#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 5.12 0.34 -3.46 4.22 -1.26 -5.15 114.94 114.76 1lm0 s ASN 33 Ca 0.00 -0.46 0.05 0.00 -2.14 0.00 0.00 52.86 50.31 1lm0 s ASN 33 Cb 0.00 -0.27 -0.03 0.00 1.28 0.00 0.00 41.25 42.23 1lm0 s ASN 33 CO 0.00 -1.26 0.20 -1.48 -2.04 0.00 0.00 177.10 172.53 1lm0 s LEU 34 N -4.70 1.78 0.11 3.54 -0.00 -1.26 -5.16 118.68 112.99 1lm0 s LEU 34 Ca 0.60 -1.68 -0.25 0.00 -0.00 0.00 0.00 54.13 52.80 1lm0 s LEU 34 Cb -0.08 0.28 0.07 0.00 -0.00 0.00 0.00 46.19 46.46 1lm0 s LEU 34 CO 0.38 -0.98 0.61 0.54 -0.00 0.00 0.00 176.35 176.90 1lm0 s ASN 35 N -3.44 -0.58 0.26 1.48 2.20 -1.26 -4.29 114.94 109.31 1lm0 s ASN 35 Ca 0.34 0.16 -0.22 0.00 -0.94 0.00 0.00 52.86 52.20 1lm0 s ASN 35 Cb 0.03 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.89 1lm0 s ASN 35 CO 0.21 -0.88 0.75 -1.48 -2.94 0.00 0.00 177.10 172.76 1lm0 s LEU 36 N -2.39 -0.26 0.18 3.54 2.34 -1.26 -4.99 118.68 115.85 1lm0 s LEU 36 Ca -0.02 -0.56 -0.26 0.00 0.06 0.00 0.00 54.13 53.35 1lm0 s LEU 36 Cb -0.01 2.64 -0.08 0.00 -0.56 0.00 0.00 46.19 48.18 1lm0 s LEU 36 CO -0.08 -1.27 0.82 -0.36 -1.06 0.00 0.00 176.35 174.40 1lm0 s PHE 37 N -3.82 3.93 0.08 3.48 0.08 -1.26 -0.27 117.98 120.20 1lm0 s PHE 37 Ca 0.11 1.71 -0.06 0.00 0.12 0.00 0.00 56.93 58.80 1lm0 s PHE 37 Cb -0.05 -2.82 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 1lm0 s PHE 37 CO 0.06 0.50 0.12 0.71 -0.10 0.00 0.00 175.22 176.51 1lm0 s TYR 38 N -1.16 0.28 0.03 0.36 2.02 0.74 -4.90 117.35 114.72 1lm0 s TYR 38 Ca 0.37 -0.75 -0.24 0.00 -0.37 0.00 0.00 57.07 56.09 1lm0 s TYR 38 Cb -0.24 -0.17 -0.05 0.00 -0.40 0.00 0.00 41.96 41.10 1lm0 s TYR 38 CO 0.28 -0.49 0.72 0.95 -1.57 0.00 0.00 175.55 175.43 1lm0 s THR 39 N -3.88 4.78 0.22 -0.71 -4.23 -1.26 -0.62 115.64 109.93 1lm0 s THR 39 Ca 0.06 1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 62.00 1lm0 s THR 39 Cb 0.06 -4.06 0.16 0.00 1.34 0.00 0.00 72.50 70.00 1lm0 s THR 39 CO -0.10 0.38 1.82 1.55 -0.54 0.00 0.00 174.62 177.72 1lm0 h PRO 40 N 5.66 0.73 -0.43 3.99 0.13 -1.89 -2.17 132.00 138.02 1lm0 h PRO 40 Ca -0.44 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1lm0 h PRO 40 Cb 1.20 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1lm0 h PRO 40 CO 0.71 0.48 0.28 0.66 -0.23 0.00 0.00 178.00 179.90 1lm0 h SER 41 N 0.75 0.49 0.22 1.44 4.64 -1.85 -2.04 113.55 117.21 1lm0 h SER 41 Ca 0.32 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1lm0 h SER 41 Cb 0.18 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1lm0 h SER 41 CO -0.18 0.35 -0.29 -0.08 -0.87 0.00 0.00 176.83 175.76 1lm0 h GLU 42 N 0.57 -0.55 0.00 4.77 4.57 -1.74 -2.83 114.58 119.38 1lm0 h GLU 42 Ca 0.16 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1lm0 h GLU 42 Cb -0.06 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1lm0 h GLU 42 CO -0.03 -0.36 0.00 0.44 -1.18 0.00 0.00 179.01 177.87 1lm0 n ILE 43 N -5.40 0.89 0.01 2.32 -5.35 -0.79 -1.48 119.36 109.57 1lm0 n ILE 43 Ca -0.08 0.42 -0.09 0.00 -0.27 0.00 0.00 62.75 62.73 1lm0 n ILE 43 Cb 0.31 -1.38 -0.07 0.00 -1.74 0.00 0.00 39.64 36.76 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1lm0 h VAL 44 N 0.00 0.83 0.00 7.28 2.07 -1.29 0.63 116.25 125.77 1lm0 h VAL 44 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1lm0 h VAL 44 Cb 0.23 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1lm0 h VAL 44 CO 0.00 0.25 0.00 0.59 0.02 0.00 0.00 177.57 178.43 1lm0 n ASN 45 N -4.84 0.00 -2.89 0.57 3.02 -0.55 -4.05 115.26 106.52 1lm0 n ASN 45 Ca -0.07 0.93 -0.12 0.00 -0.03 0.00 0.00 54.58 55.29 1lm0 n ASN 45 Cb 0.25 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.94 2.17 0.00 7.41 0.00 -1.24 -4.67 105.19 107.92 1lm0 n GLY 46 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.08 0.00 0.17 1.61 4.01 -1.26 -4.50 118.16 118.27 1lm0 n LYS 47 Ca 0.13 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.86 1lm0 n LYS 47 Cb 0.74 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.22 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1lm0 h THR 48 N 0.00 0.00 -1.00 -0.18 2.02 -1.60 0.11 112.91 112.27 1lm0 h THR 48 Ca 0.00 -0.62 0.09 0.00 0.77 0.00 0.00 66.41 66.64 1lm0 h THR 48 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1lm0 h THR 48 CO 0.00 0.00 0.64 -0.78 0.37 0.00 0.00 175.52 175.75 1lm0 h ASP 49 N -1.13 0.99 0.87 4.18 3.58 -1.10 0.35 116.42 124.15 1lm0 h ASP 49 Ca -0.05 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 1lm0 h ASP 49 Cb 0.39 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1lm0 h ASP 49 CO 0.09 0.59 -0.28 0.74 -2.88 0.00 0.00 179.24 177.50 1lm0 h THR 50 N 1.10 0.68 -5.48 2.25 2.02 -1.70 -3.47 112.91 108.32 1lm0 h THR 50 Ca 0.45 -1.25 -0.36 0.00 0.77 0.00 0.00 66.41 66.03 1lm0 h THR 50 Cb 0.29 1.81 0.13 0.00 -1.74 0.00 0.00 68.15 68.64 1lm0 h THR 50 CO -0.21 0.27 -0.64 0.61 0.37 0.00 0.00 175.52 175.92 1lm0 n GLY 51 N 0.14 -0.42 0.24 2.16 0.00 0.12 -4.93 105.19 102.51 1lm0 n GLY 51 Ca -0.00 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.70 1.38 -0.04 1.61 0.24 -0.10 -4.92 118.33 111.81 1lm0 n VAL 52 Ca -0.03 -0.16 -0.03 0.00 -2.04 0.00 0.00 64.34 62.08 1lm0 n VAL 52 Cb 0.57 -1.98 -0.01 0.00 -1.47 0.00 0.00 33.84 30.95 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 -4.18 0.22 -2.69 7.34 4.76 -1.25 -4.91 118.16 117.46 1lm0 n LYS 53 Ca -0.35 0.28 -0.40 0.00 -2.87 0.00 0.00 58.31 54.96 1lm0 n LYS 53 Cb 0.70 -1.09 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 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 -1.68 4.76 0.52 1.97 0.04 -1.26 -5.07 135.00 134.27 1lm0 s PRO 54 Ca -0.09 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.44 1lm0 s PRO 54 Cb 0.01 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1lm0 s PRO 54 CO 0.14 0.41 0.82 -1.83 0.04 0.00 0.00 177.00 176.57 1lm0 s GLU 55 N -1.36 3.30 1.05 4.56 -1.05 -1.26 -4.68 118.70 119.26 1lm0 s GLU 55 Ca 0.43 0.08 -0.13 0.00 -0.15 0.00 0.00 54.97 55.21 1lm0 s GLU 55 Cb -0.26 -2.35 0.22 0.00 -0.44 0.00 0.00 34.13 31.29 1lm0 s GLU 55 CO 0.33 -0.38 1.08 0.00 0.95 0.00 0.00 175.26 177.24 1lm0 s ALA 56 N -2.81 0.54 -1.42 -0.84 0.00 -1.26 -4.04 121.76 111.93 1lm0 s ALA 56 Ca 0.50 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1lm0 s ALA 56 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1lm0 s ALA 56 CO 0.44 -3.14 0.00 0.41 0.00 0.00 0.00 175.76 173.47 1lm0 n GLY 57 N -0.66 1.00 3.93 0.00 0.00 -1.25 -5.00 105.19 103.21 1lm0 n GLY 57 Ca 0.05 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.62 3.13 -0.16 1.61 -0.21 -1.26 -4.87 119.66 114.28 1lm0 s GLN 58 Ca 0.00 -0.98 -0.09 0.00 0.02 0.00 0.00 55.36 54.31 1lm0 s GLN 58 Cb 0.00 -2.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1lm0 s GLN 58 CO 0.00 0.27 0.15 1.03 -2.12 0.00 0.00 175.29 174.62 1lm0 s ARG 59 N -4.01 3.87 0.30 2.91 0.52 -1.26 -0.70 118.95 120.58 1lm0 s ARG 59 Ca 0.38 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1lm0 s ARG 59 Cb -0.08 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 1lm0 s ARG 59 CO 0.28 0.51 0.32 0.96 0.02 0.00 0.00 175.30 177.39 1lm0 s ILE 60 N -0.25 0.00 -0.13 1.52 -4.36 -1.22 -4.18 121.20 112.58 1lm0 s ILE 60 Ca 0.12 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1lm0 s ILE 60 Cb -0.12 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1lm0 s ILE 60 CO 0.01 0.00 -0.17 -0.13 0.24 0.00 0.00 174.94 174.89 1lm0 s ARG 61 N -3.53 2.50 -0.10 0.37 0.52 0.63 -2.79 118.95 116.56 1lm0 s ARG 61 Ca 0.36 -0.66 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 1lm0 s ARG 61 Cb 0.02 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1lm0 s ARG 61 CO 0.20 -0.11 0.60 0.14 0.02 0.00 0.00 175.30 176.15 1lm0 s VAL 62 N 1.10 5.11 -0.08 3.52 -7.23 0.64 -0.18 120.40 123.28 1lm0 s VAL 62 Ca -0.03 1.21 0.02 0.00 -1.81 0.00 0.00 61.98 61.37 1lm0 s VAL 62 Cb -0.14 -3.94 0.01 0.00 0.56 0.00 0.00 36.38 32.88 1lm0 s VAL 62 CO -0.05 0.27 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.06 1lm0 s GLY 63 N 0.76 0.83 -0.00 2.32 0.00 0.21 -0.35 107.32 111.08 1lm0 s GLY 63 Ca 0.32 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 1lm0 s GLY 63 CO 0.14 0.22 0.10 0.61 0.00 0.00 0.00 173.10 174.16 1lm0 n GLY 64 N 4.00 0.55 3.63 0.20 0.00 -1.08 -4.09 105.19 108.40 1lm0 n GLY 64 Ca -0.21 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 4.02 -0.52 1.61 0.23 -0.30 -2.27 119.30 120.08 1lm0 s MET 65 Ca 0.02 -0.29 -0.28 0.00 -1.03 0.00 0.00 55.69 54.11 1lm0 s MET 65 Cb -0.00 -3.54 -0.00 0.00 -1.53 0.00 0.00 34.83 29.76 1lm0 s MET 65 CO -0.00 0.01 1.58 0.08 -2.03 0.00 0.00 175.02 174.66 1lm0 s VAL 66 N 1.21 3.64 0.17 5.16 1.01 0.61 -3.21 120.40 128.99 1lm0 s VAL 66 Ca 0.07 0.55 -0.32 0.00 0.00 0.00 0.00 61.98 62.28 1lm0 s VAL 66 Cb -0.14 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 31.91 1lm0 s VAL 66 CO 0.06 -0.94 0.96 0.41 0.00 0.00 0.00 175.10 175.59 1lm0 n THR 67 N 7.06 1.22 0.19 3.92 -1.04 -1.26 -0.68 114.28 123.69 1lm0 n THR 67 Ca 0.16 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.05 61.76 1lm0 n THR 67 Cb 0.49 -0.53 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 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 2.18 0.00 -0.86 12.58 3.04 -1.94 -3.32 116.25 127.94 1lm0 h VAL 68 Ca -0.40 0.00 -0.73 0.00 -1.01 0.00 0.00 66.70 64.57 1lm0 h VAL 68 Cb 1.38 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 30.56 1lm0 h VAL 68 CO 0.64 0.00 2.41 0.61 -1.01 0.00 0.00 177.57 180.22 1lm0 n GLY 69 N -1.35 4.17 0.00 3.17 0.00 -1.26 -4.20 105.19 105.72 1lm0 n GLY 69 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 5.58 0.00 -4.55 1.61 7.64 -1.25 -5.00 113.62 117.65 1lm0 n SER 70 Ca 0.45 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.93 1lm0 n SER 70 Cb 0.39 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 3.03 -0.15 1.43 1.75 -1.26 -3.92 119.30 119.17 1lm0 s MET 71 Ca 0.00 -0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.41 1lm0 s MET 71 Cb 0.00 -4.27 -0.02 0.00 2.84 0.00 0.00 34.83 33.38 1lm0 s MET 71 CO 0.00 -2.33 -0.07 0.14 -0.65 0.00 0.00 175.02 172.10 1lm0 s VAL 72 N 6.74 3.51 -0.01 10.11 -7.23 -0.24 -4.99 120.40 128.30 1lm0 s VAL 72 Ca 0.45 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1lm0 s VAL 72 Cb -0.09 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1lm0 s VAL 72 CO 0.16 0.50 -0.08 0.00 -0.31 0.00 0.00 175.10 175.36 1lm0 s ARG 73 N 0.49 2.54 0.65 4.82 1.70 -1.26 -0.78 118.95 127.10 1lm0 s ARG 73 Ca -0.06 -0.71 -0.14 0.00 -0.47 0.00 0.00 55.73 54.34 1lm0 s ARG 73 Cb -0.15 -2.48 -0.01 0.00 -0.57 0.00 0.00 34.95 31.75 1lm0 s ARG 73 CO 0.03 0.61 1.08 -0.51 -1.08 0.00 0.00 175.30 175.44 1lm0 s ASP 74 N -1.26 5.32 0.49 -2.89 1.11 0.13 -4.93 116.67 114.63 1lm0 s ASP 74 Ca 0.16 1.88 0.22 0.00 0.18 0.00 0.00 52.55 54.99 1lm0 s ASP 74 Cb -0.11 -2.54 1.27 0.00 1.07 0.00 0.00 42.92 42.61 1lm0 s ASP 74 CO 0.06 -1.49 2.04 1.55 1.18 0.00 0.00 175.17 178.51 1lm0 h PRO 75 N -0.00 0.00 -1.30 8.23 0.13 -2.00 0.11 132.00 137.16 1lm0 h PRO 75 Ca -0.46 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.05 1lm0 h PRO 75 Cb 1.23 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 1lm0 h PRO 75 CO 0.55 0.15 0.88 -0.91 -0.23 0.00 0.00 178.00 178.44 1lm0 h ASN 76 N 0.00 0.20 -0.32 1.44 2.35 -1.92 -3.45 115.58 113.88 1lm0 h ASN 76 Ca -0.00 0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 1lm0 h ASN 76 Cb 0.32 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1lm0 h ASN 76 CO 0.02 -0.04 -0.13 -1.20 -1.65 0.00 0.00 177.43 174.44 1lm0 n SER 77 N -4.44 -4.46 0.00 5.81 7.64 0.37 -4.79 113.62 113.75 1lm0 n SER 77 Ca 0.32 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1lm0 n SER 77 Cb 1.31 -2.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 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 -0.77 2.02 -4.77 -3.43 -0.00 -1.26 -4.73 117.00 104.05 1lm0 n LEU 78 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.55 1lm0 n LEU 78 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.69 1lm0 n LEU 78 CO 0.10 0.34 0.35 -1.00 -0.00 0.00 0.00 177.39 177.18 1lm0 s HIS 79 N -1.83 3.73 -0.00 1.47 3.76 -1.26 -1.52 115.29 119.64 1lm0 s HIS 79 Ca 0.00 1.32 -0.06 0.00 -0.15 0.00 0.00 55.06 56.17 1lm0 s HIS 79 Cb 0.00 -2.66 0.00 0.00 1.11 0.00 0.00 32.58 31.03 1lm0 s HIS 79 CO 0.00 0.38 0.12 0.14 -0.85 0.00 0.00 174.74 174.53 1lm0 s VAL 80 N -0.36 0.08 0.08 -0.90 -7.23 0.17 -0.69 120.40 111.55 1lm0 s VAL 80 Ca 0.33 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.76 1lm0 s VAL 80 Cb -0.19 -0.39 0.01 0.00 0.56 0.00 0.00 36.38 36.37 1lm0 s VAL 80 CO 0.20 -0.35 0.25 0.00 -0.31 0.00 0.00 175.10 174.89 1lm0 s GLN 81 N -1.21 0.87 -0.12 4.82 -2.07 0.04 -0.53 119.66 121.46 1lm0 s GLN 81 Ca -0.13 -0.81 -0.14 0.00 -1.82 0.00 0.00 55.36 52.46 1lm0 s GLN 81 Cb -0.07 0.37 0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1lm0 s GLN 81 CO 0.01 -0.29 0.38 -0.59 -1.32 0.00 0.00 175.29 173.48 1lm0 s PHE 82 N -3.54 -0.38 0.35 9.60 -0.12 -0.15 -1.07 117.98 122.67 1lm0 s PHE 82 Ca 0.02 0.88 -0.19 0.00 -0.05 0.00 0.00 56.93 57.59 1lm0 s PHE 82 Cb 0.03 0.14 -0.10 0.00 -0.63 0.00 0.00 43.02 42.46 1lm0 s PHE 82 CO -0.09 -0.25 0.84 0.00 -0.05 0.00 0.00 175.22 175.67 1lm0 s ALA 83 N -0.12 3.22 0.00 1.99 0.00 -1.25 -0.39 121.76 125.21 1lm0 s ALA 83 Ca -0.03 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1lm0 s ALA 83 Cb -0.03 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1lm0 s ALA 83 CO 0.01 0.24 0.21 0.54 0.00 0.00 0.00 175.76 176.77 1lm0 s VAL 84 N -1.95 0.08 0.31 0.00 0.11 0.05 -4.39 120.40 114.61 1lm0 s VAL 84 Ca 0.55 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1lm0 s VAL 84 Cb -0.12 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1lm0 s VAL 84 CO 0.17 -0.34 0.40 -1.38 -3.33 0.00 0.00 175.10 170.62 1lm0 s HIS 85 N -1.48 1.10 0.00 1.54 -3.43 -1.20 -1.15 115.29 110.67 1lm0 s HIS 85 Ca -0.13 -1.29 0.00 0.00 -0.80 0.00 0.00 55.06 52.83 1lm0 s HIS 85 Cb -0.06 -0.21 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 1lm0 s HIS 85 CO 0.02 -1.01 0.00 -3.47 -2.00 0.00 0.00 174.74 168.28 1lm0 n ASP 86 N -1.16 0.00 -4.57 7.38 2.03 -1.26 -1.15 116.55 117.82 1lm0 n ASP 86 Ca 0.02 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.95 1lm0 n ASP 86 Cb 0.62 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.00 1lm0 n ASP 86 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1lm0 s SER 87 N 1.73 6.22 0.00 1.67 0.15 -1.26 -4.85 113.70 117.37 1lm0 s SER 87 Ca 0.00 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1lm0 s SER 87 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1lm0 s SER 87 CO 0.00 -1.78 0.00 0.18 1.20 0.00 0.00 173.24 172.84 1lm0 n LEU 88 N 10.20 0.00 -1.73 3.45 7.99 -1.26 -2.88 117.00 132.77 1lm0 n LEU 88 Ca 0.41 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 56.35 1lm0 n LEU 88 Cb 0.48 0.00 0.27 0.00 -0.11 0.00 0.00 43.42 44.06 1lm0 n LEU 88 CO 0.69 0.00 0.97 0.61 -1.51 0.00 0.00 177.39 178.15 1lm0 n GLY 89 N 0.00 4.05 3.15 -0.72 0.00 -1.26 -4.91 105.19 105.50 1lm0 n GLY 89 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.46 -1.03 -0.15 -0.02 0.00 -1.14 -4.95 107.32 98.57 1lm0 s GLY 90 Ca 0.52 1.71 -0.09 0.00 0.00 0.00 0.00 44.72 46.86 1lm0 s GLY 90 CO 0.10 3.48 0.16 -0.54 0.00 0.00 0.00 173.10 176.30 1lm0 s GLU 91 N 2.86 3.83 0.02 2.90 2.02 -1.26 -3.66 118.70 125.41 1lm0 s GLU 91 Ca 0.18 -0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.08 1lm0 s GLU 91 Cb -0.13 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1lm0 s GLU 91 CO -0.22 0.54 -0.10 0.42 0.02 0.00 0.00 175.26 175.92 1lm0 s ILE 92 N -0.35 3.38 -0.25 -1.63 -1.09 -0.30 -4.89 121.20 116.06 1lm0 s ILE 92 Ca 0.12 -0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1lm0 s ILE 92 Cb -0.12 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1lm0 s ILE 92 CO 0.02 0.36 0.11 -0.76 -1.23 0.00 0.00 174.94 173.43 1lm0 s LEU 93 N -1.48 3.64 -0.13 2.97 1.43 -1.26 -0.77 118.68 123.08 1lm0 s LEU 93 Ca 0.17 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1lm0 s LEU 93 Cb -0.11 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1lm0 s LEU 93 CO 0.07 -0.02 0.07 -0.69 0.23 0.00 0.00 176.35 176.01 1lm0 s VAL 94 N 1.57 4.93 -0.02 -1.59 1.01 0.48 -3.09 120.40 123.69 1lm0 s VAL 94 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1lm0 s VAL 94 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1lm0 s VAL 94 CO 0.06 0.56 -0.12 0.42 0.00 0.00 0.00 175.10 176.02 1lm0 s THR 95 N -0.48 3.29 -0.12 3.92 -4.23 0.25 -0.97 115.64 117.30 1lm0 s THR 95 Ca 0.10 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1lm0 s THR 95 Cb -0.12 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.41 1lm0 s THR 95 CO 0.02 0.50 0.06 -0.47 -0.54 0.00 0.00 174.62 174.18 1lm0 s TYR 96 N -0.85 0.36 -0.77 3.99 6.14 0.31 -2.65 117.35 123.87 1lm0 s TYR 96 Ca 0.14 -0.20 -0.02 0.00 0.64 0.00 0.00 57.07 57.63 1lm0 s TYR 96 Cb -0.11 -0.70 0.38 0.00 0.42 0.00 0.00 41.96 41.96 1lm0 s TYR 96 CO 0.03 -0.40 1.98 -0.40 0.64 0.00 0.00 175.55 177.40 1lm0 n ASP 97 N 5.23 7.42 -3.43 4.32 5.75 -1.26 -0.66 116.55 133.92 1lm0 n ASP 97 Ca -0.06 -3.82 -0.03 0.00 -0.01 0.00 0.00 54.79 50.87 1lm0 n ASP 97 Cb 0.49 -1.00 0.01 0.00 -1.03 0.00 0.00 41.12 39.59 1lm0 n ASP 97 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1lm0 s ASP 98 N -1.45 -0.03 0.24 -1.12 -1.08 -0.57 -4.81 116.67 107.84 1lm0 s ASP 98 Ca 0.55 -0.63 -0.30 0.00 -0.52 0.00 0.00 52.55 51.66 1lm0 s ASP 98 Cb 0.46 0.51 -0.09 0.00 -1.46 0.00 0.00 42.92 42.34 1lm0 s ASP 98 CO -0.28 -1.00 1.24 -0.76 0.52 0.00 0.00 175.17 174.89 1lm0 s LEU 99 N -3.28 4.45 0.79 -1.34 1.02 -1.22 -4.45 118.68 114.65 1lm0 s LEU 99 Ca 0.19 2.39 -0.11 0.00 0.02 0.00 0.00 54.13 56.63 1lm0 s LEU 99 Cb -0.02 -3.62 0.07 0.00 0.02 0.00 0.00 46.19 42.64 1lm0 s LEU 99 CO 0.05 -0.42 1.09 -0.76 0.02 0.00 0.00 176.35 176.33 1lm0 s LEU 100 N -0.71 2.90 0.00 1.79 1.43 -1.26 -5.06 118.68 117.76 1lm0 s LEU 100 Ca 0.52 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1lm0 s LEU 100 Cb -0.35 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.45 1lm0 s LEU 100 CO 0.41 -2.13 0.00 -0.81 0.23 0.00 0.00 176.35 174.05 1lm0 n PRO 101 N -3.58 0.00 -0.92 1.29 -0.04 -1.26 -4.28 135.00 126.21 1lm0 n PRO 101 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1lm0 n PRO 101 Cb 0.53 -0.12 -0.15 0.00 -0.04 0.00 0.00 33.50 33.72 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 4.82 0.00 3.54 9.92 -1.26 -4.63 116.55 128.94 1lm0 n ASP 102 Ca 0.00 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 1lm0 n ASP 102 Cb 0.00 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.18 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 2.53 0.33 -2.42 0.64 -0.00 -1.26 -2.95 117.00 113.86 1lm0 n LEU 103 Ca 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.38 1lm0 n LEU 103 Cb 0.84 -0.64 -0.02 0.00 -0.00 0.00 0.00 43.42 43.60 1lm0 n LEU 103 CO 0.13 -0.17 -0.45 0.33 -0.00 0.00 0.00 177.39 177.23 1lm0 n PHE 104 N -1.04 -3.35 -2.70 1.47 -0.00 -1.26 -4.87 117.46 105.71 1lm0 n PHE 104 Ca 0.00 1.68 -0.42 0.00 -0.00 0.00 0.00 57.45 58.71 1lm0 n PHE 104 Cb 0.00 -3.48 -0.03 0.00 -0.00 0.00 0.00 39.48 35.97 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lm0 s ARG 105 N -1.07 4.53 0.25 -4.13 1.81 -1.15 -4.99 118.95 114.18 1lm0 s ARG 105 Ca -0.09 1.43 -0.22 0.00 -1.72 0.00 0.00 55.73 55.12 1lm0 s ARG 105 Cb 0.01 -3.47 -0.09 0.00 -0.45 0.00 0.00 34.95 30.94 1lm0 s ARG 105 CO 0.63 -0.11 0.79 -1.21 -0.68 0.00 0.00 175.30 174.72 1lm0 s GLU 106 N 1.23 4.37 -0.04 3.54 8.01 -1.26 -4.36 118.70 130.18 1lm0 s GLU 106 Ca 0.51 1.02 -0.00 0.00 0.01 0.00 0.00 54.97 56.51 1lm0 s GLU 106 Cb -0.21 -2.88 0.00 0.00 -4.31 0.00 0.00 34.13 26.73 1lm0 s GLU 106 CO 0.26 0.37 0.04 0.41 0.01 0.00 0.00 175.26 176.35 1lm0 n GLY 107 N 0.74 0.58 3.71 -1.39 0.00 0.14 -4.89 105.19 104.07 1lm0 n GLY 107 Ca -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.39 1.96 0.21 1.61 -2.07 -1.24 -5.00 119.66 110.74 1lm0 s GLN 108 Ca 0.01 -1.40 -0.19 0.00 -1.82 0.00 0.00 55.36 51.96 1lm0 s GLN 108 Cb -0.00 0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 32.39 1lm0 s GLN 108 CO 0.03 -0.88 0.70 0.20 -1.32 0.00 0.00 175.29 174.02 1lm0 s GLY 109 N -3.07 2.60 0.17 2.60 0.00 -1.26 -0.29 107.32 108.07 1lm0 s GLY 109 Ca 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 1lm0 s GLY 109 CO 0.12 0.48 0.09 -0.26 0.00 0.00 0.00 173.10 173.53 1lm0 s ILE 110 N -1.51 0.07 -0.04 0.90 -5.25 -0.96 -3.85 121.20 110.56 1lm0 s ILE 110 Ca 0.42 -1.96 0.04 0.00 -0.99 0.00 0.00 60.65 58.17 1lm0 s ILE 110 Cb -0.17 -2.28 -0.00 0.00 2.95 0.00 0.00 42.46 42.96 1lm0 s ILE 110 CO 0.21 -0.23 -0.16 0.68 -1.79 0.00 0.00 174.94 173.65 1lm0 s VAL 111 N -4.09 1.36 -0.11 8.37 -7.23 -0.49 -2.62 120.40 115.58 1lm0 s VAL 111 Ca 0.32 -0.68 -0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1lm0 s VAL 111 Cb 0.07 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.87 1lm0 s VAL 111 CO 0.07 0.39 -0.08 0.00 -0.31 0.00 0.00 175.10 175.18 1lm0 s ALA 112 N 0.03 1.32 0.05 1.32 0.00 0.53 -0.42 121.76 124.59 1lm0 s ALA 112 Ca -0.03 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1lm0 s ALA 112 Cb -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1lm0 s ALA 112 CO 0.02 -0.39 -0.14 -1.14 0.00 0.00 0.00 175.76 174.11 1lm0 s GLN 113 N 1.66 2.19 0.00 0.00 -0.44 0.37 -0.26 119.66 123.19 1lm0 s GLN 113 Ca 0.04 -0.93 0.00 0.00 -2.50 0.00 0.00 55.36 51.97 1lm0 s GLN 113 Cb -0.13 -2.29 0.00 0.00 -1.64 0.00 0.00 33.01 28.96 1lm0 s GLN 113 CO -0.08 0.55 0.00 0.41 0.50 0.00 0.00 175.29 176.67 1lm0 n GLY 114 N 1.37 -0.32 3.04 2.59 0.00 -1.12 -0.71 105.19 110.04 1lm0 n GLY 114 Ca -0.15 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.32 0.25 1.61 0.11 0.05 -3.41 120.40 119.34 1lm0 s VAL 115 Ca 0.00 -1.17 -0.31 0.00 -2.93 0.00 0.00 61.98 57.56 1lm0 s VAL 115 Cb 0.00 -0.67 -0.12 0.00 -1.53 0.00 0.00 36.38 34.06 1lm0 s VAL 115 CO 0.00 -0.56 1.66 0.18 -3.33 0.00 0.00 175.10 173.06 1lm0 n LEU 116 N 1.22 4.13 0.00 2.54 7.99 0.12 -0.31 117.00 132.69 1lm0 n LEU 116 Ca -0.21 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.89 1lm0 n LEU 116 Cb 0.56 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.29 1lm0 n LEU 116 CO 0.22 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 1lm0 n GLY 117 N 3.14 1.18 0.21 -0.72 0.00 0.11 -3.81 105.19 105.30 1lm0 n GLY 117 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.49 0.00 1.61 4.81 -1.95 -3.42 114.58 115.14 1lm0 h GLU 118 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1lm0 h GLU 118 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1lm0 h GLU 118 CO 0.00 -0.33 0.00 -3.47 -0.73 0.00 0.00 179.01 174.48 1lm0 n ASP 119 N -3.43 -0.58 -0.15 1.04 2.03 -1.26 -4.86 116.55 109.35 1lm0 n ASP 119 Ca -0.06 0.24 -0.08 0.00 0.52 0.00 0.00 54.79 55.41 1lm0 n ASP 119 Cb 0.20 0.77 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1lm0 n ASP 119 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1lm0 h GLY 120 N 0.00 0.67 -3.43 0.27 0.00 -1.90 -3.44 103.07 95.24 1lm0 h GLY 120 Ca 0.00 -0.32 -0.50 0.00 0.00 0.00 0.00 47.33 46.51 1lm0 h GLY 120 CO 0.00 0.30 0.21 0.54 0.00 0.00 0.00 176.54 177.59 1lm0 s LYS 121 N -5.78 4.41 -0.23 4.80 3.01 -1.26 -4.79 119.74 119.89 1lm0 s LYS 121 Ca -0.13 1.08 -0.07 0.00 -1.01 0.00 0.00 55.97 55.83 1lm0 s LYS 121 Cb 0.11 -2.87 -0.03 0.00 -1.01 0.00 0.00 37.83 34.02 1lm0 s LYS 121 CO 0.75 0.36 0.07 -0.51 0.51 0.00 0.00 175.35 176.53 1lm0 s LEU 122 N -1.95 3.57 -1.00 3.17 2.01 -1.18 -0.71 118.68 122.60 1lm0 s LEU 122 Ca 0.45 -0.12 -0.14 0.00 0.01 0.00 0.00 54.13 54.33 1lm0 s LEU 122 Cb -0.18 -1.94 0.20 0.00 0.01 0.00 0.00 46.19 44.27 1lm0 s LEU 122 CO 0.22 0.02 1.08 0.00 1.01 0.00 0.00 176.35 178.69 1lm0 s ALA 123 N 1.28 4.01 -0.38 4.21 0.00 0.58 -0.59 121.76 130.87 1lm0 s ALA 123 Ca 0.05 -3.29 -0.06 0.00 0.00 0.00 0.00 51.96 48.66 1lm0 s ALA 123 Cb -0.15 -3.81 0.08 0.00 0.00 0.00 0.00 23.12 19.25 1lm0 s ALA 123 CO 0.04 -2.56 0.18 0.00 0.00 0.00 0.00 175.76 173.41 1lm0 s ALA 124 N 0.85 3.13 -0.13 0.00 0.00 -1.09 -0.77 121.76 123.77 1lm0 s ALA 124 Ca 0.30 -2.14 0.18 0.00 0.00 0.00 0.00 51.96 50.30 1lm0 s ALA 124 Cb -0.07 -2.40 -0.22 0.00 0.00 0.00 0.00 23.12 20.42 1lm0 s ALA 124 CO -0.07 -1.59 0.49 -2.37 0.00 0.00 0.00 175.76 172.22 1lm0 n THR 125 N 4.76 0.97 -2.93 0.00 5.66 -0.71 -4.65 114.28 117.38 1lm0 n THR 125 Ca -0.09 -0.70 -0.44 0.00 -3.05 0.00 0.00 64.05 59.77 1lm0 n THR 125 Cb 0.43 -0.47 -0.00 0.00 -1.55 0.00 0.00 70.33 68.73 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 -2.92 4.02 -0.18 1.09 0.41 0.11 -4.94 118.70 116.29 1lm0 s GLU 126 Ca -0.06 -2.45 -0.20 0.00 -0.41 0.00 0.00 54.97 51.85 1lm0 s GLU 126 Cb 0.09 -5.06 -0.03 0.00 -1.78 0.00 0.00 34.13 27.35 1lm0 s GLU 126 CO 0.84 -1.78 0.56 0.14 -0.49 0.00 0.00 175.26 174.53 1lm0 s VAL 127 N 1.82 5.08 -0.26 2.63 -7.23 -1.26 -0.48 120.40 120.70 1lm0 s VAL 127 Ca 0.42 1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 61.64 1lm0 s VAL 127 Cb -0.03 -3.89 0.03 0.00 0.56 0.00 0.00 36.38 33.06 1lm0 s VAL 127 CO -0.01 0.18 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.15 1lm0 s LEU 128 N 1.55 3.34 -0.51 1.32 2.01 0.44 -4.92 118.68 121.92 1lm0 s LEU 128 Ca 0.27 -0.97 -0.29 0.00 0.01 0.00 0.00 54.13 53.15 1lm0 s LEU 128 Cb -0.16 -1.67 0.02 0.00 0.01 0.00 0.00 46.19 44.40 1lm0 s LEU 128 CO 0.10 -0.16 1.24 0.00 1.01 0.00 0.00 176.35 178.54 1lm0 s ALA 129 N 1.30 3.04 -0.40 4.21 0.00 -1.26 -1.39 121.76 127.26 1lm0 s ALA 129 Ca -0.01 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.49 1lm0 s ALA 129 Cb -0.17 -3.97 0.39 0.00 0.00 0.00 0.00 23.12 19.36 1lm0 s ALA 129 CO -0.04 -2.49 1.35 0.36 0.00 0.00 0.00 175.76 174.94 1lm0 n LYS 130 N 8.17 1.19 0.00 0.00 2.85 -1.26 -5.01 118.16 124.10 1lm0 n LYS 130 Ca 0.12 -1.83 0.00 0.00 -1.05 0.00 0.00 58.31 55.54 1lm0 n LYS 130 Cb 0.49 -0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1lm0 n HIS 131 N -0.55 0.00 1.56 5.58 -0.00 -1.25 -4.97 115.22 115.59 1lm0 n HIS 131 Ca -0.02 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.28 1lm0 n HIS 131 Cb 0.84 0.00 0.74 0.00 -0.12 0.00 0.00 29.99 31.45 1lm0 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33