#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 -0.07 0.02 6.43 3.84 -1.26 -5.17 114.94 118.73 1lm0 s ASN 33 Ca 0.00 0.09 -0.06 0.00 0.21 0.00 0.00 52.86 53.10 1lm0 s ASN 33 Cb 0.00 0.25 -0.01 0.00 -0.55 0.00 0.00 41.25 40.94 1lm0 s ASN 33 CO 0.00 -0.15 0.12 -0.76 -2.79 0.00 0.00 177.10 173.51 1lm0 s LEU 34 N -0.43 1.68 -0.15 3.21 1.43 -1.26 -5.16 118.68 117.99 1lm0 s LEU 34 Ca -0.05 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1lm0 s LEU 34 Cb -0.03 0.64 0.04 0.00 0.03 0.00 0.00 46.19 46.87 1lm0 s LEU 34 CO 0.00 -0.45 -0.03 0.54 0.23 0.00 0.00 176.35 176.64 1lm0 s ASN 35 N -1.82 2.63 0.26 2.29 2.20 -1.26 -4.75 114.94 114.50 1lm0 s ASN 35 Ca -0.09 -0.59 -0.03 0.00 -0.94 0.00 0.00 52.86 51.21 1lm0 s ASN 35 Cb -0.04 -0.78 -0.02 0.00 -2.00 0.00 0.00 41.25 38.41 1lm0 s ASN 35 CO -0.02 -0.21 0.31 -1.48 -2.94 0.00 0.00 177.10 172.76 1lm0 s LEU 36 N 1.73 1.03 -0.15 3.54 2.34 -1.26 -4.95 118.68 120.96 1lm0 s LEU 36 Ca 0.01 -1.37 -0.24 0.00 0.06 0.00 0.00 54.13 52.59 1lm0 s LEU 36 Cb -0.15 0.96 -0.02 0.00 -0.56 0.00 0.00 46.19 46.42 1lm0 s LEU 36 CO -0.07 -1.04 0.77 -0.36 -1.06 0.00 0.00 176.35 174.58 1lm0 s PHE 37 N -3.77 3.44 0.07 3.48 0.08 -1.26 -1.24 117.98 118.78 1lm0 s PHE 37 Ca 0.34 1.19 0.05 0.00 0.12 0.00 0.00 56.93 58.63 1lm0 s PHE 37 Cb 0.03 -2.94 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 1lm0 s PHE 37 CO 0.16 -0.17 -0.15 0.71 -0.10 0.00 0.00 175.22 175.67 1lm0 s TYR 38 N 1.85 1.26 0.08 0.36 2.02 0.49 -4.94 117.35 118.48 1lm0 s TYR 38 Ca 0.36 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1lm0 s TYR 38 Cb -0.17 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.63 1lm0 s TYR 38 CO 0.13 0.07 1.07 0.99 -1.57 0.00 0.00 175.55 176.24 1lm0 s THR 39 N -1.20 4.29 0.44 -0.71 2.01 -1.26 -0.65 115.64 118.56 1lm0 s THR 39 Ca -0.01 1.77 0.10 0.00 0.31 0.00 0.00 61.69 63.86 1lm0 s THR 39 Cb -0.10 -4.13 0.28 0.00 0.01 0.00 0.00 72.50 68.56 1lm0 s THR 39 CO 0.02 0.20 2.06 1.55 -0.69 0.00 0.00 174.62 177.77 1lm0 h PRO 40 N 6.14 0.39 0.00 4.92 0.13 -1.88 -0.64 132.00 141.06 1lm0 h PRO 40 Ca -0.42 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1lm0 h PRO 40 Cb 1.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1lm0 h PRO 40 CO 0.76 0.26 -0.01 0.66 -0.23 0.00 0.00 178.00 179.44 1lm0 h SER 41 N 0.40 0.00 -0.57 1.44 4.64 -1.90 0.10 113.55 117.67 1lm0 h SER 41 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1lm0 h SER 41 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1lm0 h SER 41 CO -0.03 0.01 0.00 1.21 -0.87 0.00 0.00 176.83 177.14 1lm0 n GLU 42 N -3.23 3.24 -1.50 4.77 2.13 -0.25 -3.75 120.64 122.05 1lm0 n GLU 42 Ca -0.03 -2.43 -0.07 0.00 0.66 0.00 0.00 57.16 55.29 1lm0 n GLU 42 Cb 0.10 -1.77 0.10 0.00 0.27 0.00 0.00 31.44 30.14 1lm0 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1lm0 n ILE 43 N 1.00 2.00 0.00 6.31 -5.35 0.35 -4.72 119.36 118.95 1lm0 n ILE 43 Ca 0.22 -3.36 0.00 0.00 -0.27 0.00 0.00 62.75 59.34 1lm0 n ILE 43 Cb 0.75 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 -0.73 0.00 -2.06 7.28 3.14 -1.21 -3.76 118.33 121.00 1lm0 n VAL 44 Ca 0.26 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.24 1lm0 n VAL 44 Cb 0.86 -0.47 -0.03 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.48 5.55 -1.04 6.55 0.01 -1.26 -1.88 114.94 123.35 1lm0 s ASN 45 Ca 0.00 0.66 -0.06 0.00 -0.71 0.00 0.00 52.86 52.75 1lm0 s ASN 45 Cb 0.00 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.14 1lm0 s ASN 45 CO 0.00 -2.10 0.83 0.61 -1.51 0.00 0.00 177.10 174.94 1lm0 n GLY 46 N 5.56 -0.18 0.00 0.66 0.00 -1.26 -4.92 105.19 105.05 1lm0 n GLY 46 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.81 0.00 -0.03 1.61 4.76 -0.79 -4.52 118.16 115.39 1lm0 n LYS 47 Ca -0.01 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.27 1lm0 n LYS 47 Cb 0.55 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.61 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 1.67 -0.30 -0.18 2.02 -1.64 0.37 112.91 114.84 1lm0 h THR 48 Ca 0.00 -2.40 0.05 0.00 0.77 0.00 0.00 66.41 64.83 1lm0 h THR 48 Cb 0.00 3.29 -0.05 0.00 -1.74 0.00 0.00 68.15 69.65 1lm0 h THR 48 CO 0.00 0.64 -0.02 -0.78 0.37 0.00 0.00 175.52 175.73 1lm0 h ASP 49 N -0.79 -0.15 0.32 4.18 3.58 -1.65 -1.38 116.42 120.53 1lm0 h ASP 49 Ca -0.06 0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.31 1lm0 h ASP 49 Cb 1.22 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1lm0 h ASP 49 CO 0.04 -0.04 -0.63 0.74 -2.88 0.00 0.00 179.24 176.47 1lm0 h THR 50 N 0.07 1.38 -2.47 2.25 2.02 -1.69 -3.43 112.91 111.04 1lm0 h THR 50 Ca 0.14 -2.02 -0.11 0.00 0.77 0.00 0.00 66.41 65.19 1lm0 h THR 50 Cb 0.20 2.02 0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1lm0 h THR 50 CO -0.26 0.60 -0.20 0.61 0.37 0.00 0.00 175.52 176.64 1lm0 n GLY 51 N 0.34 0.49 0.13 2.16 0.00 0.12 -4.92 105.19 103.52 1lm0 n GLY 51 Ca -0.03 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.09 1.50 -0.01 1.61 0.24 -0.64 -4.76 118.33 113.18 1lm0 n VAL 52 Ca -0.01 -0.53 -0.01 0.00 -2.04 0.00 0.00 64.34 61.75 1lm0 n VAL 52 Cb 0.52 -1.53 -0.00 0.00 -1.47 0.00 0.00 33.84 31.36 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 -3.49 0.07 -2.29 7.34 4.76 -1.26 -4.79 118.16 118.51 1lm0 n LYS 53 Ca -0.48 0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 54.60 1lm0 n LYS 53 Cb 0.97 -0.45 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 1lm0 n LYS 53 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1lm0 n PRO 54 N -2.88 2.60 -1.70 1.97 -0.04 -1.26 -4.95 135.00 128.74 1lm0 n PRO 54 Ca -0.02 -2.91 -0.42 0.00 -0.04 0.00 0.00 63.50 60.10 1lm0 n PRO 54 Cb 0.07 -3.53 -0.01 0.00 -0.04 0.00 0.00 33.50 29.99 1lm0 n PRO 54 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1lm0 n GLU 55 N 8.13 2.13 -1.84 0.54 1.02 -1.26 -4.57 120.64 124.78 1lm0 n GLU 55 Ca 0.48 0.75 -0.38 0.00 -0.02 0.00 0.00 57.16 57.99 1lm0 n GLU 55 Cb 0.45 -2.33 0.04 0.00 -0.02 0.00 0.00 31.44 29.58 1lm0 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lm0 s ALA 56 N -1.10 2.75 0.00 0.62 0.00 -1.26 -3.47 121.76 119.30 1lm0 s ALA 56 Ca 0.55 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1lm0 s ALA 56 Cb -0.57 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1lm0 s ALA 56 CO 0.62 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1lm0 n GLY 57 N 0.71 0.76 3.86 0.00 0.00 0.12 -4.83 105.19 105.81 1lm0 n GLY 57 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.49 3.70 -0.28 1.61 -0.21 -1.23 -4.77 119.66 117.98 1lm0 s GLN 58 Ca 0.00 0.15 -0.21 0.00 0.02 0.00 0.00 55.36 55.32 1lm0 s GLN 58 Cb 0.00 -3.19 -0.01 0.00 1.00 0.00 0.00 33.01 30.81 1lm0 s GLN 58 CO 0.00 0.72 0.66 1.03 -2.12 0.00 0.00 175.29 175.58 1lm0 s ARG 59 N -1.13 4.01 0.29 2.91 1.81 -1.26 -1.09 118.95 124.49 1lm0 s ARG 59 Ca 0.21 0.47 0.02 0.00 -1.72 0.00 0.00 55.73 54.71 1lm0 s ARG 59 Cb -0.14 -3.69 -0.03 0.00 -0.45 0.00 0.00 34.95 30.64 1lm0 s ARG 59 CO 0.10 -0.52 0.28 0.96 -0.68 0.00 0.00 175.30 175.45 1lm0 s ILE 60 N 2.62 0.00 -0.23 1.52 -4.36 -1.08 -4.43 121.20 115.25 1lm0 s ILE 60 Ca 0.27 -1.89 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1lm0 s ILE 60 Cb -0.15 -2.51 0.05 0.00 1.25 0.00 0.00 42.46 41.10 1lm0 s ILE 60 CO 0.10 0.00 -0.13 -0.13 0.24 0.00 0.00 174.94 175.02 1lm0 s ARG 61 N -3.61 2.36 -0.06 0.37 0.52 -0.37 -2.42 118.95 115.74 1lm0 s ARG 61 Ca 0.37 -1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 1lm0 s ARG 61 Cb 0.03 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 1lm0 s ARG 61 CO 0.21 -0.45 0.94 0.54 0.02 0.00 0.00 175.30 176.56 1lm0 s VAL 62 N 1.22 4.86 -0.16 3.52 0.11 0.33 -0.38 120.40 129.91 1lm0 s VAL 62 Ca -0.04 1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 60.94 1lm0 s VAL 62 Cb -0.17 -4.27 0.04 0.00 -1.53 0.00 0.00 36.38 30.45 1lm0 s VAL 62 CO -0.08 0.11 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.93 1lm0 s GLY 63 N 1.03 0.90 0.02 6.54 0.00 0.18 -0.32 107.32 115.67 1lm0 s GLY 63 Ca 0.48 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 1lm0 s GLY 63 CO 0.22 1.00 0.40 0.61 0.00 0.00 0.00 173.10 175.34 1lm0 n GLY 64 N 4.91 0.72 3.76 0.20 0.00 -0.76 -4.13 105.19 109.88 1lm0 n GLY 64 Ca -0.11 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.01 4.20 -0.13 1.61 0.23 -1.13 -1.15 119.30 120.92 1lm0 s MET 65 Ca 0.09 0.35 -0.06 0.00 -1.03 0.00 0.00 55.69 55.04 1lm0 s MET 65 Cb -0.01 -3.37 -0.04 0.00 -1.53 0.00 0.00 34.83 29.88 1lm0 s MET 65 CO 0.01 0.33 0.09 0.08 -2.03 0.00 0.00 175.02 173.50 1lm0 s VAL 66 N 0.11 5.08 0.00 5.16 1.01 -0.67 -1.19 120.40 129.90 1lm0 s VAL 66 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1lm0 s VAL 66 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1lm0 s VAL 66 CO 0.09 0.57 0.10 0.41 0.00 0.00 0.00 175.10 176.27 1lm0 n THR 67 N 2.45 0.00 0.00 3.92 -1.04 -1.26 -3.30 114.28 115.05 1lm0 n THR 67 Ca -0.19 0.60 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1lm0 n THR 67 Cb 0.54 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1lm0 n VAL 68 N -0.20 0.00 -2.70 12.58 3.14 -1.26 -4.00 118.33 125.89 1lm0 n VAL 68 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1lm0 n VAL 68 Cb 0.00 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 32.89 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 0.00 1.85 0.02 7.55 0.00 -1.26 -4.62 105.19 108.74 1lm0 n GLY 69 Ca 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.15 0.39 -4.73 1.61 7.64 -1.26 -4.88 113.62 111.24 1lm0 n SER 70 Ca -0.10 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1lm0 n SER 70 Cb 0.86 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 1lm0 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm0 s MET 71 N -3.04 4.34 -0.15 1.43 0.00 -1.26 -3.99 119.30 116.63 1lm0 s MET 71 Ca 0.11 2.10 0.01 0.00 0.00 0.00 0.00 55.69 57.91 1lm0 s MET 71 Cb 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 34.83 31.79 1lm0 s MET 71 CO 0.63 -0.36 -0.18 0.14 0.00 0.00 0.00 175.02 175.25 1lm0 s VAL 72 N 0.55 2.45 0.01 5.16 -7.23 0.35 -4.99 120.40 116.69 1lm0 s VAL 72 Ca 0.61 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.92 1lm0 s VAL 72 Cb -0.37 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1lm0 s VAL 72 CO 0.35 0.53 0.16 0.00 -0.31 0.00 0.00 175.10 175.82 1lm0 s ARG 73 N 0.80 3.31 0.37 4.82 1.70 -1.26 -1.28 118.95 127.41 1lm0 s ARG 73 Ca -0.06 -0.40 -0.15 0.00 -0.47 0.00 0.00 55.73 54.64 1lm0 s ARG 73 Cb -0.15 -3.01 -0.09 0.00 -0.57 0.00 0.00 34.95 31.13 1lm0 s ARG 73 CO -0.00 0.65 0.80 -0.51 -1.08 0.00 0.00 175.30 175.16 1lm0 s ASP 74 N -2.00 6.74 0.56 -2.89 1.01 -0.19 -4.98 116.67 114.92 1lm0 s ASP 74 Ca 0.27 1.34 0.34 0.00 0.71 0.00 0.00 52.55 55.21 1lm0 s ASP 74 Cb -0.12 -2.40 1.55 0.00 1.01 0.00 0.00 42.92 42.95 1lm0 s ASP 74 CO 0.19 -0.30 2.06 1.55 0.21 0.00 0.00 175.17 178.88 1lm0 h PRO 75 N 1.88 0.00 -1.13 8.23 0.13 -2.00 0.11 132.00 139.22 1lm0 h PRO 75 Ca -0.48 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.02 1lm0 h PRO 75 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1lm0 h PRO 75 CO 0.64 0.04 0.69 -0.91 -0.23 0.00 0.00 178.00 178.23 1lm0 h ASN 76 N 0.00 0.38 0.00 1.44 2.35 -1.93 -3.45 115.58 114.37 1lm0 h ASN 76 Ca -0.00 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1lm0 h ASN 76 Cb 0.41 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1lm0 h ASN 76 CO 0.01 -0.16 0.00 -1.20 -1.65 0.00 0.00 177.43 174.42 1lm0 n SER 77 N -4.88 -3.98 -0.12 5.81 7.64 0.38 -4.81 113.62 113.65 1lm0 n SER 77 Ca 0.34 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.28 1lm0 n SER 77 Cb 1.18 -1.56 0.09 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.86 -3.73 -3.43 -0.00 -1.26 -3.84 117.00 106.59 1lm0 n LEU 78 Ca 0.00 -2.47 -0.13 0.00 -0.00 0.00 0.00 56.01 53.41 1lm0 n LEU 78 Cb 0.18 -0.27 -0.13 0.00 -0.00 0.00 0.00 43.42 43.19 1lm0 n LEU 78 CO 0.00 0.58 -0.14 -1.00 -0.00 0.00 0.00 177.39 176.83 1lm0 s HIS 79 N -2.02 -0.30 -0.21 1.47 3.76 -1.26 -0.73 115.29 116.00 1lm0 s HIS 79 Ca 0.20 0.74 -0.04 0.00 -0.15 0.00 0.00 55.06 55.82 1lm0 s HIS 79 Cb 0.18 0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.99 1lm0 s HIS 79 CO 0.02 -0.22 0.23 0.14 -0.85 0.00 0.00 174.74 174.05 1lm0 s VAL 80 N 1.23 -0.33 0.09 -0.90 -7.23 -1.09 -1.02 120.40 111.16 1lm0 s VAL 80 Ca -0.09 -0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.00 1lm0 s VAL 80 Cb -0.10 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 1lm0 s VAL 80 CO -0.08 -0.21 -0.01 0.00 -0.31 0.00 0.00 175.10 174.48 1lm0 s GLN 81 N 2.33 2.48 -0.12 4.82 -2.07 -0.41 -2.45 119.66 124.25 1lm0 s GLN 81 Ca 0.07 -0.87 -0.14 0.00 -1.82 0.00 0.00 55.36 52.60 1lm0 s GLN 81 Cb -0.16 -2.50 0.04 0.00 -1.09 0.00 0.00 33.01 29.29 1lm0 s GLN 81 CO -0.13 0.53 0.38 -0.59 -1.32 0.00 0.00 175.29 174.17 1lm0 s PHE 82 N -1.31 -0.39 0.04 9.60 -0.71 0.12 -0.50 117.98 124.85 1lm0 s PHE 82 Ca 0.25 0.89 -0.24 0.00 -1.04 0.00 0.00 56.93 56.80 1lm0 s PHE 82 Cb -0.12 0.14 -0.06 0.00 -1.21 0.00 0.00 43.02 41.78 1lm0 s PHE 82 CO 0.18 -0.25 0.72 0.00 -1.34 0.00 0.00 175.22 174.53 1lm0 s ALA 83 N -0.14 3.41 0.15 1.99 0.00 -1.26 -0.70 121.76 125.20 1lm0 s ALA 83 Ca -0.03 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.24 1lm0 s ALA 83 Cb -0.03 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1lm0 s ALA 83 CO 0.02 0.11 -0.14 0.08 0.00 0.00 0.00 175.76 175.83 1lm0 s VAL 84 N -0.19 3.04 0.23 0.00 1.01 0.40 -4.28 120.40 120.62 1lm0 s VAL 84 Ca 0.36 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1lm0 s VAL 84 Cb -0.20 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1lm0 s VAL 84 CO 0.22 -0.00 0.12 0.00 0.00 0.00 0.00 175.10 175.44 1lm0 n HIS 85 N 0.42 -0.13 -4.50 5.22 1.44 -0.33 -0.95 115.22 116.38 1lm0 n HIS 85 Ca -0.13 -1.66 -0.24 0.00 -2.01 0.00 0.00 57.72 53.68 1lm0 n HIS 85 Cb 0.54 0.07 -0.10 0.00 0.12 0.00 0.00 29.99 30.61 1lm0 n HIS 85 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1lm0 s ASP 86 N -2.51 2.77 0.27 4.39 2.15 -1.26 -2.83 116.67 119.66 1lm0 s ASP 86 Ca 0.17 -1.43 -0.00 0.00 0.43 0.00 0.00 52.55 51.72 1lm0 s ASP 86 Cb 0.01 -0.03 0.60 0.00 -0.30 0.00 0.00 42.92 43.20 1lm0 s ASP 86 CO 0.12 -0.64 1.69 0.28 -0.17 0.00 0.00 175.17 176.46 1lm0 h SER 87 N 1.97 0.17 0.00 -0.34 0.02 -1.99 -3.33 113.55 110.06 1lm0 h SER 87 Ca -0.41 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1lm0 h SER 87 Cb 1.25 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1lm0 h SER 87 CO 0.70 -0.02 0.00 0.18 -1.14 0.00 0.00 176.83 176.55 1lm0 n LEU 88 N -5.10 2.01 0.00 5.07 7.99 -1.26 -5.00 117.00 120.71 1lm0 n LEU 88 Ca 0.18 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 1lm0 n LEU 88 Cb 0.56 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1lm0 n LEU 88 CO 0.12 -0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.46 1lm0 n GLY 89 N 2.34 -0.01 2.16 -0.72 0.00 -1.25 -5.04 105.19 102.67 1lm0 n GLY 89 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1lm0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLY 90 N 0.00 3.56 3.61 -0.02 0.00 -1.26 -4.79 105.19 106.29 1lm0 n GLY 90 Ca 0.00 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 0.64 3.44 0.03 1.61 2.12 -1.26 -3.90 118.70 121.39 1lm0 s GLU 91 Ca 0.66 1.71 -0.07 0.00 0.36 0.00 0.00 54.97 57.63 1lm0 s GLU 91 Cb 0.30 -4.20 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1lm0 s GLU 91 CO -0.05 -1.73 0.12 0.42 -0.54 0.00 0.00 175.26 173.48 1lm0 s ILE 92 N 6.69 0.12 -0.20 -3.70 -1.09 -0.13 -4.95 121.20 117.94 1lm0 s ILE 92 Ca 0.84 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 58.23 1lm0 s ILE 92 Cb -0.27 -0.80 -0.02 0.00 -1.58 0.00 0.00 42.46 39.78 1lm0 s ILE 92 CO 0.34 -0.54 0.00 -0.76 -1.23 0.00 0.00 174.94 172.75 1lm0 s LEU 93 N -1.97 3.27 -0.14 2.97 1.43 -1.26 -0.45 118.68 122.52 1lm0 s LEU 93 Ca -0.07 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1lm0 s LEU 93 Cb -0.02 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1lm0 s LEU 93 CO -0.03 0.06 -0.00 -0.69 0.23 0.00 0.00 176.35 175.92 1lm0 s VAL 94 N 1.01 4.22 -0.03 -1.59 1.01 0.12 -2.43 120.40 122.71 1lm0 s VAL 94 Ca 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1lm0 s VAL 94 Cb -0.14 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1lm0 s VAL 94 CO 0.02 0.51 0.03 0.42 0.00 0.00 0.00 175.10 176.08 1lm0 s THR 95 N 0.04 4.42 0.18 3.92 -4.23 0.37 -0.70 115.64 119.64 1lm0 s THR 95 Ca 0.02 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1lm0 s THR 95 Cb -0.13 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1lm0 s THR 95 CO 0.02 0.43 0.07 -0.47 -0.54 0.00 0.00 174.62 174.13 1lm0 s TYR 96 N -1.07 1.14 -0.01 3.99 6.14 -1.03 -1.11 117.35 125.41 1lm0 s TYR 96 Ca 0.19 -1.20 -0.07 0.00 0.64 0.00 0.00 57.07 56.63 1lm0 s TYR 96 Cb -0.12 -0.63 0.00 0.00 0.42 0.00 0.00 41.96 41.64 1lm0 s TYR 96 CO 0.09 -0.44 0.14 0.16 0.64 0.00 0.00 175.55 176.14 1lm0 s ASP 97 N -3.15 -0.01 -0.49 4.32 1.47 -1.26 -2.67 116.67 114.88 1lm0 s ASP 97 Ca 0.30 -0.11 -0.02 0.00 1.18 0.00 0.00 52.55 53.90 1lm0 s ASP 97 Cb 0.07 0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.88 1lm0 s ASP 97 CO 0.07 -0.30 0.48 0.47 0.68 0.00 0.00 175.17 176.57 1lm0 n ASP 98 N 1.78 -6.15 0.00 2.11 8.00 0.09 -4.84 116.55 117.54 1lm0 n ASP 98 Ca -0.21 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1lm0 n ASP 98 Cb 0.56 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1lm0 n LEU 99 N -1.33 0.00 -3.59 0.64 4.32 -1.25 -4.88 117.00 110.91 1lm0 n LEU 99 Ca 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.85 1lm0 n LEU 99 Cb 0.47 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 1lm0 n LEU 99 CO 0.37 0.00 0.29 -0.76 -1.22 0.00 0.00 177.39 176.07 1lm0 s LEU 100 N 0.00 -0.10 -0.40 2.23 1.43 -1.26 -4.74 118.68 115.84 1lm0 s LEU 100 Ca 0.00 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 1lm0 s LEU 100 Cb 0.00 2.11 -0.00 0.00 0.03 0.00 0.00 46.19 48.32 1lm0 s LEU 100 CO 0.00 -0.63 1.62 -2.16 0.23 0.00 0.00 176.35 175.41 1lm0 s PRO 101 N -1.79 3.36 -1.61 1.29 0.04 -1.26 -3.92 135.00 131.12 1lm0 s PRO 101 Ca -0.09 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 1lm0 s PRO 101 Cb -0.01 -4.14 0.09 0.00 0.04 0.00 0.00 34.50 30.48 1lm0 s PRO 101 CO 0.04 -1.83 0.50 -0.25 0.04 0.00 0.00 177.00 175.50 1lm0 n ASP 102 N 9.87 -1.36 -3.92 6.66 8.00 -1.26 -0.19 116.55 134.36 1lm0 n ASP 102 Ca 0.19 -1.09 -0.27 0.00 0.71 0.00 0.00 54.79 54.33 1lm0 n ASP 102 Cb 0.48 -2.48 -0.07 0.00 -0.02 0.00 0.00 41.12 39.03 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lm0 n LEU 103 N -4.39 -0.73 -4.13 0.64 -0.00 -1.25 -2.57 117.00 104.58 1lm0 n LEU 103 Ca -0.12 -1.00 -0.40 0.00 -0.00 0.00 0.00 56.01 54.50 1lm0 n LEU 103 Cb 0.59 -1.25 -0.02 0.00 -0.00 0.00 0.00 43.42 42.74 1lm0 n LEU 103 CO 0.84 0.29 -0.26 2.22 -0.00 0.00 0.00 177.39 180.48 1lm0 n PHE 104 N -3.68 -1.25 -1.34 1.47 1.16 0.74 -2.00 117.46 112.57 1lm0 n PHE 104 Ca -0.16 0.22 -0.52 0.00 -1.87 0.00 0.00 57.45 55.11 1lm0 n PHE 104 Cb 0.50 -2.61 -0.07 0.00 -1.61 0.00 0.00 39.48 35.69 1lm0 n PHE 104 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1lm0 n ARG 105 N -4.71 0.00 -2.02 3.97 3.00 -1.06 -4.81 116.66 111.03 1lm0 n ARG 105 Ca -0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.34 1lm0 n ARG 105 Cb 0.57 -1.32 0.01 0.00 0.00 0.00 0.00 32.46 31.72 1lm0 n ARG 105 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1lm0 s GLU 106 N -0.04 3.29 0.00 5.56 2.02 -0.85 -4.11 118.70 124.57 1lm0 s GLU 106 Ca 0.80 1.20 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1lm0 s GLU 106 Cb -1.12 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1lm0 s GLU 106 CO 0.51 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1lm0 n GLY 107 N -1.00 0.99 3.72 -1.39 0.00 -1.21 -4.90 105.19 101.40 1lm0 n GLY 107 Ca 0.09 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.94 2.14 0.07 1.61 -2.07 -1.24 -5.00 119.66 112.24 1lm0 s GLN 108 Ca 0.00 -1.52 -0.20 0.00 -1.82 0.00 0.00 55.36 51.82 1lm0 s GLN 108 Cb 0.00 0.58 -0.07 0.00 -1.09 0.00 0.00 33.01 32.43 1lm0 s GLN 108 CO 0.00 -0.97 0.59 0.20 -1.32 0.00 0.00 175.29 173.78 1lm0 s GLY 109 N -3.11 2.69 0.11 2.60 0.00 -1.26 -1.67 107.32 106.68 1lm0 s GLY 109 Ca 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.97 1lm0 s GLY 109 CO 0.14 0.52 0.00 -0.26 0.00 0.00 0.00 173.10 173.50 1lm0 s ILE 110 N -1.03 0.30 -0.16 0.90 -5.25 -0.30 -4.51 121.20 111.16 1lm0 s ILE 110 Ca 0.30 -1.89 0.02 0.00 -0.99 0.00 0.00 60.65 58.08 1lm0 s ILE 110 Cb -0.20 -1.84 0.01 0.00 2.95 0.00 0.00 42.46 43.39 1lm0 s ILE 110 CO 0.19 -0.70 -0.21 0.68 -1.79 0.00 0.00 174.94 173.12 1lm0 s VAL 111 N -3.89 2.04 -0.20 8.37 -7.23 -0.79 -1.82 120.40 116.86 1lm0 s VAL 111 Ca 0.17 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1lm0 s VAL 111 Cb 0.07 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.19 1lm0 s VAL 111 CO -0.03 0.54 -0.08 0.00 -0.31 0.00 0.00 175.10 175.22 1lm0 s ALA 112 N 1.04 2.70 -0.15 1.32 0.00 0.57 -0.47 121.76 126.76 1lm0 s ALA 112 Ca -0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 1lm0 s ALA 112 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1lm0 s ALA 112 CO -0.07 -0.35 0.15 -0.65 0.00 0.00 0.00 175.76 174.84 1lm0 s GLN 113 N 1.33 3.81 0.00 0.00 -0.21 0.50 -0.51 119.66 124.59 1lm0 s GLN 113 Ca 0.04 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1lm0 s GLN 113 Cb -0.14 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1lm0 s GLN 113 CO -0.04 0.55 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 1lm0 n GLY 114 N 2.70 1.27 3.22 3.09 0.00 -1.02 -2.73 105.19 111.72 1lm0 n GLY 114 Ca -0.18 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1lm0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm0 s VAL 115 N -2.54 1.74 0.61 1.61 0.11 0.25 -2.62 120.40 119.57 1lm0 s VAL 115 Ca 0.00 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 57.99 1lm0 s VAL 115 Cb 0.00 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 1lm0 s VAL 115 CO 0.00 0.49 1.06 -0.76 -3.33 0.00 0.00 175.10 172.57 1lm0 s LEU 116 N -0.22 3.45 0.00 2.54 1.02 -0.25 -1.59 118.68 123.64 1lm0 s LEU 116 Ca 0.01 1.82 0.00 0.00 0.02 0.00 0.00 54.13 55.97 1lm0 s LEU 116 Cb -0.11 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.57 1lm0 s LEU 116 CO 0.02 -1.25 0.00 0.61 0.02 0.00 0.00 176.35 175.75 1lm0 n GLY 117 N -1.02 -0.06 3.67 -3.19 0.00 -1.25 0.12 105.19 103.45 1lm0 n GLY 117 Ca 0.09 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.47 0.33 -1.96 1.61 1.02 -1.24 -4.80 120.64 114.13 1lm0 n GLU 118 Ca 0.00 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1lm0 n GLU 118 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1lm0 n GLU 118 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1lm0 n ASP 119 N -2.73 4.16 0.00 1.62 2.03 -1.26 -3.48 116.55 116.89 1lm0 n ASP 119 Ca 0.13 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.58 1lm0 n ASP 119 Cb 0.50 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm0 n GLY 120 N 4.41 1.11 3.62 0.27 0.00 -1.26 -5.02 105.19 108.31 1lm0 n GLY 120 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.24 1.96 0.05 1.61 3.01 -1.23 -4.60 119.74 120.30 1lm0 s LYS 121 Ca 0.00 -2.11 0.08 0.00 -1.01 0.00 0.00 55.97 52.92 1lm0 s LYS 121 Cb 0.00 -1.63 -0.03 0.00 -1.01 0.00 0.00 37.83 35.17 1lm0 s LYS 121 CO 0.00 -0.06 -0.22 -0.51 0.51 0.00 0.00 175.35 175.07 1lm0 s LEU 122 N -3.71 2.18 -0.33 3.17 1.02 -1.02 -3.68 118.68 116.31 1lm0 s LEU 122 Ca 0.34 -0.55 -0.05 0.00 0.02 0.00 0.00 54.13 53.89 1lm0 s LEU 122 Cb 0.10 -1.03 0.04 0.00 0.02 0.00 0.00 46.19 45.32 1lm0 s LEU 122 CO 0.18 0.17 0.08 0.00 0.02 0.00 0.00 176.35 176.80 1lm0 s ALA 123 N -0.83 2.99 -0.02 4.21 0.00 -0.62 -0.48 121.76 127.01 1lm0 s ALA 123 Ca 0.08 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.30 1lm0 s ALA 123 Cb -0.09 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1lm0 s ALA 123 CO 0.02 -1.33 -0.09 0.00 0.00 0.00 0.00 175.76 174.36 1lm0 s ALA 124 N 1.36 0.81 0.00 0.00 0.00 -0.27 -0.58 121.76 123.09 1lm0 s ALA 124 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1lm0 s ALA 124 Cb -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1lm0 s ALA 124 CO 0.02 0.14 0.35 -2.37 0.00 0.00 0.00 175.76 173.90 1lm0 n THR 125 N 3.21 0.00 -3.68 0.00 5.66 -1.20 -3.99 114.28 114.28 1lm0 n THR 125 Ca -0.17 -0.46 -0.36 0.00 -3.05 0.00 0.00 64.05 60.01 1lm0 n THR 125 Cb 0.55 1.06 -0.08 0.00 -1.55 0.00 0.00 70.33 70.31 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 -0.22 3.04 -0.20 1.09 2.02 -1.10 -5.00 118.70 118.33 1lm0 s GLU 126 Ca 0.00 -3.09 -0.14 0.00 0.02 0.00 0.00 54.97 51.76 1lm0 s GLU 126 Cb 0.00 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 1lm0 s GLU 126 CO 0.00 -1.24 0.29 0.14 0.02 0.00 0.00 175.26 174.47 1lm0 s VAL 127 N -1.02 5.28 -0.34 2.63 -7.23 -1.26 -0.37 120.40 118.10 1lm0 s VAL 127 Ca 0.24 0.50 -0.02 0.00 -1.81 0.00 0.00 61.98 60.89 1lm0 s VAL 127 Cb -0.10 -3.63 0.07 0.00 0.56 0.00 0.00 36.38 33.28 1lm0 s VAL 127 CO -0.10 0.33 0.07 -0.76 -0.31 0.00 0.00 175.10 174.33 1lm0 s LEU 128 N 0.95 4.38 -0.30 1.32 2.01 0.38 -4.91 118.68 122.50 1lm0 s LEU 128 Ca 0.15 -1.52 -0.05 0.00 0.01 0.00 0.00 54.13 52.72 1lm0 s LEU 128 Cb -0.14 -1.76 -0.05 0.00 0.01 0.00 0.00 46.19 44.25 1lm0 s LEU 128 CO 0.05 -0.36 3.06 0.00 1.01 0.00 0.00 176.35 180.12 1lm0 n ALA 129 N 4.62 6.43 -1.42 4.21 0.00 -1.26 -1.89 120.51 131.20 1lm0 n ALA 129 Ca -0.09 -2.64 -0.39 0.00 0.00 0.00 0.00 53.44 50.31 1lm0 n ALA 129 Cb 0.43 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 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 1.42 3.14 -3.82 0.00 2.85 -1.26 -4.79 118.16 115.70 1lm0 n LYS 130 Ca 0.47 -2.28 -0.12 0.00 -1.05 0.00 0.00 58.31 55.33 1lm0 n LYS 130 Cb 0.67 -2.97 -0.12 0.00 -0.65 0.00 0.00 35.03 31.97 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 2.81 -0.16 0.00 5.58 2.46 -1.26 -5.03 115.29 119.69 1lm0 s HIS 131 Ca 0.58 0.39 0.00 0.00 0.47 0.00 0.00 55.06 56.50 1lm0 s HIS 131 Cb 0.16 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 1lm0 s HIS 131 CO -0.06 -0.14 0.00 -0.25 -2.47 0.00 0.00 174.74 171.82