#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 5.79 -0.09 6.43 3.84 -1.26 -5.10 114.94 124.56 1lm0 s ASN 33 Ca 0.00 0.94 -0.01 0.00 0.21 0.00 0.00 52.86 54.00 1lm0 s ASN 33 Cb 0.00 -1.97 -0.03 0.00 -0.55 0.00 0.00 41.25 38.70 1lm0 s ASN 33 CO 0.00 -0.99 -0.03 -0.76 -2.79 0.00 0.00 177.10 172.53 1lm0 s LEU 34 N -5.04 3.36 -0.43 3.21 1.02 -1.26 -5.09 118.68 114.45 1lm0 s LEU 34 Ca 0.53 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.75 1lm0 s LEU 34 Cb -0.11 -1.76 0.13 0.00 0.02 0.00 0.00 46.19 44.48 1lm0 s LEU 34 CO 0.48 0.35 0.23 0.20 0.02 0.00 0.00 176.35 177.62 1lm0 s ASN 35 N -0.71 3.67 0.31 2.29 0.02 -1.26 -4.72 114.94 114.54 1lm0 s ASN 35 Ca 0.11 -2.57 0.04 0.00 -1.02 0.00 0.00 52.86 49.41 1lm0 s ASN 35 Cb -0.11 -1.03 -0.04 0.00 0.02 0.00 0.00 41.25 40.09 1lm0 s ASN 35 CO 0.02 -0.28 0.18 -1.48 0.02 0.00 0.00 177.10 175.56 1lm0 s LEU 36 N 0.42 1.68 -0.23 0.60 2.34 -1.26 -4.87 118.68 117.35 1lm0 s LEU 36 Ca 0.17 -1.59 -0.26 0.00 0.06 0.00 0.00 54.13 52.51 1lm0 s LEU 36 Cb -0.24 0.25 -0.00 0.00 -0.56 0.00 0.00 46.19 45.64 1lm0 s LEU 36 CO -0.00 -0.92 0.88 -0.36 -1.06 0.00 0.00 176.35 174.89 1lm0 s PHE 37 N -3.59 3.33 0.32 3.48 0.08 -1.26 -0.97 117.98 119.38 1lm0 s PHE 37 Ca 0.36 1.23 0.10 0.00 0.12 0.00 0.00 56.93 58.73 1lm0 s PHE 37 Cb 0.04 -3.10 -0.05 0.00 -0.57 0.00 0.00 43.02 39.34 1lm0 s PHE 37 CO 0.19 -0.41 -0.02 0.71 -0.10 0.00 0.00 175.22 175.59 1lm0 s TYR 38 N 2.88 2.53 0.01 0.36 1.51 0.38 -4.88 117.35 120.14 1lm0 s TYR 38 Ca 0.37 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.80 1lm0 s TYR 38 Cb -0.15 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1lm0 s TYR 38 CO 0.07 0.54 0.76 0.99 -1.11 0.00 0.00 175.55 176.81 1lm0 s THR 39 N -2.49 4.84 0.19 -0.71 2.01 -1.26 -0.73 115.64 117.49 1lm0 s THR 39 Ca 0.33 1.61 -0.11 0.00 0.31 0.00 0.00 61.69 63.83 1lm0 s THR 39 Cb -0.02 -4.11 0.11 0.00 0.01 0.00 0.00 72.50 68.49 1lm0 s THR 39 CO 0.19 0.32 1.78 1.55 -0.69 0.00 0.00 174.62 177.77 1lm0 h PRO 40 N 6.07 0.51 0.00 4.92 0.13 -1.86 -0.04 132.00 141.73 1lm0 h PRO 40 Ca -0.43 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1lm0 h PRO 40 Cb 1.20 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1lm0 h PRO 40 CO 0.72 0.34 -0.03 1.03 -0.23 0.00 0.00 178.00 179.83 1lm0 h SER 41 N 0.53 0.00 -0.24 1.44 0.87 -1.84 -2.00 113.55 112.30 1lm0 h SER 41 Ca 0.26 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1lm0 h SER 41 Cb 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1lm0 h SER 41 CO -0.19 0.03 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.03 1lm0 h GLU 42 N 0.00 0.43 0.00 2.24 4.81 -1.32 -3.00 114.58 117.74 1lm0 h GLU 42 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1lm0 h GLU 42 Cb 0.11 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1lm0 h GLU 42 CO 0.00 0.64 0.00 0.44 -0.73 0.00 0.00 179.01 179.36 1lm0 n ILE 43 N -4.62 1.26 0.07 2.32 -5.35 -0.76 -0.80 119.36 111.49 1lm0 n ILE 43 Ca -0.04 0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 62.75 1lm0 n ILE 43 Cb 0.26 -1.29 -0.11 0.00 -1.74 0.00 0.00 39.64 36.76 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 1.67 0.00 7.28 3.04 -1.53 -0.87 116.25 125.84 1lm0 h VAL 44 Ca 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 66.70 62.37 1lm0 h VAL 44 Cb 0.16 2.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.28 1lm0 h VAL 44 CO 0.00 0.95 0.00 0.59 -1.01 0.00 0.00 177.57 178.10 1lm0 n ASN 45 N -3.40 0.00 -2.66 3.17 3.02 0.02 -4.44 115.26 110.97 1lm0 n ASN 45 Ca -0.01 0.17 -0.16 0.00 -0.03 0.00 0.00 54.58 54.55 1lm0 n ASN 45 Cb 0.94 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.94 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 2.31 3.17 0.00 7.41 0.00 -1.25 -4.64 105.19 112.18 1lm0 n GLY 46 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.16 0.00 -0.00 1.61 4.76 -1.26 -3.99 118.16 119.11 1lm0 n LYS 47 Ca 0.20 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.57 1lm0 n LYS 47 Cb 0.74 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.87 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 0.70 -0.57 -0.18 2.02 -1.56 0.66 112.91 113.99 1lm0 h THR 48 Ca 0.00 -1.34 0.06 0.00 0.77 0.00 0.00 66.41 65.90 1lm0 h THR 48 Cb 0.00 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.59 1lm0 h THR 48 CO 0.00 0.22 -0.56 -0.78 0.37 0.00 0.00 175.52 174.77 1lm0 h ASP 49 N -0.97 -1.93 1.25 4.18 1.82 -1.45 -1.48 116.42 117.85 1lm0 h ASP 49 Ca -0.01 0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1lm0 h ASP 49 Cb 0.45 0.81 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1lm0 h ASP 49 CO 0.02 -0.36 -0.36 0.74 -1.61 0.00 0.00 179.24 177.67 1lm0 h THR 50 N -0.29 0.00 -4.71 2.25 2.02 -1.78 -3.47 112.91 106.93 1lm0 h THR 50 Ca 0.10 -0.61 -0.24 0.00 0.77 0.00 0.00 66.41 66.43 1lm0 h THR 50 Cb 0.55 1.39 0.13 0.00 -1.74 0.00 0.00 68.15 68.47 1lm0 h THR 50 CO -0.69 0.00 -0.57 0.61 0.37 0.00 0.00 175.52 175.24 1lm0 n GLY 51 N 1.28 -0.17 0.40 2.16 0.00 0.19 -4.95 105.19 104.10 1lm0 n GLY 51 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.29 1.21 -0.06 1.61 0.24 -1.01 -4.91 118.33 112.11 1lm0 n VAL 52 Ca -0.21 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.34 62.00 1lm0 n VAL 52 Cb 0.62 -1.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.07 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 -3.99 0.36 -1.92 7.34 5.02 -1.26 -4.94 118.16 118.78 1lm0 n LYS 53 Ca -0.26 0.48 -0.29 0.00 -2.02 0.00 0.00 58.31 56.22 1lm0 n LYS 53 Cb 0.59 -1.51 0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1lm0 n LYS 53 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1lm0 s PRO 54 N -1.98 1.85 0.19 1.97 0.04 -1.26 -5.09 135.00 130.70 1lm0 s PRO 54 Ca -0.12 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.02 1lm0 s PRO 54 Cb 0.02 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1lm0 s PRO 54 CO 0.17 -1.66 -0.12 -2.00 0.04 0.00 0.00 177.00 173.43 1lm0 s GLU 55 N -5.59 1.23 0.72 4.56 2.12 -1.26 -4.75 118.70 115.73 1lm0 s GLU 55 Ca 0.63 -1.54 -0.13 0.00 0.36 0.00 0.00 54.97 54.28 1lm0 s GLU 55 Cb -0.10 -0.92 0.03 0.00 0.26 0.00 0.00 34.13 33.39 1lm0 s GLU 55 CO 0.49 0.13 1.12 0.00 -0.54 0.00 0.00 175.26 176.46 1lm0 s ALA 56 N -3.12 2.30 0.00 6.30 0.00 -1.26 -3.83 121.76 122.16 1lm0 s ALA 56 Ca 0.21 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1lm0 s ALA 56 Cb 0.01 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1lm0 s ALA 56 CO 0.05 -1.59 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1lm0 n GLY 57 N -0.59 0.81 3.65 0.00 0.00 0.11 -4.86 105.19 104.32 1lm0 n GLY 57 Ca 0.10 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1lm0 n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lm0 s GLN 58 N -0.64 2.42 -0.29 1.61 -0.21 -1.25 -4.87 119.66 116.44 1lm0 s GLN 58 Ca 0.00 -0.88 -0.14 0.00 0.02 0.00 0.00 55.36 54.36 1lm0 s GLN 58 Cb 0.00 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 1lm0 s GLN 58 CO 0.00 0.54 0.32 0.50 -2.12 0.00 0.00 175.29 174.53 1lm0 s ARG 59 N -2.21 3.91 0.34 2.91 3.00 -1.26 -0.90 118.95 124.74 1lm0 s ARG 59 Ca 0.24 -0.14 0.03 0.00 -1.00 0.00 0.00 55.73 54.86 1lm0 s ARG 59 Cb -0.11 -3.68 -0.01 0.00 0.00 0.00 0.00 34.95 31.14 1lm0 s ARG 59 CO 0.16 -0.30 0.37 0.96 0.00 0.00 0.00 175.30 176.50 1lm0 s ILE 60 N 1.98 0.00 0.00 4.11 -4.36 -0.36 -4.44 121.20 118.13 1lm0 s ILE 60 Ca 0.12 -1.82 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 1lm0 s ILE 60 Cb -0.16 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1lm0 s ILE 60 CO 0.11 0.00 -0.17 -0.13 0.24 0.00 0.00 174.94 174.98 1lm0 s ARG 61 N -3.22 1.35 -0.14 0.37 0.52 -0.14 -1.66 118.95 116.02 1lm0 s ARG 61 Ca 0.36 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 54.87 1lm0 s ARG 61 Cb 0.01 -1.33 -0.03 0.00 0.52 0.00 0.00 34.95 34.12 1lm0 s ARG 61 CO 0.25 0.36 -0.03 0.54 0.02 0.00 0.00 175.30 176.44 1lm0 s VAL 62 N -0.50 3.98 -0.04 3.52 0.11 0.63 -0.47 120.40 127.63 1lm0 s VAL 62 Ca 0.06 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1lm0 s VAL 62 Cb -0.07 -2.73 0.03 0.00 -1.53 0.00 0.00 36.38 32.08 1lm0 s VAL 62 CO -0.00 0.52 0.04 -0.83 -3.33 0.00 0.00 175.10 171.49 1lm0 s GLY 63 N 0.06 0.21 0.00 6.54 0.00 0.09 -0.50 107.32 113.71 1lm0 s GLY 63 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1lm0 s GLY 63 CO 0.03 1.05 0.00 0.61 0.00 0.00 0.00 173.10 174.79 1lm0 n GLY 64 N 4.80 -0.64 3.67 0.20 0.00 -1.16 -4.10 105.19 107.97 1lm0 n GLY 64 Ca -0.14 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.03 3.56 0.26 1.61 0.23 -0.61 -2.40 119.30 121.92 1lm0 s MET 65 Ca 0.00 -0.35 -0.29 0.00 -1.03 0.00 0.00 55.69 54.02 1lm0 s MET 65 Cb 0.00 -3.05 -0.09 0.00 -1.53 0.00 0.00 34.83 30.16 1lm0 s MET 65 CO 0.00 0.48 0.94 0.14 -2.03 0.00 0.00 175.02 174.56 1lm0 s VAL 66 N -0.24 4.09 0.12 5.16 -7.23 -1.26 -1.85 120.40 119.19 1lm0 s VAL 66 Ca 0.07 2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 61.96 1lm0 s VAL 66 Cb -0.12 -4.25 -0.06 0.00 0.56 0.00 0.00 36.38 32.51 1lm0 s VAL 66 CO 0.02 0.41 1.07 -0.89 -0.31 0.00 0.00 175.10 175.40 1lm0 s THR 67 N -1.28 4.18 0.21 5.32 2.01 -1.25 -4.01 115.64 120.82 1lm0 s THR 67 Ca 0.43 1.75 -0.15 0.00 0.31 0.00 0.00 61.69 64.03 1lm0 s THR 67 Cb -0.24 -4.12 0.23 0.00 0.01 0.00 0.00 72.50 68.38 1lm0 s THR 67 CO 0.30 0.24 1.61 1.62 -0.69 0.00 0.00 174.62 177.70 1lm0 h VAL 68 N 4.09 0.26 -1.97 3.82 3.04 -1.95 -2.73 116.25 120.82 1lm0 h VAL 68 Ca -0.43 0.00 -0.79 0.00 -1.01 0.00 0.00 66.70 64.47 1lm0 h VAL 68 Cb 1.21 0.26 -0.22 0.00 -2.01 0.00 0.00 31.29 30.53 1lm0 h VAL 68 CO 0.74 0.00 1.46 0.61 -1.01 0.00 0.00 177.57 179.37 1lm0 n GLY 69 N -1.46 5.70 2.66 3.17 0.00 -1.26 -4.64 105.19 109.36 1lm0 n GLY 69 Ca 0.08 -2.41 -0.09 0.00 0.00 0.00 0.00 46.02 43.59 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 0.82 -1.20 -3.62 1.61 7.64 -1.03 -5.02 113.62 112.83 1lm0 n SER 70 Ca 0.49 -2.84 -0.28 0.00 1.01 0.00 0.00 58.87 57.25 1lm0 n SER 70 Cb 0.27 0.83 -0.16 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.59 0.29 -0.05 1.43 1.75 -1.26 -2.95 119.30 117.92 1lm0 s MET 71 Ca 0.24 -0.43 0.05 0.00 -1.25 0.00 0.00 55.69 54.30 1lm0 s MET 71 Cb 0.38 -1.63 -0.01 0.00 2.84 0.00 0.00 34.83 36.41 1lm0 s MET 71 CO -0.06 -0.84 -0.20 0.14 -0.65 0.00 0.00 175.02 173.41 1lm0 s VAL 72 N 2.02 1.68 0.06 10.11 -7.23 -0.47 -5.03 120.40 121.54 1lm0 s VAL 72 Ca 0.05 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.43 1lm0 s VAL 72 Cb -0.16 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1lm0 s VAL 72 CO -0.22 0.48 -0.18 0.00 -0.31 0.00 0.00 175.10 174.87 1lm0 s ARG 73 N -0.03 1.08 0.63 4.82 3.03 -1.26 -0.67 118.95 126.55 1lm0 s ARG 73 Ca -0.04 -0.95 -0.13 0.00 2.03 0.00 0.00 55.73 56.63 1lm0 s ARG 73 Cb -0.13 -1.19 -0.02 0.00 -1.03 0.00 0.00 34.95 32.58 1lm0 s ARG 73 CO 0.03 0.29 1.05 -0.51 -1.13 0.00 0.00 175.30 175.02 1lm0 s ASP 74 N -1.46 5.78 0.59 -2.89 1.11 0.27 -4.95 116.67 115.11 1lm0 s ASP 74 Ca 0.04 1.67 0.37 0.00 0.18 0.00 0.00 52.55 54.81 1lm0 s ASP 74 Cb -0.09 -2.51 1.74 0.00 1.07 0.00 0.00 42.92 43.13 1lm0 s ASP 74 CO 0.02 -1.17 2.12 1.55 1.18 0.00 0.00 175.17 178.87 1lm0 h PRO 75 N -0.02 0.00 -0.99 8.23 0.13 -2.02 0.67 132.00 138.01 1lm0 h PRO 75 Ca -0.45 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.92 1lm0 h PRO 75 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1lm0 h PRO 75 CO 0.58 0.00 0.65 -0.91 -0.23 0.00 0.00 178.00 178.10 1lm0 h ASN 76 N 0.00 0.39 -0.38 1.44 2.35 -1.92 -3.46 115.58 114.00 1lm0 h ASN 76 Ca 0.00 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1lm0 h ASN 76 Cb 0.32 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 1lm0 h ASN 76 CO 0.00 0.11 -0.15 -1.20 -1.65 0.00 0.00 177.43 174.54 1lm0 n SER 77 N -4.54 -4.16 0.00 5.81 7.64 0.23 -4.82 113.62 113.77 1lm0 n SER 77 Ca 0.23 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1lm0 n SER 77 Cb 0.83 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 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 -0.90 1.15 -4.72 -3.43 -0.00 -1.26 -4.70 117.00 103.14 1lm0 n LEU 78 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.51 1lm0 n LEU 78 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.68 1lm0 n LEU 78 CO 0.12 0.15 0.73 -1.00 -0.00 0.00 0.00 177.39 177.39 1lm0 s HIS 79 N -1.93 3.65 -0.03 1.47 3.76 -1.26 -2.13 115.29 118.82 1lm0 s HIS 79 Ca 0.00 1.64 -0.10 0.00 -0.15 0.00 0.00 55.06 56.45 1lm0 s HIS 79 Cb 0.00 -3.18 0.01 0.00 1.11 0.00 0.00 32.58 30.53 1lm0 s HIS 79 CO 0.00 -0.26 0.23 0.14 -0.85 0.00 0.00 174.74 174.00 1lm0 s VAL 80 N 0.66 0.05 0.07 -0.90 -7.23 0.13 -0.57 120.40 112.61 1lm0 s VAL 80 Ca 0.52 -0.44 -0.13 0.00 -1.81 0.00 0.00 61.98 60.12 1lm0 s VAL 80 Cb -0.24 -0.48 0.02 0.00 0.56 0.00 0.00 36.38 36.24 1lm0 s VAL 80 CO 0.29 -0.24 0.29 0.00 -0.31 0.00 0.00 175.10 175.13 1lm0 s GLN 81 N -0.99 0.85 0.14 4.82 -2.07 0.16 -0.36 119.66 122.21 1lm0 s GLN 81 Ca -0.11 -0.64 -0.16 0.00 -1.82 0.00 0.00 55.36 52.63 1lm0 s GLN 81 Cb -0.05 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.26 1lm0 s GLN 81 CO 0.02 -0.28 0.43 -0.59 -1.32 0.00 0.00 175.29 173.55 1lm0 s PHE 82 N -3.03 -0.18 -0.10 9.60 -0.12 -0.18 -1.37 117.98 122.59 1lm0 s PHE 82 Ca -0.02 -0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.70 1lm0 s PHE 82 Cb 0.01 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 1lm0 s PHE 82 CO -0.06 -0.75 0.02 0.00 -0.05 0.00 0.00 175.22 174.38 1lm0 s ALA 83 N -3.82 3.35 0.01 1.99 0.00 -1.15 -0.44 121.76 121.70 1lm0 s ALA 83 Ca 0.04 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.30 1lm0 s ALA 83 Cb 0.01 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1lm0 s ALA 83 CO -0.10 0.54 -0.25 0.08 0.00 0.00 0.00 175.76 176.03 1lm0 s VAL 84 N -0.74 1.97 0.20 0.00 1.01 0.04 -3.74 120.40 119.14 1lm0 s VAL 84 Ca 0.12 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1lm0 s VAL 84 Cb -0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1lm0 s VAL 84 CO 0.02 0.45 0.23 0.00 0.00 0.00 0.00 175.10 175.80 1lm0 n HIS 85 N 2.17 -0.74 -4.28 5.22 1.44 -0.77 -0.63 115.22 117.64 1lm0 n HIS 85 Ca -0.16 -1.53 -0.19 0.00 -2.01 0.00 0.00 57.72 53.82 1lm0 n HIS 85 Cb 0.52 0.25 -0.08 0.00 0.12 0.00 0.00 29.99 30.79 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 -2.33 1.65 0.56 4.39 -1.08 -1.18 -1.57 116.67 117.10 1lm0 s ASP 86 Ca 0.21 -1.75 0.35 0.00 -0.52 0.00 0.00 52.55 50.83 1lm0 s ASP 86 Cb 0.00 0.56 1.49 0.00 -1.46 0.00 0.00 42.92 43.52 1lm0 s ASP 86 CO 0.15 -1.07 1.78 0.77 0.52 0.00 0.00 175.17 177.32 1lm0 h SER 87 N 2.14 0.00 0.22 -0.34 4.64 -1.96 0.62 113.55 118.86 1lm0 h SER 87 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1lm0 h SER 87 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1lm0 h SER 87 CO 0.36 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.50 1lm0 n LEU 88 N -4.02 0.00 0.00 5.97 4.77 -1.26 -4.89 117.00 117.57 1lm0 n LEU 88 Ca 0.22 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1lm0 n LEU 88 Cb 1.16 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1lm0 n LEU 88 CO 0.37 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1lm0 n GLY 89 N -0.22 2.74 3.75 -0.72 0.00 0.21 -5.01 105.19 105.94 1lm0 n GLY 89 Ca 0.06 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.88 2.39 0.12 -0.02 0.00 -1.26 -4.80 107.32 102.88 1lm0 s GLY 90 Ca 0.00 1.44 0.09 0.00 0.00 0.00 0.00 44.72 46.26 1lm0 s GLY 90 CO 0.00 2.34 -0.23 1.85 0.00 0.00 0.00 173.10 177.07 1lm0 s GLU 91 N -0.79 1.24 -0.03 2.90 -6.30 -1.26 -3.11 118.70 111.35 1lm0 s GLU 91 Ca 0.59 -1.26 -0.09 0.00 -2.50 0.00 0.00 54.97 51.71 1lm0 s GLU 91 Cb -0.44 -1.55 0.01 0.00 0.00 0.00 0.00 34.13 32.15 1lm0 s GLU 91 CO 0.49 0.36 0.21 -1.50 0.02 0.00 0.00 175.26 174.83 1lm0 s ILE 92 N -1.25 0.05 -0.00 -3.70 1.10 0.20 -4.76 121.20 112.83 1lm0 s ILE 92 Ca 0.10 -0.40 -0.18 0.00 -0.51 0.00 0.00 60.65 59.67 1lm0 s ILE 92 Cb -0.09 -0.43 -0.06 0.00 0.15 0.00 0.00 42.46 42.03 1lm0 s ILE 92 CO 0.05 -0.22 0.50 -0.76 -2.11 0.00 0.00 174.94 172.41 1lm0 s LEU 93 N -0.83 4.44 -0.07 8.50 1.43 -1.26 -0.78 118.68 130.10 1lm0 s LEU 93 Ca -0.09 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 1lm0 s LEU 93 Cb -0.05 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1lm0 s LEU 93 CO 0.02 0.21 -0.14 -0.69 0.23 0.00 0.00 176.35 175.98 1lm0 s VAL 94 N -0.62 1.29 0.01 -1.59 1.01 0.42 -2.43 120.40 118.48 1lm0 s VAL 94 Ca 0.27 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1lm0 s VAL 94 Cb -0.17 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1lm0 s VAL 94 CO 0.15 0.39 0.00 0.42 0.00 0.00 0.00 175.10 176.06 1lm0 s THR 95 N 0.66 4.14 -0.03 3.92 -4.23 0.39 -1.01 115.64 119.47 1lm0 s THR 95 Ca -0.14 -0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1lm0 s THR 95 Cb -0.16 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1lm0 s THR 95 CO 0.04 0.35 0.02 -0.47 -0.54 0.00 0.00 174.62 174.02 1lm0 s TYR 96 N -1.11 0.21 -0.59 3.99 6.14 0.51 -0.86 117.35 125.64 1lm0 s TYR 96 Ca 0.20 0.08 0.01 0.00 0.64 0.00 0.00 57.07 58.00 1lm0 s TYR 96 Cb -0.12 -0.41 0.42 0.00 0.42 0.00 0.00 41.96 42.27 1lm0 s TYR 96 CO 0.11 -0.15 1.67 -0.40 0.64 0.00 0.00 175.55 177.42 1lm0 n ASP 97 N 4.49 6.46 -3.65 4.32 5.75 -1.26 -0.70 116.55 131.97 1lm0 n ASP 97 Ca -0.20 -3.78 -0.01 0.00 -0.01 0.00 0.00 54.79 50.79 1lm0 n ASP 97 Cb 0.50 -0.76 -0.00 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.36 -0.09 0.29 -1.12 -1.08 -0.90 -4.79 116.67 106.62 1lm0 s ASP 98 Ca 0.55 -0.34 -0.29 0.00 -0.52 0.00 0.00 52.55 51.95 1lm0 s ASP 98 Cb 0.45 0.35 -0.10 0.00 -1.46 0.00 0.00 42.92 42.16 1lm0 s ASP 98 CO -0.14 -0.66 1.36 -0.76 0.52 0.00 0.00 175.17 175.48 1lm0 s LEU 99 N -3.08 4.41 0.66 -1.34 1.02 -1.22 -4.57 118.68 114.55 1lm0 s LEU 99 Ca 0.16 2.66 -0.12 0.00 0.02 0.00 0.00 54.13 56.85 1lm0 s LEU 99 Cb 0.01 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.57 1lm0 s LEU 99 CO 0.00 -0.60 1.05 -0.76 0.02 0.00 0.00 176.35 176.06 1lm0 s LEU 100 N -1.12 3.23 0.00 1.79 1.43 -1.26 -5.05 118.68 117.69 1lm0 s LEU 100 Ca 0.53 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1lm0 s LEU 100 Cb -0.40 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.32 1lm0 s LEU 100 CO 0.48 -1.24 0.07 -0.81 0.23 0.00 0.00 176.35 175.08 1lm0 n PRO 101 N -2.82 0.00 0.00 1.29 -0.04 -1.26 -4.06 135.00 128.11 1lm0 n PRO 101 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1lm0 n PRO 101 Cb 0.54 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.09 1.67 0.00 3.54 9.92 -1.26 -4.74 116.55 125.60 1lm0 n ASP 102 Ca 0.00 -1.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1lm0 n ASP 102 Cb 0.00 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 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 0.68 0.53 -2.71 0.64 -0.00 -1.26 -2.49 117.00 112.41 1lm0 n LEU 103 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1lm0 n LEU 103 Cb 0.28 -0.93 -0.02 0.00 -0.00 0.00 0.00 43.42 42.75 1lm0 n LEU 103 CO 0.00 -0.31 -0.56 0.33 -0.00 0.00 0.00 177.39 176.85 1lm0 n PHE 104 N -0.68 -3.95 -1.98 1.47 7.35 -1.26 -4.94 117.46 113.46 1lm0 n PHE 104 Ca 0.00 1.99 -0.32 0.00 -0.76 0.00 0.00 57.45 58.36 1lm0 n PHE 104 Cb 0.04 -3.80 0.01 0.00 0.35 0.00 0.00 39.48 36.08 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 -1.21 3.50 -0.24 -4.13 0.52 -1.04 -4.98 118.95 111.37 1lm0 s ARG 105 Ca -0.11 0.94 -0.25 0.00 -0.52 0.00 0.00 55.73 55.78 1lm0 s ARG 105 Cb 0.01 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.41 1lm0 s ARG 105 CO 0.74 -0.65 0.87 -1.21 0.02 0.00 0.00 175.30 175.07 1lm0 s GLU 106 N -4.63 4.20 -0.35 3.54 0.41 -1.26 -4.16 118.70 116.45 1lm0 s GLU 106 Ca 0.58 1.03 -0.01 0.00 -0.41 0.00 0.00 54.97 56.17 1lm0 s GLU 106 Cb -0.12 -3.64 -0.01 0.00 -1.78 0.00 0.00 34.13 28.58 1lm0 s GLU 106 CO 0.45 -0.54 0.32 0.41 -0.49 0.00 0.00 175.26 175.41 1lm0 n GLY 107 N 3.66 -0.57 2.64 -1.39 0.00 -1.26 -4.89 105.19 103.40 1lm0 n GLY 107 Ca 0.07 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.52 0.95 -0.66 1.61 10.64 -1.26 -5.02 117.38 122.12 1lm0 n GLN 108 Ca -0.01 -2.12 -0.26 0.00 -1.83 0.00 0.00 57.00 52.78 1lm0 n GLN 108 Cb 0.51 -1.22 -0.04 0.00 -0.86 0.00 0.00 30.24 28.63 1lm0 n GLN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1lm0 n GLY 109 N 0.68 0.07 3.55 2.61 0.00 -1.26 -4.84 105.19 106.00 1lm0 n GLY 109 Ca 0.10 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 1lm0 n GLY 109 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lm0 s ILE 110 N 1.20 1.93 -0.08 -0.61 -5.25 -1.01 -4.34 121.20 113.04 1lm0 s ILE 110 Ca 0.40 -2.08 0.04 0.00 -0.99 0.00 0.00 60.65 58.03 1lm0 s ILE 110 Cb -0.57 -2.80 -0.01 0.00 2.95 0.00 0.00 42.46 42.02 1lm0 s ILE 110 CO 0.31 -0.10 -0.20 0.68 -1.79 0.00 0.00 174.94 173.84 1lm0 s VAL 111 N -2.79 2.45 -0.04 8.37 -7.23 -1.16 -2.97 120.40 117.03 1lm0 s VAL 111 Ca 0.34 -0.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1lm0 s VAL 111 Cb 0.07 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1lm0 s VAL 111 CO 0.17 0.56 -0.22 0.00 -0.31 0.00 0.00 175.10 175.30 1lm0 s ALA 112 N -0.10 1.87 0.05 1.32 0.00 0.34 -0.74 121.76 124.52 1lm0 s ALA 112 Ca -0.04 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.11 1lm0 s ALA 112 Cb -0.14 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1lm0 s ALA 112 CO 0.04 0.37 -0.26 -0.65 0.00 0.00 0.00 175.76 175.27 1lm0 s GLN 113 N -0.16 1.77 0.00 0.00 -0.21 0.10 -0.27 119.66 120.90 1lm0 s GLN 113 Ca -0.01 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.24 1lm0 s GLN 113 Cb -0.12 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1lm0 s GLN 113 CO 0.02 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.11 1lm0 n GLY 114 N 1.68 -0.54 3.14 3.09 0.00 -0.67 -2.32 105.19 109.57 1lm0 n GLY 114 Ca -0.17 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 1.42 0.48 1.61 0.11 0.37 -1.22 120.40 119.17 1lm0 s VAL 115 Ca 0.00 -0.73 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 1lm0 s VAL 115 Cb 0.00 -1.21 -0.08 0.00 -1.53 0.00 0.00 36.38 33.56 1lm0 s VAL 115 CO 0.00 0.41 0.94 -0.76 -3.33 0.00 0.00 175.10 172.36 1lm0 s LEU 116 N -0.08 3.73 0.00 2.54 1.02 -0.08 -0.61 118.68 125.20 1lm0 s LEU 116 Ca -0.01 1.53 0.00 0.00 0.02 0.00 0.00 54.13 55.67 1lm0 s LEU 116 Cb -0.10 -4.44 0.00 0.00 0.02 0.00 0.00 46.19 41.66 1lm0 s LEU 116 CO 0.01 -0.51 0.00 0.61 0.02 0.00 0.00 176.35 176.49 1lm0 n GLY 117 N -1.31 -0.20 3.70 -3.19 0.00 -1.24 0.10 105.19 103.05 1lm0 n GLY 117 Ca 0.06 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1lm0 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm0 s GLU 118 N -1.77 1.46 -1.52 1.61 2.02 -1.16 -4.75 118.70 114.60 1lm0 s GLU 118 Ca 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 54.97 56.42 1lm0 s GLU 118 Cb 0.00 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 1lm0 s GLU 118 CO 0.00 -2.30 2.60 -3.47 0.02 0.00 0.00 175.26 172.11 1lm0 n ASP 119 N -3.78 6.83 0.00 -0.19 2.03 -1.26 -3.23 116.55 116.95 1lm0 n ASP 119 Ca 0.12 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.68 1lm0 n ASP 119 Cb 0.52 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 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 3.54 1.72 3.16 0.27 0.00 -1.26 -5.09 105.19 107.53 1lm0 n GLY 120 Ca 0.66 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.04 0.80 -0.02 1.61 3.01 -1.20 -4.60 119.74 119.29 1lm0 s LYS 121 Ca 0.00 -1.16 0.05 0.00 -1.01 0.00 0.00 55.97 53.85 1lm0 s LYS 121 Cb 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 37.83 36.40 1lm0 s LYS 121 CO 0.00 0.05 -0.15 -0.51 0.51 0.00 0.00 175.35 175.24 1lm0 s LEU 122 N -2.52 2.70 -0.47 3.17 1.43 -1.02 -2.99 118.68 118.99 1lm0 s LEU 122 Ca 0.05 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1lm0 s LEU 122 Cb -0.01 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.73 1lm0 s LEU 122 CO -0.01 0.32 0.38 0.00 0.23 0.00 0.00 176.35 177.27 1lm0 s ALA 123 N -0.79 3.52 -0.14 4.21 0.00 0.22 -0.46 121.76 128.32 1lm0 s ALA 123 Ca 0.13 -2.17 -0.00 0.00 0.00 0.00 0.00 51.96 49.91 1lm0 s ALA 123 Cb -0.11 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1lm0 s ALA 123 CO 0.02 -1.75 -0.07 0.00 0.00 0.00 0.00 175.76 173.96 1lm0 s ALA 124 N 1.60 1.47 -0.79 0.00 0.00 -0.04 -0.48 121.76 123.52 1lm0 s ALA 124 Ca 0.04 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.37 1lm0 s ALA 124 Cb -0.25 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1lm0 s ALA 124 CO 0.05 -0.60 0.57 -2.37 0.00 0.00 0.00 175.76 173.42 1lm0 n THR 125 N 4.89 0.00 -3.31 0.00 5.66 -1.17 -4.05 114.28 116.29 1lm0 n THR 125 Ca -0.13 -0.34 -0.47 0.00 -3.05 0.00 0.00 64.05 60.06 1lm0 n THR 125 Cb 0.49 1.08 -0.02 0.00 -1.55 0.00 0.00 70.33 70.33 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 -1.60 3.63 -0.13 1.09 2.02 -0.98 -4.99 118.70 117.74 1lm0 s GLU 126 Ca 0.07 -2.47 -0.04 0.00 0.02 0.00 0.00 54.97 52.55 1lm0 s GLU 126 Cb 0.08 -4.46 -0.03 0.00 0.10 0.00 0.00 34.13 29.82 1lm0 s GLU 126 CO 0.32 -1.31 0.00 0.14 0.02 0.00 0.00 175.26 174.43 1lm0 s VAL 127 N 0.20 4.30 -0.29 2.63 -7.23 -1.26 0.02 120.40 118.76 1lm0 s VAL 127 Ca 0.19 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1lm0 s VAL 127 Cb -0.10 -2.87 0.08 0.00 0.56 0.00 0.00 36.38 34.06 1lm0 s VAL 127 CO -0.09 0.53 0.00 -0.76 -0.31 0.00 0.00 175.10 174.47 1lm0 s LEU 128 N -0.13 3.58 -1.60 1.32 2.01 0.09 -4.90 118.68 119.04 1lm0 s LEU 128 Ca 0.05 -1.70 -0.10 0.00 0.01 0.00 0.00 54.13 52.39 1lm0 s LEU 128 Cb -0.13 -1.38 -0.09 0.00 0.01 0.00 0.00 46.19 44.61 1lm0 s LEU 128 CO 0.02 -0.32 2.96 0.00 1.01 0.00 0.00 176.35 180.02 1lm0 n ALA 129 N 4.48 7.55 0.21 4.21 0.00 -1.26 -2.97 120.51 132.73 1lm0 n ALA 129 Ca -0.04 -3.53 0.09 0.00 0.00 0.00 0.00 53.44 49.96 1lm0 n ALA 129 Cb 0.43 -3.35 0.40 0.00 0.00 0.00 0.00 19.45 16.93 1lm0 n ALA 129 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1lm0 h LYS 130 N 4.96 0.00 -2.71 0.00 2.10 -1.94 -3.34 116.57 115.65 1lm0 h LYS 130 Ca 0.87 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.99 1lm0 h LYS 130 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1lm0 h LYS 130 CO 1.76 0.26 2.60 0.72 -2.00 0.00 0.00 179.45 182.80 1lm0 n HIS 131 N -3.40 1.69 0.44 0.07 8.25 -1.26 -5.17 115.22 115.84 1lm0 n HIS 131 Ca 0.00 -2.61 0.04 0.00 -0.26 0.00 0.00 57.72 54.88 1lm0 n HIS 131 Cb 0.47 -2.22 0.21 0.00 1.12 0.00 0.00 29.99 29.56 1lm0 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51