#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 4.56 0.00 -3.46 4.22 -1.26 -5.09 114.94 113.91 1lm0 s ASN 33 Ca 0.00 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.26 1lm0 s ASN 33 Cb 0.00 -0.90 0.00 0.00 1.28 0.00 0.00 41.25 41.63 1lm0 s ASN 33 CO 0.00 0.10 0.00 -0.11 -2.04 0.00 0.00 177.10 175.05 1lm0 n LEU 34 N -0.01 0.00 -4.01 3.54 0.00 -1.26 -5.04 117.00 110.21 1lm0 n LEU 34 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.48 1lm0 n LEU 34 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.97 1lm0 n LEU 34 CO 0.37 0.00 2.30 0.59 0.00 0.00 0.00 177.39 180.65 1lm0 n ASN 35 N -0.87 4.43 -4.45 1.96 3.02 -1.26 -4.71 115.26 113.38 1lm0 n ASN 35 Ca 0.00 -2.91 -0.22 0.00 -0.03 0.00 0.00 54.58 51.42 1lm0 n ASN 35 Cb 0.00 -1.65 -0.10 0.00 -0.61 0.00 0.00 39.78 37.42 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 2.25 2.44 0.05 3.41 2.34 -1.26 -4.84 118.68 123.07 1lm0 s LEU 36 Ca 0.47 -1.26 -0.26 0.00 0.06 0.00 0.00 54.13 53.14 1lm0 s LEU 36 Cb 0.10 -0.59 -0.05 0.00 -0.56 0.00 0.00 46.19 45.08 1lm0 s LEU 36 CO -0.03 -0.42 0.82 -0.36 -1.06 0.00 0.00 176.35 175.30 1lm0 s PHE 37 N -3.06 3.74 0.03 3.48 0.08 -1.26 -0.41 117.98 120.58 1lm0 s PHE 37 Ca 0.32 1.55 0.01 0.00 0.12 0.00 0.00 56.93 58.94 1lm0 s PHE 37 Cb 0.06 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1lm0 s PHE 37 CO 0.13 0.24 -0.06 0.71 -0.10 0.00 0.00 175.22 176.14 1lm0 s TYR 38 N 0.05 0.49 0.24 0.36 2.02 0.97 -4.92 117.35 116.57 1lm0 s TYR 38 Ca 0.41 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 1lm0 s TYR 38 Cb -0.21 -0.31 -0.09 0.00 -0.40 0.00 0.00 41.96 40.95 1lm0 s TYR 38 CO 0.25 -0.09 1.20 0.99 -1.57 0.00 0.00 175.55 176.33 1lm0 s THR 39 N -1.07 3.33 0.11 -0.71 2.01 -1.26 -0.59 115.64 117.46 1lm0 s THR 39 Ca -0.08 1.22 -0.21 0.00 0.31 0.00 0.00 61.69 62.93 1lm0 s THR 39 Cb -0.08 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1lm0 s THR 39 CO -0.00 0.24 1.75 1.55 -0.69 0.00 0.00 174.62 177.47 1lm0 h PRO 40 N 4.45 0.11 -0.75 4.92 0.13 -1.88 -2.77 132.00 136.21 1lm0 h PRO 40 Ca -0.46 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 1lm0 h PRO 40 Cb 1.22 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1lm0 h PRO 40 CO 0.71 0.07 0.50 0.77 -0.23 0.00 0.00 178.00 179.82 1lm0 h SER 41 N 0.11 0.36 -0.26 1.44 0.02 -1.84 0.16 113.55 113.54 1lm0 h SER 41 Ca 0.06 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1lm0 h SER 41 Cb 0.03 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 1lm0 h SER 41 CO -0.06 0.18 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.59 1lm0 h GLU 42 N 0.38 -0.12 -1.03 3.45 4.57 -1.81 -2.87 114.58 117.16 1lm0 h GLU 42 Ca 0.37 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.49 1lm0 h GLU 42 Cb 0.89 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 1lm0 h GLU 42 CO -0.11 -0.08 0.08 0.44 -1.18 0.00 0.00 179.01 178.16 1lm0 n ILE 43 N -5.31 1.30 -0.10 2.32 -5.35 0.57 -2.48 119.36 110.30 1lm0 n ILE 43 Ca -0.01 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 1lm0 n ILE 43 Cb 0.23 -0.95 -0.10 0.00 -1.74 0.00 0.00 39.64 37.07 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 0.33 1.20 -0.02 7.28 3.14 -1.08 -4.44 118.33 124.74 1lm0 n VAL 44 Ca 0.07 -0.47 -0.13 0.00 -2.96 0.00 0.00 64.34 60.86 1lm0 n VAL 44 Cb 0.64 -1.22 -0.10 0.00 -1.06 0.00 0.00 33.84 32.09 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1lm0 h ASN 45 N 0.00 -0.02 0.00 6.55 2.35 -1.64 -3.44 115.58 119.38 1lm0 h ASN 45 Ca -0.47 -0.61 -0.10 0.00 -0.55 0.00 0.00 56.30 54.58 1lm0 h ASN 45 Cb 1.73 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 39.98 1lm0 h ASN 45 CO -0.07 0.61 -0.09 0.61 -1.65 0.00 0.00 177.43 176.84 1lm0 n GLY 46 N 0.65 -1.41 0.00 2.83 0.00 -1.26 -4.87 105.19 101.12 1lm0 n GLY 46 Ca -0.09 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1lm0 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lm0 n LYS 47 N 1.32 0.00 0.36 1.61 4.76 -1.26 -4.40 118.16 120.55 1lm0 n LYS 47 Ca 0.01 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.30 1lm0 n LYS 47 Cb 0.71 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.82 1lm0 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lm0 h THR 48 N 0.00 0.08 -0.98 -0.18 1.03 -1.85 -1.17 112.91 109.84 1lm0 h THR 48 Ca 0.00 -0.28 0.07 0.00 -0.01 0.00 0.00 66.41 66.19 1lm0 h THR 48 Cb 0.00 0.10 -0.07 0.00 -1.07 0.00 0.00 68.15 67.12 1lm0 h THR 48 CO 0.00 0.01 0.63 -0.78 -0.01 0.00 0.00 175.52 175.37 1lm0 h ASP 49 N -1.21 1.00 0.15 0.00 3.58 -1.84 0.19 116.42 118.30 1lm0 h ASP 49 Ca -0.10 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1lm0 h ASP 49 Cb 0.75 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1lm0 h ASP 49 CO 0.16 0.64 -0.57 0.41 -2.88 0.00 0.00 179.24 177.00 1lm0 n THR 50 N -4.50 0.00 -3.83 2.25 -1.04 -1.26 -4.83 114.28 101.07 1lm0 n THR 50 Ca 0.15 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.05 61.79 1lm0 n THR 50 Cb 0.19 0.78 0.02 0.00 -1.82 0.00 0.00 70.33 69.51 1lm0 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm0 n GLY 51 N 1.44 -0.39 0.12 3.41 0.00 0.68 -4.92 105.19 105.53 1lm0 n GLY 51 Ca 0.08 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.49 1.47 0.00 1.61 0.24 -0.98 -4.88 118.33 111.29 1lm0 n VAL 52 Ca -0.12 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1lm0 n VAL 52 Cb 0.60 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 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 -3.04 0.00 -1.62 7.34 4.76 -1.26 -5.03 118.16 119.31 1lm0 n LYS 53 Ca -0.38 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.76 1lm0 n LYS 53 Cb 1.07 -0.21 0.17 0.00 -1.84 0.00 0.00 35.03 34.22 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 -0.84 0.54 -0.03 1.97 0.04 -1.26 -5.09 135.00 130.33 1lm0 s PRO 54 Ca 0.00 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 60.88 1lm0 s PRO 54 Cb 0.00 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.75 1lm0 s PRO 54 CO 0.00 -2.54 0.23 -1.21 0.04 0.00 0.00 177.00 173.53 1lm0 s GLU 55 N -5.56 0.52 0.46 4.56 2.02 -1.26 -4.71 118.70 114.73 1lm0 s GLU 55 Ca 0.69 -0.15 -0.24 0.00 0.02 0.00 0.00 54.97 55.29 1lm0 s GLU 55 Cb -0.09 0.23 -0.09 0.00 0.10 0.00 0.00 34.13 34.28 1lm0 s GLU 55 CO 0.53 -0.12 1.21 0.00 0.02 0.00 0.00 175.26 176.90 1lm0 n ALA 56 N 1.71 1.06 0.00 5.21 0.00 -1.26 -3.32 120.51 123.91 1lm0 n ALA 56 Ca -0.20 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1lm0 n ALA 56 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 0.91 2.80 3.85 0.00 0.00 -1.26 -5.03 105.19 106.46 1lm0 n GLY 57 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.47 3.95 -0.10 1.61 -0.21 -1.21 -4.83 119.66 118.39 1lm0 s GLN 58 Ca 0.00 0.65 -0.10 0.00 0.02 0.00 0.00 55.36 55.93 1lm0 s GLN 58 Cb 0.00 -2.39 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 1lm0 s GLN 58 CO 0.00 0.07 0.23 1.03 -2.12 0.00 0.00 175.29 174.50 1lm0 s ARG 59 N -3.29 3.77 0.20 2.91 0.52 -1.26 -1.64 118.95 120.15 1lm0 s ARG 59 Ca 0.54 0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.73 1lm0 s ARG 59 Cb -0.10 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 1lm0 s ARG 59 CO 0.22 0.62 0.24 0.96 0.02 0.00 0.00 175.30 177.36 1lm0 s ILE 60 N -0.66 0.02 -0.17 1.52 -4.36 -1.10 -4.42 121.20 112.04 1lm0 s ILE 60 Ca 0.17 -1.73 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1lm0 s ILE 60 Cb -0.13 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 1lm0 s ILE 60 CO 0.06 -0.11 -0.13 -0.13 0.24 0.00 0.00 174.94 174.87 1lm0 s ARG 61 N -4.08 3.24 -0.09 0.37 0.52 0.45 -2.97 118.95 116.40 1lm0 s ARG 61 Ca 0.29 -0.72 -0.23 0.00 -0.52 0.00 0.00 55.73 54.55 1lm0 s ARG 61 Cb 0.04 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1lm0 s ARG 61 CO 0.08 -0.05 0.67 0.54 0.02 0.00 0.00 175.30 176.55 1lm0 s VAL 62 N 1.01 5.06 -0.14 3.52 0.11 0.95 -0.02 120.40 130.90 1lm0 s VAL 62 Ca -0.01 1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 60.39 1lm0 s VAL 62 Cb -0.15 -4.00 0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1lm0 s VAL 62 CO -0.02 0.25 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.14 1lm0 s GLY 63 N 0.81 0.76 0.00 6.54 0.00 0.25 -0.30 107.32 115.38 1lm0 s GLY 63 Ca 0.35 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1lm0 s GLY 63 CO 0.16 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.95 1lm0 n GLY 64 N 4.99 0.59 3.88 0.20 0.00 -0.95 -4.04 105.19 109.86 1lm0 n GLY 64 Ca -0.10 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.76 3.30 -0.25 1.61 0.23 0.44 -1.39 119.30 121.48 1lm0 s MET 65 Ca 0.00 -0.46 -0.07 0.00 -1.03 0.00 0.00 55.69 54.13 1lm0 s MET 65 Cb 0.00 -2.98 -0.03 0.00 -1.53 0.00 0.00 34.83 30.29 1lm0 s MET 65 CO 0.00 0.62 0.07 0.08 -2.03 0.00 0.00 175.02 173.76 1lm0 s VAL 66 N -1.42 4.28 -0.28 5.16 1.01 -0.07 -0.41 120.40 128.67 1lm0 s VAL 66 Ca 0.31 -0.21 -0.42 0.00 0.00 0.00 0.00 61.98 61.66 1lm0 s VAL 66 Cb -0.13 -3.01 -0.18 0.00 0.00 0.00 0.00 36.38 33.06 1lm0 s VAL 66 CO 0.23 0.32 1.56 0.41 0.00 0.00 0.00 175.10 177.63 1lm0 n THR 67 N 4.92 0.12 -0.15 3.92 -1.04 -1.26 -3.26 114.28 117.53 1lm0 n THR 67 Ca -0.16 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 61.73 1lm0 n THR 67 Cb 0.51 -0.76 -0.05 0.00 -1.82 0.00 0.00 70.33 68.22 1lm0 n THR 67 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1lm0 h VAL 68 N 4.64 0.09 -0.74 12.58 3.04 -1.94 -2.89 116.25 131.04 1lm0 h VAL 68 Ca -0.46 0.00 -0.73 0.00 -1.01 0.00 0.00 66.70 64.49 1lm0 h VAL 68 Cb 1.35 0.09 -0.10 0.00 -2.01 0.00 0.00 31.29 30.63 1lm0 h VAL 68 CO 0.91 0.00 2.60 0.61 -1.01 0.00 0.00 177.57 180.68 1lm0 n GLY 69 N -1.41 4.63 0.00 3.17 0.00 -1.26 -4.16 105.19 106.17 1lm0 n GLY 69 Ca -0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 4.59 0.00 -4.64 1.61 7.64 -1.09 -5.05 113.62 116.69 1lm0 n SER 70 Ca 0.48 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.94 1lm0 n SER 70 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.00 3.73 -0.05 1.43 1.75 -1.26 -4.12 119.30 119.79 1lm0 s MET 71 Ca 0.00 2.32 0.06 0.00 -1.25 0.00 0.00 55.69 56.82 1lm0 s MET 71 Cb 0.00 -4.23 -0.01 0.00 2.84 0.00 0.00 34.83 33.43 1lm0 s MET 71 CO 0.00 -1.42 -0.24 0.14 -0.65 0.00 0.00 175.02 172.85 1lm0 s VAL 72 N 5.98 1.94 -0.03 10.11 -7.23 -0.03 -5.01 120.40 126.14 1lm0 s VAL 72 Ca 0.92 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1lm0 s VAL 72 Cb -0.38 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 1lm0 s VAL 72 CO 0.38 0.54 -0.13 0.00 -0.31 0.00 0.00 175.10 175.59 1lm0 s ARG 73 N -0.20 1.28 0.46 4.82 1.70 -1.26 -0.83 118.95 124.91 1lm0 s ARG 73 Ca -0.01 -0.45 -0.14 0.00 -0.47 0.00 0.00 55.73 54.66 1lm0 s ARG 73 Cb -0.13 -1.16 -0.07 0.00 -0.57 0.00 0.00 34.95 33.02 1lm0 s ARG 73 CO 0.03 0.20 0.88 -0.51 -1.08 0.00 0.00 175.30 174.81 1lm0 s ASP 74 N 0.03 6.57 0.00 -2.89 1.01 0.06 -4.94 116.67 116.51 1lm0 s ASP 74 Ca -0.02 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.60 1lm0 s ASP 74 Cb -0.09 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1lm0 s ASP 74 CO 0.01 -0.50 0.54 -0.81 0.21 0.00 0.00 175.17 174.62 1lm0 n PRO 75 N -1.44 0.55 0.22 8.23 -0.04 -1.26 -0.72 135.00 140.53 1lm0 n PRO 75 Ca 0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1lm0 n PRO 75 Cb 0.54 -1.01 0.36 0.00 -0.04 0.00 0.00 33.50 33.34 1lm0 n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1lm0 h ASN 76 N 0.02 0.00 -1.48 3.54 2.35 -1.92 -3.48 115.58 114.62 1lm0 h ASN 76 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1lm0 h ASN 76 Cb 0.01 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 1lm0 h ASN 76 CO 0.00 0.19 -0.37 -1.20 -1.65 0.00 0.00 177.43 174.40 1lm0 n SER 77 N -3.24 -5.05 0.00 5.81 7.64 0.10 -4.80 113.62 114.08 1lm0 n SER 77 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1lm0 n SER 77 Cb 0.49 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.60 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 -2.15 1.52 -4.66 -3.43 -0.00 -1.26 -4.58 117.00 102.44 1lm0 n LEU 78 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.41 1lm0 n LEU 78 Cb 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.98 1lm0 n LEU 78 CO 0.25 0.21 0.65 -1.00 -0.00 0.00 0.00 177.39 177.51 1lm0 s HIS 79 N -1.84 3.38 -0.23 1.47 3.76 -1.26 -1.56 115.29 119.01 1lm0 s HIS 79 Ca 0.00 1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 56.12 1lm0 s HIS 79 Cb 0.00 -3.05 0.11 0.00 1.11 0.00 0.00 32.58 30.75 1lm0 s HIS 79 CO 0.00 -0.31 0.27 0.14 -0.85 0.00 0.00 174.74 173.99 1lm0 s VAL 80 N 2.46 -0.40 0.20 -0.90 -7.23 0.14 -0.76 120.40 113.91 1lm0 s VAL 80 Ca 0.38 -0.20 0.11 0.00 -1.81 0.00 0.00 61.98 60.47 1lm0 s VAL 80 Cb -0.16 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1lm0 s VAL 80 CO 0.10 -0.25 -0.23 0.00 -0.31 0.00 0.00 175.10 174.41 1lm0 s GLN 81 N 2.38 1.55 -0.07 4.82 -2.07 -0.01 -2.21 119.66 124.05 1lm0 s GLN 81 Ca 0.09 -1.55 -0.22 0.00 -1.82 0.00 0.00 55.36 51.85 1lm0 s GLN 81 Cb -0.15 -1.84 0.05 0.00 -1.09 0.00 0.00 33.01 29.97 1lm0 s GLN 81 CO -0.18 0.39 0.51 -0.59 -1.32 0.00 0.00 175.29 174.10 1lm0 s PHE 82 N -1.78 -0.46 0.13 9.60 -0.12 -0.04 -0.85 117.98 124.47 1lm0 s PHE 82 Ca 0.22 0.85 -0.23 0.00 -0.05 0.00 0.00 56.93 57.72 1lm0 s PHE 82 Cb -0.08 0.25 -0.07 0.00 -0.63 0.00 0.00 43.02 42.49 1lm0 s PHE 82 CO 0.11 -0.46 0.70 0.00 -0.05 0.00 0.00 175.22 175.52 1lm0 s ALA 83 N -0.95 3.50 0.05 1.99 0.00 -1.26 -0.54 121.76 124.55 1lm0 s ALA 83 Ca -0.10 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1lm0 s ALA 83 Cb -0.03 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1lm0 s ALA 83 CO 0.06 0.33 -0.13 0.54 0.00 0.00 0.00 175.76 176.56 1lm0 s VAL 84 N -1.12 1.02 0.25 0.00 0.11 0.14 -4.04 120.40 116.77 1lm0 s VAL 84 Ca 0.33 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1lm0 s VAL 84 Cb -0.22 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 1lm0 s VAL 84 CO 0.23 -0.09 0.31 -1.38 -3.33 0.00 0.00 175.10 170.84 1lm0 s HIS 85 N -0.98 0.94 0.27 1.54 -3.43 0.46 -0.69 115.29 113.40 1lm0 s HIS 85 Ca -0.01 -1.18 -0.06 0.00 -0.80 0.00 0.00 55.06 53.01 1lm0 s HIS 85 Cb -0.08 -0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 30.79 1lm0 s HIS 85 CO 0.01 -0.85 0.38 0.34 -2.00 0.00 0.00 174.74 172.62 1lm0 s ASP 86 N -3.15 0.35 0.00 7.38 2.15 -1.24 -0.42 116.67 121.75 1lm0 s ASP 86 Ca 0.33 -1.25 0.00 0.00 0.43 0.00 0.00 52.55 52.05 1lm0 s ASP 86 Cb 0.03 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 1lm0 s ASP 86 CO 0.14 -1.11 0.17 -0.24 -0.17 0.00 0.00 175.17 173.95 1lm0 n SER 87 N -0.72 0.42 -1.14 -0.34 2.88 -1.26 -2.60 113.62 110.86 1lm0 n SER 87 Ca 0.00 -0.49 0.08 0.00 -1.33 0.00 0.00 58.87 57.14 1lm0 n SER 87 Cb 0.63 -0.12 0.28 0.00 -0.75 0.00 0.00 64.21 64.25 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 0.56 4.13 -3.07 2.46 7.99 -1.26 -5.01 117.00 122.81 1lm0 n LEU 88 Ca 0.00 -2.63 -0.14 0.00 -0.01 0.00 0.00 56.01 53.24 1lm0 n LEU 88 Cb 0.08 -0.50 0.07 0.00 -0.11 0.00 0.00 43.42 42.96 1lm0 n LEU 88 CO 0.00 0.72 0.05 0.61 -1.51 0.00 0.00 177.39 177.26 1lm0 n GLY 89 N 0.30 -0.67 3.85 -0.72 0.00 -1.07 -4.82 105.19 102.06 1lm0 n GLY 89 Ca 0.21 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.66 -0.22 0.30 -0.02 0.00 -1.26 -5.02 107.32 97.44 1lm0 s GLY 90 Ca 0.25 0.26 -0.17 0.00 0.00 0.00 0.00 44.72 45.07 1lm0 s GLY 90 CO 0.64 3.54 0.66 -1.83 0.00 0.00 0.00 173.10 176.12 1lm0 s GLU 91 N -2.16 1.83 0.13 2.90 -1.05 -1.26 -3.66 118.70 115.42 1lm0 s GLU 91 Ca 0.24 -1.19 -0.17 0.00 -0.15 0.00 0.00 54.97 53.70 1lm0 s GLU 91 Cb 0.01 0.57 0.04 0.00 -0.44 0.00 0.00 34.13 34.31 1lm0 s GLU 91 CO -0.02 -0.82 0.42 -1.50 0.95 0.00 0.00 175.26 174.29 1lm0 s ILE 92 N -3.57 0.06 -0.22 1.83 1.10 0.14 -4.35 121.20 116.20 1lm0 s ILE 92 Ca 0.16 -0.51 -0.11 0.00 -0.51 0.00 0.00 60.65 59.67 1lm0 s ILE 92 Cb -0.04 -1.14 -0.05 0.00 0.15 0.00 0.00 42.46 41.38 1lm0 s ILE 92 CO 0.09 -0.28 0.19 -0.76 -2.11 0.00 0.00 174.94 172.07 1lm0 s LEU 93 N -2.78 4.16 -0.15 8.50 1.43 -1.26 -0.68 118.68 127.90 1lm0 s LEU 93 Ca 0.03 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1lm0 s LEU 93 Cb 0.02 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1lm0 s LEU 93 CO -0.12 0.09 -0.03 -0.69 0.23 0.00 0.00 176.35 175.83 1lm0 s VAL 94 N 0.82 3.96 -0.11 -1.59 1.01 0.29 -1.81 120.40 122.97 1lm0 s VAL 94 Ca 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1lm0 s VAL 94 Cb -0.13 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1lm0 s VAL 94 CO 0.03 0.50 -0.09 0.42 0.00 0.00 0.00 175.10 175.96 1lm0 s THR 95 N 0.25 3.45 -0.01 3.92 -4.23 0.24 -0.86 115.64 118.40 1lm0 s THR 95 Ca -0.02 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1lm0 s THR 95 Cb -0.14 -2.44 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 1lm0 s THR 95 CO 0.03 0.55 -0.06 -0.47 -0.54 0.00 0.00 174.62 174.12 1lm0 s TYR 96 N -0.11 0.57 -0.11 3.99 6.14 -0.94 -3.21 117.35 123.67 1lm0 s TYR 96 Ca 0.00 -0.11 0.18 0.00 0.64 0.00 0.00 57.07 57.79 1lm0 s TYR 96 Cb -0.13 -0.38 0.43 0.00 0.42 0.00 0.00 41.96 42.29 1lm0 s TYR 96 CO 0.03 -0.02 1.19 -0.40 0.64 0.00 0.00 175.55 176.99 1lm0 n ASP 97 N 2.99 1.47 -2.73 4.32 5.75 -1.26 -0.68 116.55 126.41 1lm0 n ASP 97 Ca -0.14 -2.93 -0.08 0.00 -0.01 0.00 0.00 54.79 51.63 1lm0 n ASP 97 Cb 0.57 -0.41 0.10 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.31 -2.03 -0.80 -1.12 -0.08 -0.78 -4.62 116.55 106.81 1lm0 n ASP 98 Ca 0.13 -3.19 0.01 0.00 -1.51 0.00 0.00 54.79 50.23 1lm0 n ASP 98 Cb 0.92 1.47 -0.00 0.00 2.34 0.00 0.00 41.12 45.85 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 -0.02 0.00 -3.66 -2.67 4.32 -0.60 -4.99 117.00 109.37 1lm0 n LEU 99 Ca 0.03 0.05 -0.13 0.00 -0.02 0.00 0.00 56.01 55.94 1lm0 n LEU 99 Cb 0.76 -0.14 -0.06 0.00 -1.62 0.00 0.00 43.42 42.35 1lm0 n LEU 99 CO 0.00 -1.23 0.16 -0.76 -1.22 0.00 0.00 177.39 174.34 1lm0 s LEU 100 N 0.00 0.39 0.04 2.23 1.43 -1.26 -4.92 118.68 116.59 1lm0 s LEU 100 Ca 0.00 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 1lm0 s LEU 100 Cb 0.00 1.76 -0.08 0.00 0.03 0.00 0.00 46.19 47.89 1lm0 s LEU 100 CO 0.00 -0.67 1.79 -2.16 0.23 0.00 0.00 176.35 175.54 1lm0 s PRO 101 N -2.53 4.16 -1.61 1.29 0.04 -1.26 -2.14 135.00 132.95 1lm0 s PRO 101 Ca -0.05 2.45 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 1lm0 s PRO 101 Cb -0.01 -3.86 0.11 0.00 0.04 0.00 0.00 34.50 30.78 1lm0 s PRO 101 CO -0.03 -0.85 0.74 -0.25 0.04 0.00 0.00 177.00 176.65 1lm0 n ASP 102 N 6.57 -2.88 0.00 6.66 8.00 -1.26 0.27 116.55 133.90 1lm0 n ASP 102 Ca 0.18 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1lm0 n ASP 102 Cb 0.41 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 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 -4.44 0.00 -2.78 0.64 -0.00 -0.91 -3.78 117.00 105.72 1lm0 n LEU 103 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.94 1lm0 n LEU 103 Cb 0.54 -0.08 0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1lm0 n LEU 103 CO 0.82 0.00 -0.16 0.33 -0.00 0.00 0.00 177.39 178.38 1lm0 n PHE 104 N -1.66 -3.66 -2.50 1.96 7.35 0.14 -4.71 117.46 114.38 1lm0 n PHE 104 Ca 0.00 1.53 -0.41 0.00 -0.76 0.00 0.00 57.45 57.82 1lm0 n PHE 104 Cb 0.00 -4.04 -0.04 0.00 0.35 0.00 0.00 39.48 35.75 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 -2.22 4.61 0.69 -4.13 0.52 -1.25 -4.99 118.95 112.18 1lm0 s ARG 105 Ca 0.15 1.75 -0.11 0.00 -0.52 0.00 0.00 55.73 57.00 1lm0 s ARG 105 Cb -0.04 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1lm0 s ARG 105 CO 0.77 0.13 1.07 -1.21 0.02 0.00 0.00 175.30 176.08 1lm0 s GLU 106 N -0.76 3.02 -0.37 3.54 8.01 -1.26 -4.26 118.70 126.62 1lm0 s GLU 106 Ca 0.48 0.61 -0.01 0.00 0.01 0.00 0.00 54.97 56.06 1lm0 s GLU 106 Cb -0.30 -2.03 0.00 0.00 -4.31 0.00 0.00 34.13 27.49 1lm0 s GLU 106 CO 0.37 -0.96 0.31 0.41 0.01 0.00 0.00 175.26 175.41 1lm0 n GLY 107 N -2.74 0.38 3.45 -1.39 0.00 -1.20 -4.95 105.19 98.74 1lm0 n GLY 107 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.91 1.93 0.05 1.61 -2.07 -1.26 -5.01 119.66 110.00 1lm0 s GLN 108 Ca 0.09 -1.85 0.07 0.00 -1.82 0.00 0.00 55.36 51.84 1lm0 s GLN 108 Cb -0.04 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1lm0 s GLN 108 CO 0.21 -0.79 -0.19 0.20 -1.32 0.00 0.00 175.29 173.40 1lm0 s GLY 109 N -3.28 1.04 0.18 2.60 0.00 -1.26 -0.89 107.32 105.71 1lm0 s GLY 109 Ca 0.33 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 1lm0 s GLY 109 CO 0.23 -0.96 0.15 -0.26 0.00 0.00 0.00 173.10 172.26 1lm0 s ILE 110 N -0.85 0.03 -0.16 0.90 -0.00 -0.49 -4.30 121.20 116.33 1lm0 s ILE 110 Ca 0.06 -1.90 -0.05 0.00 -0.00 0.00 0.00 60.65 58.76 1lm0 s ILE 110 Cb -0.09 -2.32 -0.03 0.00 -0.00 0.00 0.00 42.46 40.02 1lm0 s ILE 110 CO 0.02 -0.14 -0.01 0.68 -0.00 0.00 0.00 174.94 175.49 1lm0 s VAL 111 N -4.11 4.15 -0.07 8.37 -7.23 -1.12 -2.24 120.40 118.15 1lm0 s VAL 111 Ca 0.33 -0.26 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 1lm0 s VAL 111 Cb 0.06 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1lm0 s VAL 111 CO 0.08 0.48 -0.23 0.00 -0.31 0.00 0.00 175.10 175.12 1lm0 s ALA 112 N 0.38 2.23 0.01 1.32 0.00 0.59 -0.60 121.76 125.69 1lm0 s ALA 112 Ca -0.02 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1lm0 s ALA 112 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1lm0 s ALA 112 CO 0.02 0.38 -0.20 -1.14 0.00 0.00 0.00 175.76 174.82 1lm0 s GLN 113 N -0.02 1.47 0.00 0.00 -0.44 0.60 -0.03 119.66 121.24 1lm0 s GLN 113 Ca -0.07 -0.81 0.00 0.00 -2.50 0.00 0.00 55.36 51.98 1lm0 s GLN 113 Cb -0.15 -1.50 0.00 0.00 -1.64 0.00 0.00 33.01 29.72 1lm0 s GLN 113 CO 0.05 0.40 0.00 0.41 0.50 0.00 0.00 175.29 176.65 1lm0 n GLY 114 N 2.24 -0.69 3.27 2.59 0.00 -1.16 -0.59 105.19 110.85 1lm0 n GLY 114 Ca -0.16 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.96 1.49 0.20 1.61 0.11 -0.08 -2.70 120.40 119.07 1lm0 s VAL 115 Ca 0.00 -1.82 -0.33 0.00 -2.93 0.00 0.00 61.98 56.90 1lm0 s VAL 115 Cb 0.00 -1.67 -0.14 0.00 -1.53 0.00 0.00 36.38 33.04 1lm0 s VAL 115 CO 0.00 -0.41 1.46 0.18 -3.33 0.00 0.00 175.10 172.99 1lm0 n LEU 116 N 0.37 2.97 0.00 2.54 7.99 -0.65 -0.41 117.00 129.80 1lm0 n LEU 116 Ca -0.14 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 1lm0 n LEU 116 Cb 0.57 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.48 1lm0 n LEU 116 CO 0.28 -0.47 0.00 0.61 -1.51 0.00 0.00 177.39 176.30 1lm0 n GLY 117 N 2.63 0.55 0.49 -0.72 0.00 0.78 -4.26 105.19 104.67 1lm0 n GLY 117 Ca 0.14 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.09 -0.25 1.61 4.81 -1.95 -3.44 114.58 114.27 1lm0 h GLU 118 Ca 0.00 0.07 0.26 0.00 -0.13 0.00 0.00 59.36 59.56 1lm0 h GLU 118 Cb 0.00 0.25 -0.24 0.00 0.63 0.00 0.00 28.75 29.39 1lm0 h GLU 118 CO 0.00 -0.73 0.36 0.34 -0.73 0.00 0.00 179.01 178.26 1lm0 s ASP 119 N -4.05 -0.20 0.00 1.04 -1.08 -1.26 -4.96 116.67 106.16 1lm0 s ASP 119 Ca -0.18 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 1lm0 s ASP 119 Cb 0.03 1.20 0.00 0.00 -1.46 0.00 0.00 42.92 42.69 1lm0 s ASP 119 CO 0.57 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.83 1lm0 n GLY 120 N 5.03 1.92 3.77 2.66 0.00 -1.26 -4.95 105.19 112.36 1lm0 n GLY 120 Ca -0.08 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 4.69 -0.23 1.61 3.01 -1.26 -4.70 119.74 122.85 1lm0 s LYS 121 Ca 0.00 1.36 -0.08 0.00 -1.01 0.00 0.00 55.97 56.24 1lm0 s LYS 121 Cb 0.00 -3.05 -0.04 0.00 -1.01 0.00 0.00 37.83 33.73 1lm0 s LYS 121 CO 0.00 0.42 0.10 -0.51 0.51 0.00 0.00 175.35 175.86 1lm0 s LEU 122 N -1.59 3.72 -1.04 3.17 2.01 -0.75 -0.15 118.68 124.04 1lm0 s LEU 122 Ca 0.45 -0.06 -0.12 0.00 0.01 0.00 0.00 54.13 54.41 1lm0 s LEU 122 Cb -0.22 -1.99 0.23 0.00 0.01 0.00 0.00 46.19 44.22 1lm0 s LEU 122 CO 0.27 0.03 1.09 0.00 1.01 0.00 0.00 176.35 178.76 1lm0 s ALA 123 N 1.22 4.28 0.03 4.21 0.00 0.45 -0.59 121.76 131.36 1lm0 s ALA 123 Ca 0.05 -3.50 -0.12 0.00 0.00 0.00 0.00 51.96 48.39 1lm0 s ALA 123 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 23.12 19.20 1lm0 s ALA 123 CO 0.04 -2.42 0.38 0.00 0.00 0.00 0.00 175.76 173.76 1lm0 s ALA 124 N 0.09 3.73 0.00 0.00 0.00 -1.20 -0.90 121.76 123.49 1lm0 s ALA 124 Ca 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1lm0 s ALA 124 Cb -0.08 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1lm0 s ALA 124 CO -0.07 0.54 0.05 -2.37 0.00 0.00 0.00 175.76 173.91 1lm0 n THR 125 N 1.40 0.00 -3.56 0.00 5.66 0.24 -4.40 114.28 113.62 1lm0 n THR 125 Ca -0.12 -0.09 -0.41 0.00 -3.05 0.00 0.00 64.05 60.39 1lm0 n THR 125 Cb 0.53 1.47 -0.08 0.00 -1.55 0.00 0.00 70.33 70.69 1lm0 n THR 125 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1lm0 s GLU 126 N -0.08 2.51 -0.12 1.09 8.01 -0.60 -4.97 118.70 124.54 1lm0 s GLU 126 Ca 0.00 -1.86 -0.13 0.00 0.01 0.00 0.00 54.97 53.00 1lm0 s GLU 126 Cb 0.00 -3.92 -0.05 0.00 -4.31 0.00 0.00 34.13 25.85 1lm0 s GLU 126 CO 0.00 -1.19 0.28 0.14 0.01 0.00 0.00 175.26 174.50 1lm0 s VAL 127 N 1.19 5.29 -0.34 2.63 -7.23 -1.26 -0.29 120.40 120.40 1lm0 s VAL 127 Ca 0.07 0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 60.75 1lm0 s VAL 127 Cb -0.25 -3.60 0.07 0.00 0.56 0.00 0.00 36.38 33.16 1lm0 s VAL 127 CO -0.02 0.47 0.08 -0.76 -0.31 0.00 0.00 175.10 174.56 1lm0 s LEU 128 N -0.11 4.38 -0.38 1.32 2.01 0.23 -4.87 118.68 121.26 1lm0 s LEU 128 Ca 0.17 -1.50 -0.02 0.00 0.01 0.00 0.00 54.13 52.79 1lm0 s LEU 128 Cb -0.13 -1.76 0.20 0.00 0.01 0.00 0.00 46.19 44.50 1lm0 s LEU 128 CO 0.05 -0.36 2.18 0.00 1.01 0.00 0.00 176.35 179.24 1lm0 n ALA 129 N 4.63 5.50 -1.19 4.21 0.00 -1.26 -2.79 120.51 129.61 1lm0 n ALA 129 Ca -0.09 -2.10 -0.35 0.00 0.00 0.00 0.00 53.44 50.89 1lm0 n ALA 129 Cb 0.43 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 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 0.35 2.82 -0.01 0.00 0.00 -1.26 -4.52 118.16 115.53 1lm0 n LYS 130 Ca 0.37 -2.01 -0.08 0.00 -0.00 0.00 0.00 58.31 56.59 1lm0 n LYS 130 Cb 0.58 -2.79 -0.06 0.00 -0.00 0.00 0.00 35.03 32.75 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 5.90 -0.08 0.00 5.58 2.07 -1.87 -3.50 115.15 123.25 1lm0 h HIS 131 Ca 0.66 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.17 1lm0 h HIS 131 Cb 0.35 0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1lm0 h HIS 131 CO 1.76 0.36 0.00 -0.25 -3.07 0.00 0.00 177.93 176.73