLU 55 CO 0.52 0.41 0.78 0.00 -0.49 0.00 0.00 175.26 176.48 1lm0 n ALA 56 N -0.84 2.60 -2.42 5.21 0.00 -1.26 -2.60 120.51 121.19 1lm0 n ALA 56 Ca -0.06 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1lm0 n ALA 56 Cb 0.54 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1lm0 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm0 n GLY 57 N 0.21 0.93 3.87 0.00 0.00 -1.25 -2.73 105.19 106.22 1lm0 n GLY 57 Ca 0.02 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.06 3.16 -0.20 1.61 -0.21 -1.07 -4.84 119.66 118.05 1lm0 s GLN 58 Ca 0.28 -0.77 -0.07 0.00 0.02 0.00 0.00 55.36 54.82 1lm0 s GLN 58 Cb 0.32 -2.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 1lm0 s GLN 58 CO -0.14 0.49 0.05 0.50 -2.12 0.00 0.00 175.29 174.06 1lm0 s ARG 59 N -3.30 3.81 0.30 2.91 3.00 -1.26 -0.87 118.95 123.54 1lm0 s ARG 59 Ca 0.33 -0.42 0.00 0.00 -1.00 0.00 0.00 55.73 54.64 1lm0 s ARG 59 Cb -0.10 -3.19 -0.02 0.00 0.00 0.00 0.00 34.95 31.64 1lm0 s ARG 59 CO 0.26 0.12 0.33 0.96 0.00 0.00 0.00 175.30 176.97 1lm0 s ILE 60 N 0.77 0.00 -0.11 4.11 -0.00 -1.16 -4.80 121.20 120.02 1lm0 s ILE 60 Ca 0.02 -1.81 -0.00 0.00 -0.00 0.00 0.00 60.65 58.86 1lm0 s ILE 60 Cb -0.14 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.46 39.77 1lm0 s ILE 60 CO 0.02 0.00 -0.08 -0.13 -0.00 0.00 0.00 174.94 174.75 1lm0 s ARG 61 N -3.50 3.16 -0.27 0.37 0.52 0.25 -3.18 118.95 116.31 1lm0 s ARG 61 Ca 0.35 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.88 1lm0 s ARG 61 Cb 0.02 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1lm0 s ARG 61 CO 0.20 0.42 0.13 0.54 0.02 0.00 0.00 175.30 176.62 1lm0 s VAL 62 N -0.16 4.83 -0.08 3.52 0.11 0.52 -0.70 120.40 128.44 1lm0 s VAL 62 Ca 0.01 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1lm0 s VAL 62 Cb -0.13 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.45 1lm0 s VAL 62 CO 0.03 0.29 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.19 1lm0 s GLY 63 N 1.69 0.67 0.00 6.54 0.00 0.31 -0.42 107.32 116.11 1lm0 s GLY 63 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1lm0 s GLY 63 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.36 1lm0 n GLY 64 N 4.43 2.28 3.08 0.20 0.00 -1.17 -4.06 105.19 109.94 1lm0 n GLY 64 Ca -0.18 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 4.37 1.66 0.02 1.61 0.23 -0.86 -3.59 119.30 122.74 1lm0 s MET 65 Ca 0.00 -0.51 -0.10 0.00 -1.03 0.00 0.00 55.69 54.05 1lm0 s MET 65 Cb 0.00 -1.42 -0.05 0.00 -1.53 0.00 0.00 34.83 31.83 1lm0 s MET 65 CO 0.00 0.16 0.33 0.08 -2.03 0.00 0.00 175.02 173.56 1lm0 s VAL 66 N 0.25 5.19 1.18 5.16 1.01 0.04 -0.76 120.40 132.46 1lm0 s VAL 66 Ca -0.07 0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1lm0 s VAL 66 Cb -0.12 -3.61 0.27 0.00 0.00 0.00 0.00 36.38 32.92 1lm0 s VAL 66 CO 0.03 0.42 1.09 0.28 0.00 0.00 0.00 175.10 176.91 1lm0 s THR 67 N -1.25 1.67 -0.91 3.92 -1.32 -1.26 -2.77 115.64 113.72 1lm0 s THR 67 Ca 0.27 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.75 1lm0 s THR 67 Cb -0.14 -2.43 0.31 0.00 -1.51 0.00 0.00 72.50 68.72 1lm0 s THR 67 CO 0.15 0.00 1.39 0.55 -2.21 0.00 0.00 174.62 174.50 1lm0 n VAL 68 N -4.73 4.75 0.00 5.08 3.14 -1.26 -0.38 118.33 124.93 1lm0 n VAL 68 Ca 0.11 -5.78 0.00 0.00 -2.96 0.00 0.00 64.34 55.70 1lm0 n VAL 68 Cb 0.59 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 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 0.57 0.07 0.00 7.55 0.00 -1.26 -4.92 105.19 107.20 1lm0 n GLY 69 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.32 -4.64 1.61 7.64 -1.26 -5.06 113.62 112.22 1lm0 n SER 70 Ca 0.00 -1.14 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 1lm0 n SER 70 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.14 4.10 0.15 1.43 1.75 -1.26 -3.88 119.30 121.45 1lm0 s MET 71 Ca 0.00 1.23 0.11 0.00 -1.25 0.00 0.00 55.69 55.77 1lm0 s MET 71 Cb 0.00 -3.74 -0.04 0.00 2.84 0.00 0.00 34.83 33.89 1lm0 s MET 71 CO 0.00 -0.85 -0.25 0.14 -0.65 0.00 0.00 175.02 173.41 1lm0 s VAL 72 N 3.64 2.19 -0.01 10.11 -7.23 0.03 -5.00 120.40 124.14 1lm0 s VAL 72 Ca 0.48 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1lm0 s VAL 72 Cb -0.14 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 1lm0 s VAL 72 CO 0.14 -0.02 0.04 0.00 -0.31 0.00 0.00 175.10 174.95 1lm0 s ARG 73 N -2.29 0.18 0.18 4.82 1.70 -1.26 -0.75 118.95 121.53 1lm0 s ARG 73 Ca 0.15 -0.18 0.01 0.00 -0.47 0.00 0.00 55.73 55.25 1lm0 s ARG 73 Cb -0.09 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1lm0 s ARG 73 CO 0.07 -0.03 0.35 -0.51 -1.08 0.00 0.00 175.30 174.09 1lm0 s ASP 74 N -0.56 6.36 0.00 -2.89 1.11 0.24 -4.98 116.67 115.94 1lm0 s ASP 74 Ca -0.06 0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.95 1lm0 s ASP 74 Cb -0.04 -1.96 0.00 0.00 1.07 0.00 0.00 42.92 41.99 1lm0 s ASP 74 CO -0.00 -0.01 1.04 -0.81 1.18 0.00 0.00 175.17 176.57 1lm0 n PRO 75 N -0.68 0.86 0.02 8.23 -0.04 -1.26 -1.69 135.00 140.44 1lm0 n PRO 75 Ca -0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1lm0 n PRO 75 Cb 0.54 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.78 0.59 0.00 3.54 3.02 -1.26 -4.99 115.26 116.95 1lm0 n ASN 76 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1lm0 n ASN 76 Cb 0.43 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.58 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 -1.94 -3.05 0.00 6.41 7.64 -0.68 -4.72 113.62 117.29 1lm0 n SER 77 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1lm0 n SER 77 Cb 0.44 -1.73 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 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 0.93 -4.67 -3.43 -0.00 -1.26 -4.59 117.00 103.98 1lm0 n LEU 78 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1lm0 n LEU 78 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.53 1lm0 n LEU 78 CO 0.00 0.16 0.42 -1.00 -0.00 0.00 0.00 177.39 176.96 1lm0 s HIS 79 N -1.73 3.42 0.02 1.47 3.76 -1.26 -2.32 115.29 118.65 1lm0 s HIS 79 Ca 0.00 1.04 -0.13 0.00 -0.15 0.00 0.00 55.06 55.82 1lm0 s HIS 79 Cb 0.00 -2.83 0.02 0.00 1.11 0.00 0.00 32.58 30.88 1lm0 s HIS 79 CO 0.00 -0.13 0.28 0.14 -0.85 0.00 0.00 174.74 174.18 1lm0 s VAL 80 N 1.74 0.08 0.16 -0.90 -7.23 0.06 -0.59 120.40 113.72 1lm0 s VAL 80 Ca 0.32 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.66 1lm0 s VAL 80 Cb -0.16 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.02 1lm0 s VAL 80 CO 0.12 -0.36 0.50 0.00 -0.31 0.00 0.00 175.10 175.05 1lm0 s GLN 81 N -2.08 1.25 0.14 4.82 -2.07 0.07 -0.54 119.66 121.24 1lm0 s GLN 81 Ca -0.08 -0.72 -0.18 0.00 -1.82 0.00 0.00 55.36 52.56 1lm0 s GLN 81 Cb -0.03 0.52 0.04 0.00 -1.09 0.00 0.00 33.01 32.46 1lm0 s GLN 81 CO -0.01 -0.52 0.46 -0.59 -1.32 0.00 0.00 175.29 173.31 1lm0 s PHE 82 N -3.82 -0.27 -0.11 9.60 -0.12 -0.34 -0.79 117.98 122.13 1lm0 s PHE 82 Ca 0.05 -0.03 -0.02 0.00 -0.05 0.00 0.00 56.93 56.88 1lm0 s PHE 82 Cb -0.00 0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1lm0 s PHE 82 CO -0.08 -0.76 -0.02 0.00 -0.05 0.00 0.00 175.22 174.31 1lm0 s ALA 83 N -3.80 3.16 -0.01 1.99 0.00 -1.25 -0.68 121.76 121.17 1lm0 s ALA 83 Ca 0.03 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1lm0 s ALA 83 Cb 0.01 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1lm0 s ALA 83 CO -0.11 0.44 -0.17 0.08 0.00 0.00 0.00 175.76 175.99 1lm0 s VAL 84 N -0.38 2.82 0.47 0.00 1.01 0.16 -4.28 120.40 120.21 1lm0 s VAL 84 Ca 0.07 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1lm0 s VAL 84 Cb -0.12 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1lm0 s VAL 84 CO 0.02 0.49 0.09 -1.38 0.00 0.00 0.00 175.10 174.31 1lm0 s HIS 85 N -0.80 1.76 0.34 5.22 -3.43 0.06 -0.60 115.29 117.85 1lm0 s HIS 85 Ca 0.13 -1.21 0.03 0.00 -0.80 0.00 0.00 55.06 53.21 1lm0 s HIS 85 Cb -0.10 -1.33 -0.05 0.00 -1.43 0.00 0.00 32.58 29.66 1lm0 s HIS 85 CO 0.02 -0.13 0.08 0.34 -2.00 0.00 0.00 174.74 173.05 1lm0 s ASP 86 N -3.75 2.40 0.20 7.38 -1.08 -1.16 -2.02 116.67 118.64 1lm0 s ASP 86 Ca 0.12 -1.45 -0.13 0.00 -0.52 0.00 0.00 52.55 50.57 1lm0 s ASP 86 Cb 0.01 0.08 0.23 0.00 -1.46 0.00 0.00 42.92 41.78 1lm0 s ASP 86 CO 0.09 -0.69 1.65 0.77 0.52 0.00 0.00 175.17 177.50 1lm0 h SER 87 N 2.05 -0.41 0.00 -0.34 4.64 -1.94 -2.37 113.55 115.18 1lm0 h SER 87 Ca -0.39 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1lm0 h SER 87 Cb 1.25 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1lm0 h SER 87 CO 0.66 -0.15 0.00 0.18 -0.87 0.00 0.00 176.83 176.65 1lm0 n LEU 88 N -5.34 2.23 -3.64 5.97 4.77 -1.26 -4.77 117.00 114.95 1lm0 n LEU 88 Ca 0.07 -1.11 -0.27 0.00 -0.03 0.00 0.00 56.01 54.66 1lm0 n LEU 88 Cb 0.32 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1lm0 n LEU 88 CO 0.09 0.39 0.01 0.61 -1.33 0.00 0.00 177.39 177.16 1lm0 n GLY 89 N 0.46 -0.48 3.66 -0.72 0.00 -0.89 -4.96 105.19 102.25 1lm0 n GLY 89 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.97 1.65 -0.36 -0.02 0.00 -1.25 -4.77 107.32 99.60 1lm0 s GLY 90 Ca 0.53 0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.60 1lm0 s GLY 90 CO 0.65 0.78 0.67 -0.54 0.00 0.00 0.00 173.10 174.67 1lm0 s GLU 91 N -4.69 0.64 -0.04 2.90 2.02 -1.25 -2.98 118.70 115.30 1lm0 s GLU 91 Ca 0.66 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.73 1lm0 s GLU 91 Cb -0.22 0.14 -0.00 0.00 0.10 0.00 0.00 34.13 34.15 1lm0 s GLU 91 CO 0.59 -1.01 -0.15 -1.50 0.02 0.00 0.00 175.26 173.20 1lm0 s ILE 92 N 2.24 1.31 0.08 -1.63 -1.16 0.23 -4.94 121.20 117.34 1lm0 s ILE 92 Ca 0.15 -0.64 -0.24 0.00 -0.51 0.00 0.00 60.65 59.40 1lm0 s ILE 92 Cb -0.05 -1.14 -0.06 0.00 0.61 0.00 0.00 42.46 41.82 1lm0 s ILE 92 CO -0.15 0.38 0.73 -0.76 -2.81 0.00 0.00 174.94 172.34 1lm0 s LEU 93 N 0.14 4.50 -0.06 8.50 1.43 -1.26 -0.66 118.68 131.27 1lm0 s LEU 93 Ca -0.05 1.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.56 1lm0 s LEU 93 Cb -0.12 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.91 1lm0 s LEU 93 CO 0.02 0.12 -0.19 -0.69 0.23 0.00 0.00 176.35 175.84 1lm0 s VAL 94 N -0.54 1.63 0.24 -1.59 1.01 0.14 -3.73 120.40 117.56 1lm0 s VAL 94 Ca 0.36 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1lm0 s VAL 94 Cb -0.21 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1lm0 s VAL 94 CO 0.23 0.46 0.01 0.42 0.00 0.00 0.00 175.10 176.23 1lm0 s THR 95 N 0.18 3.61 -0.12 3.92 -4.23 0.11 -1.20 115.64 117.91 1lm0 s THR 95 Ca -0.09 -1.72 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1lm0 s THR 95 Cb -0.14 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.85 1lm0 s THR 95 CO 0.04 -0.29 0.31 -0.31 -0.54 0.00 0.00 174.62 173.83 1lm0 s TYR 96 N -2.12 -0.40 -1.79 3.99 1.51 0.30 -1.19 117.35 117.65 1lm0 s TYR 96 Ca 0.30 0.93 0.18 0.00 -1.01 0.00 0.00 57.07 57.47 1lm0 s TYR 96 Cb -0.07 0.13 0.37 0.00 -0.11 0.00 0.00 41.96 42.27 1lm0 s TYR 96 CO 0.20 -0.24 1.29 -0.40 -1.11 0.00 0.00 175.55 175.29 1lm0 n ASP 97 N 3.84 3.14 -4.71 2.29 5.75 -1.26 -0.76 116.55 124.85 1lm0 n ASP 97 Ca -0.21 -1.91 -0.23 0.00 -0.01 0.00 0.00 54.79 52.43 1lm0 n ASP 97 Cb 0.55 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 1lm0 n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1lm0 s ASP 98 N -1.19 4.68 0.41 -1.12 1.01 -0.98 -4.36 116.67 115.12 1lm0 s ASP 98 Ca 0.32 -0.70 -0.27 0.00 0.71 0.00 0.00 52.55 52.61 1lm0 s ASP 98 Cb 0.18 -0.81 -0.10 0.00 1.01 0.00 0.00 42.92 43.20 1lm0 s ASP 98 CO 0.25 -0.17 1.45 -0.76 0.21 0.00 0.00 175.17 176.14 1lm0 s LEU 99 N -3.78 4.22 0.59 1.23 1.02 -1.24 -4.59 118.68 116.13 1lm0 s LEU 99 Ca 0.35 2.97 -0.11 0.00 0.02 0.00 0.00 54.13 57.36 1lm0 s LEU 99 Cb -0.04 -3.80 -0.04 0.00 0.02 0.00 0.00 46.19 42.32 1lm0 s LEU 99 CO 0.22 -1.01 0.99 -0.76 0.02 0.00 0.00 176.35 175.81 1lm0 s LEU 100 N -2.39 3.33 0.00 1.79 1.43 -1.26 -5.07 118.68 116.51 1lm0 s LEU 100 Ca 0.57 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1lm0 s LEU 100 Cb -0.45 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.38 1lm0 s LEU 100 CO 0.59 -0.79 0.00 -0.81 0.23 0.00 0.00 176.35 175.57 1lm0 n PRO 101 N -2.53 0.00 -0.66 1.29 -0.04 -1.26 -4.22 135.00 127.58 1lm0 n PRO 101 Ca 0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1lm0 n PRO 101 Cb 0.54 -0.26 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 1lm0 n PRO 101 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lm0 n ASP 102 N 0.00 5.17 0.00 3.54 8.00 -1.26 -4.58 116.55 127.42 1lm0 n ASP 102 Ca 0.00 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.10 1lm0 n ASP 102 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 1lm0 n ASP 102 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1lm0 n LEU 103 N 1.87 0.90 -2.72 0.64 7.94 -1.26 -3.48 117.00 120.88 1lm0 n LEU 103 Ca 0.15 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.03 1lm0 n LEU 103 Cb 0.63 -1.65 -0.02 0.00 0.53 0.00 0.00 43.42 42.91 1lm0 n LEU 103 CO 0.04 -0.59 -0.55 0.33 -1.11 0.00 0.00 177.39 175.51 1lm0 n PHE 104 N -1.72 -3.79 -2.62 1.96 7.35 -1.26 -4.92 117.46 112.45 1lm0 n PHE 104 Ca 0.00 1.92 -0.43 0.00 -0.76 0.00 0.00 57.45 58.19 1lm0 n PHE 104 Cb 0.15 -3.68 -0.02 0.00 0.35 0.00 0.00 39.48 36.28 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1lm0 s ARG 105 N -1.16 4.32 0.79 -4.13 1.81 -1.23 -5.01 118.95 114.34 1lm0 s ARG 105 Ca -0.11 1.44 -0.09 0.00 -1.72 0.00 0.00 55.73 55.25 1lm0 s ARG 105 Cb 0.01 -3.61 0.11 0.00 -0.45 0.00 0.00 34.95 31.00 1lm0 s ARG 105 CO 0.71 -0.51 1.11 -1.21 -0.68 0.00 0.00 175.30 174.72 1lm0 s GLU 106 N 2.71 1.70 -1.12 3.54 8.01 -1.26 -4.49 118.70 127.79 1lm0 s GLU 106 Ca 0.48 -0.36 -0.03 0.00 0.01 0.00 0.00 54.97 55.07 1lm0 s GLU 106 Cb -0.18 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.57 1lm0 s GLU 106 CO 0.13 -1.62 0.40 0.41 0.01 0.00 0.00 175.26 174.59 1lm0 n GLY 107 N -3.18 -0.18 3.72 -1.39 0.00 0.49 -4.85 105.19 99.80 1lm0 n GLY 107 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.30 1.97 -0.48 1.61 -2.07 -1.16 -4.93 119.66 109.30 1lm0 s GLN 108 Ca 0.20 -1.37 -0.17 0.00 -1.82 0.00 0.00 55.36 52.19 1lm0 s GLN 108 Cb -0.09 0.56 0.06 0.00 -1.09 0.00 0.00 33.01 32.46 1lm0 s GLN 108 CO 0.24 -0.88 0.48 0.20 -1.32 0.00 0.00 175.29 174.01 1lm0 s GLY 109 N -3.06 1.94 0.22 2.60 0.00 -1.26 -0.78 107.32 106.98 1lm0 s GLY 109 Ca 0.19 -1.92 0.08 0.00 0.00 0.00 0.00 44.72 43.07 1lm0 s GLY 109 CO 0.12 1.21 0.01 -0.26 0.00 0.00 0.00 173.10 174.18 1lm0 s ILE 110 N 2.04 3.64 -0.22 0.90 -5.25 -1.24 -4.39 121.20 116.68 1lm0 s ILE 110 Ca 0.09 -1.65 0.00 0.00 -0.99 0.00 0.00 60.65 58.10 1lm0 s ILE 110 Cb -0.22 -2.89 0.03 0.00 2.95 0.00 0.00 42.46 42.33 1lm0 s ILE 110 CO 0.09 -0.25 -0.13 0.68 -1.79 0.00 0.00 174.94 173.55 1lm0 s VAL 111 N -2.02 2.40 0.01 8.37 -7.23 -0.34 -3.07 120.40 118.52 1lm0 s VAL 111 Ca 0.29 -1.12 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1lm0 s VAL 111 Cb -0.08 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1lm0 s VAL 111 CO 0.20 0.29 0.12 0.00 -0.31 0.00 0.00 175.10 175.39 1lm0 s ALA 112 N 1.26 3.72 -0.09 1.32 0.00 0.44 -0.70 121.76 127.71 1lm0 s ALA 112 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1lm0 s ALA 112 Cb -0.16 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1lm0 s ALA 112 CO -0.08 0.72 0.24 -1.14 0.00 0.00 0.00 175.76 175.50 1lm0 s GLN 113 N -1.93 0.27 0.00 0.00 -0.44 0.13 -0.36 119.66 117.33 1lm0 s GLN 113 Ca 0.26 0.33 0.00 0.00 -2.50 0.00 0.00 55.36 53.45 1lm0 s GLN 113 Cb -0.12 0.12 0.00 0.00 -1.64 0.00 0.00 33.01 31.37 1lm0 s GLN 113 CO 0.17 -0.04 0.00 0.41 0.50 0.00 0.00 175.29 176.34 1lm0 n GLY 114 N 3.00 -0.65 3.04 2.59 0.00 -1.19 -0.98 105.19 111.00 1lm0 n GLY 114 Ca -0.13 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.53 0.10 0.60 1.61 0.11 -0.09 -3.00 120.40 118.21 1lm0 s VAL 115 Ca 0.00 -0.80 -0.14 0.00 -2.93 0.00 0.00 61.98 58.11 1lm0 s VAL 115 Cb 0.00 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1lm0 s VAL 115 CO 0.00 -0.44 1.03 -0.76 -3.33 0.00 0.00 175.10 171.60 1lm0 s LEU 116 N -1.41 3.38 0.00 2.54 1.43 -0.05 -0.82 118.68 123.74 1lm0 s LEU 116 Ca -0.15 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1lm0 s LEU 116 Cb -0.09 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1lm0 s LEU 116 CO 0.00 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.18 1lm0 n GLY 117 N -1.81 0.00 2.71 -3.19 0.00 -1.10 -3.97 105.19 97.82 1lm0 n GLY 117 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lm0 n GLU 118 N 0.00 1.31 -3.00 1.61 1.02 -1.13 -5.00 120.64 115.45 1lm0 n GLU 118 Ca 0.00 -2.44 -0.01 0.00 -0.02 0.00 0.00 57.16 54.69 1lm0 n GLU 118 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1lm0 n ASP 119 N -0.62 -0.14 0.00 1.62 9.92 -1.26 -0.56 116.55 125.51 1lm0 n ASP 119 Ca -0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1lm0 n ASP 119 Cb 0.84 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 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 -0.70 1.15 3.58 0.44 0.00 -1.25 -4.97 105.19 103.44 1lm0 n GLY 120 Ca -0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 2.02 -0.08 1.61 3.01 0.27 -4.25 119.74 122.32 1lm0 s LYS 121 Ca 0.00 -1.63 0.04 0.00 -1.01 0.00 0.00 55.97 53.38 1lm0 s LYS 121 Cb 0.00 -1.96 -0.00 0.00 -1.01 0.00 0.00 37.83 34.86 1lm0 s LYS 121 CO 0.00 0.30 -0.22 -0.51 0.51 0.00 0.00 175.35 175.42 1lm0 s LEU 122 N -3.62 2.02 -0.62 3.17 1.43 -1.24 -2.84 118.68 116.97 1lm0 s LEU 122 Ca 0.32 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 1lm0 s LEU 122 Cb -0.04 -1.31 0.11 0.00 0.03 0.00 0.00 46.19 44.98 1lm0 s LEU 122 CO 0.18 0.17 0.75 0.00 0.23 0.00 0.00 176.35 177.67 1lm0 s ALA 123 N 0.24 3.42 0.22 4.21 0.00 -0.00 -0.71 121.76 129.13 1lm0 s ALA 123 Ca -0.14 -2.28 -0.00 0.00 0.00 0.00 0.00 51.96 49.54 1lm0 s ALA 123 Cb -0.16 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1lm0 s ALA 123 CO 0.07 -2.41 0.40 0.00 0.00 0.00 0.00 175.76 173.82 1lm0 s ALA 124 N 2.67 3.82 0.00 0.00 0.00 -0.33 -0.91 121.76 127.02 1lm0 s ALA 124 Ca 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1lm0 s ALA 124 Cb -0.22 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1lm0 s ALA 124 CO 0.05 0.38 0.00 -2.37 0.00 0.00 0.00 175.76 173.82 1lm0 n THR 125 N -0.83 0.00 -2.88 0.00 5.66 -0.15 -4.43 114.28 111.66 1lm0 n THR 125 Ca -0.05 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.52 1lm0 n THR 125 Cb 0.54 -0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.46 3.30 -0.23 1.09 2.56 -0.31 -4.92 118.70 118.74 1lm0 s GLU 126 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.97 54.57 1lm0 s GLU 126 Cb 0.00 -4.06 -0.00 0.00 2.00 0.00 0.00 34.13 32.07 1lm0 s GLU 126 CO 0.00 -1.46 -0.03 0.14 -0.56 0.00 0.00 175.26 173.35 1lm0 s VAL 127 N 3.78 3.39 -0.33 3.70 -7.23 -1.26 0.18 120.40 122.61 1lm0 s VAL 127 Ca 0.28 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1lm0 s VAL 127 Cb -0.13 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.24 1lm0 s VAL 127 CO 0.18 0.34 0.12 -0.76 -0.31 0.00 0.00 175.10 174.67 1lm0 s LEU 128 N 1.46 4.27 -0.63 1.32 2.01 0.12 -4.83 118.68 122.40 1lm0 s LEU 128 Ca 0.05 -1.00 -0.06 0.00 0.01 0.00 0.00 54.13 53.12 1lm0 s LEU 128 Cb -0.15 -1.90 -0.11 0.00 0.01 0.00 0.00 46.19 44.04 1lm0 s LEU 128 CO -0.03 -0.30 3.14 0.00 1.01 0.00 0.00 176.35 180.17 1lm0 n ALA 129 N 4.86 6.73 -1.71 4.21 0.00 -1.26 -1.20 120.51 132.13 1lm0 n ALA 129 Ca -0.13 -2.75 -0.42 0.00 0.00 0.00 0.00 53.44 50.14 1lm0 n ALA 129 Cb 0.46 -2.58 -0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 2.30 2.86 -3.74 0.00 2.85 -1.26 -4.86 118.16 116.31 1lm0 n LYS 130 Ca 0.55 -2.58 -0.15 0.00 -1.05 0.00 0.00 58.31 55.08 1lm0 n LYS 130 Cb 0.60 -3.27 -0.15 0.00 -0.65 0.00 0.00 35.03 31.56 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1lm0 s HIS 131 N 3.19 -0.10 -1.01 5.58 2.46 -1.26 -4.98 115.29 119.18 1lm0 s HIS 131 Ca 0.48 0.40 0.08 0.00 0.47 0.00 0.00 55.06 56.49 1lm0 s HIS 131 Cb 0.14 -0.17 0.06 0.00 -0.13 0.00 0.00 32.58 32.48 1lm0 s HIS 131 CO -0.09 -0.16 0.76 -0.25 -2.47 0.00 0.00 174.74 172.53