#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 n ASN 33 N 0.00 3.47 -4.77 6.43 5.03 -1.26 -4.97 115.26 119.19 1lm0 n ASN 33 Ca 0.00 1.00 -0.39 0.00 0.87 0.00 0.00 54.58 56.06 1lm0 n ASN 33 Cb 0.00 -1.42 -0.01 0.00 -1.02 0.00 0.00 39.78 37.34 1lm0 n ASN 33 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1lm0 s LEU 34 N 3.04 4.15 -0.25 3.41 1.02 -1.26 -5.03 118.68 123.76 1lm0 s LEU 34 Ca 0.87 2.51 -0.03 0.00 0.02 0.00 0.00 54.13 57.51 1lm0 s LEU 34 Cb -0.65 -4.02 0.14 0.00 0.02 0.00 0.00 46.19 41.68 1lm0 s LEU 34 CO 0.45 -0.86 0.39 0.20 0.02 0.00 0.00 176.35 176.56 1lm0 s ASN 35 N -0.98 0.13 0.11 2.29 -0.87 -1.26 -4.62 114.94 109.74 1lm0 s ASN 35 Ca 0.59 0.27 -0.06 0.00 -1.57 0.00 0.00 52.86 52.09 1lm0 s ASN 35 Cb -0.34 1.19 -0.02 0.00 -0.02 0.00 0.00 41.25 42.06 1lm0 s ASN 35 CO 0.43 -0.30 0.14 -1.48 -2.57 0.00 0.00 177.10 173.33 1lm0 s LEU 36 N 2.57 1.58 -0.18 0.60 2.34 -1.26 -4.88 118.68 119.46 1lm0 s LEU 36 Ca 0.13 -0.88 -0.26 0.00 0.06 0.00 0.00 54.13 53.18 1lm0 s LEU 36 Cb -0.15 0.77 -0.01 0.00 -0.56 0.00 0.00 46.19 46.24 1lm0 s LEU 36 CO -0.16 -0.75 0.86 -0.36 -1.06 0.00 0.00 176.35 174.88 1lm0 s PHE 37 N -3.93 3.41 0.15 3.48 0.08 -1.25 -0.52 117.98 119.39 1lm0 s PHE 37 Ca 0.12 1.28 0.07 0.00 0.12 0.00 0.00 56.93 58.52 1lm0 s PHE 37 Cb 0.06 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1lm0 s PHE 37 CO -0.06 -0.27 -0.15 0.71 -0.10 0.00 0.00 175.22 175.35 1lm0 s TYR 38 N 2.28 1.54 0.22 0.36 2.02 0.30 -4.90 117.35 119.18 1lm0 s TYR 38 Ca 0.39 -0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 1lm0 s TYR 38 Cb -0.16 -0.78 -0.09 0.00 -0.40 0.00 0.00 41.96 40.53 1lm0 s TYR 38 CO 0.12 0.22 0.93 -0.08 -1.57 0.00 0.00 175.55 175.17 1lm0 s THR 39 N -2.34 4.12 0.39 -0.71 -1.32 -1.26 -0.46 115.64 114.06 1lm0 s THR 39 Ca 0.13 2.06 0.08 0.00 -1.21 0.00 0.00 61.69 62.75 1lm0 s THR 39 Cb -0.04 -4.32 0.29 0.00 -1.51 0.00 0.00 72.50 66.92 1lm0 s THR 39 CO 0.04 0.49 2.00 1.55 -2.21 0.00 0.00 174.62 176.49 1lm0 h PRO 40 N 4.27 0.61 -0.26 7.08 0.13 -1.90 -1.05 132.00 140.88 1lm0 h PRO 40 Ca -0.45 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1lm0 h PRO 40 Cb 1.20 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1lm0 h PRO 40 CO 0.68 0.40 0.20 1.03 -0.23 0.00 0.00 178.00 180.08 1lm0 h SER 41 N 0.63 0.00 0.44 1.44 0.87 -1.87 -2.32 113.55 112.74 1lm0 h SER 41 Ca 0.24 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1lm0 h SER 41 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1lm0 h SER 41 CO -0.07 0.00 -0.21 -0.08 -0.53 0.00 0.00 176.83 175.94 1lm0 h GLU 42 N 0.00 -0.57 -1.72 2.24 4.57 -1.56 -3.29 114.58 114.25 1lm0 h GLU 42 Ca 0.12 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1lm0 h GLU 42 Cb 0.52 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1lm0 h GLU 42 CO -0.00 -0.27 0.00 0.44 -1.18 0.00 0.00 179.01 178.00 1lm0 n ILE 43 N -5.21 1.14 0.01 2.32 -5.35 -0.88 -2.76 119.36 108.63 1lm0 n ILE 43 Ca -0.10 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1lm0 n ILE 43 Cb 0.30 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1lm0 n VAL 44 N 1.25 0.14 -2.51 7.28 0.31 -1.21 -3.79 118.33 119.79 1lm0 n VAL 44 Ca 0.00 0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 1lm0 n VAL 44 Cb 0.35 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 32.35 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1lm0 s ASN 45 N -4.96 6.20 -0.93 4.52 0.01 -1.11 -2.95 114.94 115.71 1lm0 s ASN 45 Ca 0.00 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1lm0 s ASN 45 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1lm0 s ASN 45 CO 0.00 -1.74 0.19 0.61 -1.51 0.00 0.00 177.10 174.65 1lm0 n GLY 46 N 5.29 -0.04 0.00 0.66 0.00 -1.26 -4.91 105.19 104.92 1lm0 n GLY 46 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.38 0.00 0.08 1.61 5.02 -1.18 -3.86 118.16 117.44 1lm0 n LYS 47 Ca -0.10 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 1lm0 n LYS 47 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.54 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1lm0 h THR 48 N 0.00 0.52 -0.36 -0.18 2.02 -1.66 0.50 112.91 113.73 1lm0 h THR 48 Ca 0.00 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.20 1lm0 h THR 48 Cb 0.00 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1lm0 h THR 48 CO 0.00 0.14 0.19 -0.78 0.37 0.00 0.00 175.52 175.44 1lm0 h ASP 49 N -0.97 0.30 -0.12 4.18 1.82 -1.67 -0.95 116.42 119.00 1lm0 h ASP 49 Ca -0.03 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1lm0 h ASP 49 Cb 0.45 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1lm0 h ASP 49 CO 0.05 0.22 -0.29 0.74 -1.61 0.00 0.00 179.24 178.34 1lm0 h THR 50 N 0.39 1.28 -3.68 2.25 2.02 -1.65 -3.44 112.91 110.09 1lm0 h THR 50 Ca 0.15 -1.39 -0.17 0.00 0.77 0.00 0.00 66.41 65.77 1lm0 h THR 50 Cb 0.04 1.37 0.08 0.00 -1.74 0.00 0.00 68.15 67.90 1lm0 h THR 50 CO -0.09 0.45 -0.36 0.61 0.37 0.00 0.00 175.52 176.49 1lm0 n GLY 51 N -0.22 0.09 0.62 2.16 0.00 0.17 -4.93 105.19 103.09 1lm0 n GLY 51 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1lm0 n GLY 51 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lm0 n VAL 52 N -2.80 0.00 0.12 1.61 0.24 -0.85 -4.94 118.33 111.71 1lm0 n VAL 52 Ca -0.11 0.17 -0.06 0.00 -2.04 0.00 0.00 64.34 62.31 1lm0 n VAL 52 Cb 0.57 -1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 31.76 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1lm0 h LYS 53 N 0.00 -0.35 -6.58 7.34 1.57 -1.77 -3.40 116.57 113.38 1lm0 h LYS 53 Ca 0.00 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.24 1lm0 h LYS 53 Cb 0.00 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1lm0 h LYS 53 CO 0.00 -0.23 0.88 -1.25 -0.57 0.00 0.00 179.45 178.28 1lm0 s PRO 54 N -2.76 3.80 0.59 3.15 0.04 -1.26 -5.02 135.00 133.54 1lm0 s PRO 54 Ca -0.05 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 1lm0 s PRO 54 Cb 0.01 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.65 1lm0 s PRO 54 CO 0.16 -1.25 1.29 -1.21 0.04 0.00 0.00 177.00 176.02 1lm0 s GLU 55 N 4.21 2.90 0.96 4.56 2.02 -1.26 -4.75 118.70 127.33 1lm0 s GLU 55 Ca 0.47 2.05 -0.11 0.00 0.02 0.00 0.00 54.97 57.40 1lm0 s GLU 55 Cb -0.09 -2.02 0.17 0.00 0.10 0.00 0.00 34.13 32.29 1lm0 s GLU 55 CO 0.27 -1.33 1.11 0.00 0.02 0.00 0.00 175.26 175.34 1lm0 s ALA 56 N -1.42 1.11 -0.20 5.21 0.00 -1.26 -3.70 121.76 121.50 1lm0 s ALA 56 Ca 0.77 0.32 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1lm0 s ALA 56 Cb -0.36 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1lm0 s ALA 56 CO 0.40 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.71 1lm0 n GLY 57 N 0.05 0.53 3.93 0.00 0.00 -1.26 -5.01 105.19 103.44 1lm0 n GLY 57 Ca 0.09 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.26 3.51 -0.13 1.61 -0.21 -1.24 -4.83 119.66 117.10 1lm0 s GLN 58 Ca 0.00 -0.25 -0.10 0.00 0.02 0.00 0.00 55.36 55.03 1lm0 s GLN 58 Cb 0.00 -2.65 -0.05 0.00 1.00 0.00 0.00 33.01 31.31 1lm0 s GLN 58 CO 0.00 0.15 0.20 1.03 -2.12 0.00 0.00 175.29 174.55 1lm0 s ARG 59 N -4.18 3.86 0.35 2.91 0.52 -1.26 -0.69 118.95 120.46 1lm0 s ARG 59 Ca 0.41 -0.04 -0.05 0.00 -0.52 0.00 0.00 55.73 55.53 1lm0 s ARG 59 Cb -0.10 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.08 1lm0 s ARG 59 CO 0.35 0.53 0.54 0.96 0.02 0.00 0.00 175.30 177.71 1lm0 s ILE 60 N -0.37 0.00 -0.07 1.52 -4.36 -1.06 -4.62 121.20 112.24 1lm0 s ILE 60 Ca 0.15 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 59.10 1lm0 s ILE 60 Cb -0.13 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.90 1lm0 s ILE 60 CO 0.04 0.00 -0.20 -0.13 0.24 0.00 0.00 174.94 174.89 1lm0 s ARG 61 N -2.91 2.36 0.04 0.37 0.52 0.32 -2.69 118.95 116.96 1lm0 s ARG 61 Ca 0.27 -0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1lm0 s ARG 61 Cb -0.01 -1.89 -0.06 0.00 0.52 0.00 0.00 34.95 33.51 1lm0 s ARG 61 CO 0.18 0.19 0.46 0.54 0.02 0.00 0.00 175.30 176.69 1lm0 s VAL 62 N 0.28 4.94 -0.06 3.52 0.11 0.52 -0.54 120.40 129.18 1lm0 s VAL 62 Ca -0.12 0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 59.81 1lm0 s VAL 62 Cb -0.15 -3.76 0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1lm0 s VAL 62 CO 0.05 0.53 0.11 -0.83 -3.33 0.00 0.00 175.10 171.63 1lm0 s GLY 63 N -1.19 0.07 0.00 6.54 0.00 0.39 -0.34 107.32 112.78 1lm0 s GLY 63 Ca 0.27 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1lm0 s GLY 63 CO 0.16 1.27 0.00 0.61 0.00 0.00 0.00 173.10 175.14 1lm0 n GLY 64 N 4.83 1.70 3.77 0.20 0.00 -1.20 -4.07 105.19 110.42 1lm0 n GLY 64 Ca -0.14 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.06 3.24 0.15 1.61 0.23 -0.88 -2.93 119.30 120.66 1lm0 s MET 65 Ca 0.00 -0.28 -0.07 0.00 -1.03 0.00 0.00 55.69 54.31 1lm0 s MET 65 Cb 0.00 -2.99 -0.06 0.00 -1.53 0.00 0.00 34.83 30.25 1lm0 s MET 65 CO 0.00 0.71 0.42 0.14 -2.03 0.00 0.00 175.02 174.26 1lm0 s VAL 66 N -0.88 5.10 0.28 5.16 -7.23 -0.36 -1.25 120.40 121.22 1lm0 s VAL 66 Ca 0.13 0.21 -0.19 0.00 -1.81 0.00 0.00 61.98 60.32 1lm0 s VAL 66 Cb -0.12 -3.63 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 1lm0 s VAL 66 CO 0.03 0.07 0.77 -0.89 -0.31 0.00 0.00 175.10 174.77 1lm0 s THR 67 N -1.64 4.54 0.13 5.32 2.01 -1.26 -3.78 115.64 120.96 1lm0 s THR 67 Ca 0.41 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 1lm0 s THR 67 Cb -0.12 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 1lm0 s THR 67 CO 0.22 0.06 1.58 1.62 -0.69 0.00 0.00 174.62 177.41 1lm0 h VAL 68 N 2.46 0.12 -3.00 3.82 3.04 -1.96 -3.13 116.25 117.60 1lm0 h VAL 68 Ca -0.48 0.00 -0.81 0.00 -1.01 0.00 0.00 66.70 64.41 1lm0 h VAL 68 Cb 1.19 0.12 -0.28 0.00 -2.01 0.00 0.00 31.29 30.31 1lm0 h VAL 68 CO 0.65 0.00 0.75 0.61 -1.01 0.00 0.00 177.57 178.57 1lm0 n GLY 69 N -1.44 4.99 2.69 3.17 0.00 -1.26 -4.69 105.19 108.66 1lm0 n GLY 69 Ca -0.04 -2.64 -0.07 0.00 0.00 0.00 0.00 46.02 43.27 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 1.63 -0.68 -3.79 1.61 7.64 -1.18 -5.01 113.62 113.83 1lm0 n SER 70 Ca 0.26 -2.48 -0.14 0.00 1.01 0.00 0.00 58.87 57.52 1lm0 n SER 70 Cb 0.34 0.45 -0.15 0.00 -1.01 0.00 0.00 64.21 63.84 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 -1.01 0.01 0.02 1.43 1.75 -1.26 -1.80 119.30 118.44 1lm0 s MET 71 Ca 0.22 0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.88 1lm0 s MET 71 Cb 0.42 -0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.91 1lm0 s MET 71 CO -0.05 -0.12 -0.07 0.14 -0.65 0.00 0.00 175.02 174.26 1lm0 s VAL 72 N 0.82 0.52 0.09 10.11 -7.23 0.02 -5.00 120.40 119.72 1lm0 s VAL 72 Ca -0.07 -0.61 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 1lm0 s VAL 72 Cb -0.09 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 1lm0 s VAL 72 CO -0.03 -0.08 -0.18 0.00 -0.31 0.00 0.00 175.10 174.50 1lm0 s ARG 73 N -0.76 1.00 0.55 4.82 1.70 -1.26 -0.90 118.95 124.09 1lm0 s ARG 73 Ca -0.03 -1.07 -0.16 0.00 -0.47 0.00 0.00 55.73 54.00 1lm0 s ARG 73 Cb -0.06 -1.15 -0.06 0.00 -0.57 0.00 0.00 34.95 33.12 1lm0 s ARG 73 CO 0.00 0.26 1.03 -0.51 -1.08 0.00 0.00 175.30 175.00 1lm0 s ASP 74 N -1.82 6.16 0.53 -2.89 1.11 0.10 -4.95 116.67 114.90 1lm0 s ASP 74 Ca 0.03 1.73 0.29 0.00 0.18 0.00 0.00 52.55 54.77 1lm0 s ASP 74 Cb -0.10 -2.53 1.48 0.00 1.07 0.00 0.00 42.92 42.85 1lm0 s ASP 74 CO 0.03 -0.91 2.07 1.55 1.18 0.00 0.00 175.17 179.10 1lm0 h PRO 75 N 0.71 0.00 -1.10 8.23 0.13 -2.01 0.58 132.00 138.54 1lm0 h PRO 75 Ca -0.47 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 64.98 1lm0 h PRO 75 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1lm0 h PRO 75 CO 0.59 0.11 0.86 -0.91 -0.23 0.00 0.00 178.00 178.42 1lm0 h ASN 76 N 0.00 0.00 -1.66 1.44 2.35 -1.92 -3.45 115.58 112.33 1lm0 h ASN 76 Ca -0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 1lm0 h ASN 76 Cb 0.35 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 1lm0 h ASN 76 CO 0.01 0.00 -0.36 -1.20 -1.65 0.00 0.00 177.43 174.23 1lm0 n SER 77 N -3.99 -4.82 0.00 5.81 7.64 0.19 -4.78 113.62 113.67 1lm0 n SER 77 Ca 0.24 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1lm0 n SER 77 Cb 1.22 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 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 -2.10 0.66 -4.75 -3.43 -0.00 -1.26 -4.63 117.00 101.49 1lm0 n LEU 78 Ca -0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.43 1lm0 n LEU 78 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.96 1lm0 n LEU 78 CO 0.23 -0.02 0.52 -1.00 -0.00 0.00 0.00 177.39 177.12 1lm0 s HIS 79 N -1.84 3.81 -0.07 1.47 3.76 -1.26 -0.51 115.29 120.65 1lm0 s HIS 79 Ca 0.00 1.61 -0.10 0.00 -0.15 0.00 0.00 55.06 56.42 1lm0 s HIS 79 Cb 0.00 -2.86 0.02 0.00 1.11 0.00 0.00 32.58 30.85 1lm0 s HIS 79 CO 0.00 0.34 0.25 0.14 -0.85 0.00 0.00 174.74 174.61 1lm0 s VAL 80 N -0.40 0.02 0.04 -0.90 -7.23 0.18 -0.73 120.40 111.38 1lm0 s VAL 80 Ca 0.40 -0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 60.30 1lm0 s VAL 80 Cb -0.22 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 1lm0 s VAL 80 CO 0.26 -0.11 0.11 0.00 -0.31 0.00 0.00 175.10 175.04 1lm0 s GLN 81 N -0.39 0.59 0.01 4.82 -2.07 -0.08 -0.67 119.66 121.86 1lm0 s GLN 81 Ca -0.05 -0.73 -0.12 0.00 -1.82 0.00 0.00 55.36 52.64 1lm0 s GLN 81 Cb -0.03 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.14 1lm0 s GLN 81 CO 0.01 -0.15 0.26 -0.59 -1.32 0.00 0.00 175.29 173.50 1lm0 s PHE 82 N -2.55 -0.09 -0.06 9.60 -0.12 -0.22 -0.80 117.98 123.73 1lm0 s PHE 82 Ca -0.05 0.06 -0.07 0.00 -0.05 0.00 0.00 56.93 56.81 1lm0 s PHE 82 Cb -0.01 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 1lm0 s PHE 82 CO -0.04 -0.40 0.20 0.00 -0.05 0.00 0.00 175.22 174.93 1lm0 s ALA 83 N -1.75 3.87 0.07 1.99 0.00 -0.74 -0.70 121.76 124.49 1lm0 s ALA 83 Ca -0.11 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1lm0 s ALA 83 Cb -0.04 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1lm0 s ALA 83 CO 0.01 0.63 -0.14 0.54 0.00 0.00 0.00 175.76 176.80 1lm0 s VAL 84 N -1.14 1.14 0.26 0.00 0.11 0.08 -4.12 120.40 116.73 1lm0 s VAL 84 Ca 0.21 -1.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.00 1lm0 s VAL 84 Cb -0.13 -1.09 -0.06 0.00 -1.53 0.00 0.00 36.38 33.58 1lm0 s VAL 84 CO 0.10 -0.20 0.02 -1.38 -3.33 0.00 0.00 175.10 170.32 1lm0 s HIS 85 N -1.23 1.68 0.62 1.54 -3.43 -0.38 -0.55 115.29 113.54 1lm0 s HIS 85 Ca -0.01 -0.95 0.06 0.00 -0.80 0.00 0.00 55.06 53.35 1lm0 s HIS 85 Cb -0.10 -1.01 0.09 0.00 -1.43 0.00 0.00 32.58 30.13 1lm0 s HIS 85 CO 0.02 -0.05 0.85 0.34 -2.00 0.00 0.00 174.74 173.90 1lm0 s ASP 86 N -3.36 4.87 0.28 7.38 -1.08 0.15 -2.06 116.67 122.85 1lm0 s ASP 86 Ca 0.32 -0.63 -0.03 0.00 -0.52 0.00 0.00 52.55 51.70 1lm0 s ASP 86 Cb 0.07 0.09 0.41 0.00 -1.46 0.00 0.00 42.92 42.03 1lm0 s ASP 86 CO 0.11 -1.48 1.94 0.28 0.52 0.00 0.00 175.17 176.54 1lm0 h SER 87 N -0.05 1.00 0.00 -0.34 0.02 -1.98 -3.40 113.55 108.81 1lm0 h SER 87 Ca -0.33 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1lm0 h SER 87 Cb 1.28 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1lm0 h SER 87 CO 0.41 0.71 0.00 0.18 -1.14 0.00 0.00 176.83 176.99 1lm0 n LEU 88 N -4.42 0.21 0.00 5.07 4.32 -1.26 -5.08 117.00 115.84 1lm0 n LEU 88 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1lm0 n LEU 88 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1lm0 n LEU 88 CO 0.36 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 1lm0 n GLY 89 N 2.89 0.36 5.28 -0.72 0.00 -1.26 -4.98 105.19 106.75 1lm0 n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.36 1.09 4.00 -0.02 0.00 -1.26 -0.67 105.19 112.69 1lm0 n GLY 90 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1lm0 n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lm0 n GLU 91 N 0.00 -0.49 -4.26 1.61 2.13 -1.22 -4.78 120.64 113.64 1lm0 n GLU 91 Ca 0.00 -0.05 -0.25 0.00 0.66 0.00 0.00 57.16 57.52 1lm0 n GLU 91 Cb 0.00 -1.91 -0.08 0.00 0.27 0.00 0.00 31.44 29.72 1lm0 n GLU 91 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1lm0 s ILE 92 N -3.90 3.53 -0.14 6.31 -1.09 0.29 -4.94 121.20 121.26 1lm0 s ILE 92 Ca 0.31 -1.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.08 1lm0 s ILE 92 Cb -0.18 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1lm0 s ILE 92 CO 0.77 -0.23 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.30 1lm0 s LEU 93 N -3.26 2.27 -0.10 2.97 1.43 -1.26 -0.74 118.68 119.98 1lm0 s LEU 93 Ca 0.29 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1lm0 s LEU 93 Cb -0.08 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1lm0 s LEU 93 CO 0.19 0.09 -0.14 -0.69 0.23 0.00 0.00 176.35 176.03 1lm0 s VAL 94 N 0.77 3.03 0.18 -1.59 1.01 0.12 -2.73 120.40 121.19 1lm0 s VAL 94 Ca -0.07 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1lm0 s VAL 94 Cb -0.16 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1lm0 s VAL 94 CO -0.00 0.55 0.06 0.42 0.00 0.00 0.00 175.10 176.13 1lm0 s THR 95 N -0.01 4.03 -0.19 3.92 -4.23 0.31 -1.06 115.64 118.42 1lm0 s THR 95 Ca -0.04 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1lm0 s THR 95 Cb -0.14 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 70.69 1lm0 s THR 95 CO 0.04 -0.14 0.48 -0.47 -0.54 0.00 0.00 174.62 173.99 1lm0 s TYR 96 N -1.80 -0.59 -0.38 3.99 6.14 0.15 -1.11 117.35 123.74 1lm0 s TYR 96 Ca 0.29 1.36 0.11 0.00 0.64 0.00 0.00 57.07 59.47 1lm0 s TYR 96 Cb -0.09 0.24 0.44 0.00 0.42 0.00 0.00 41.96 42.96 1lm0 s TYR 96 CO 0.21 -0.30 1.04 -0.40 0.64 0.00 0.00 175.55 176.74 1lm0 n ASP 97 N 3.28 3.25 -2.67 4.32 5.75 -1.26 -0.65 116.55 128.56 1lm0 n ASP 97 Ca -0.16 -3.26 -0.05 0.00 -0.01 0.00 0.00 54.79 51.31 1lm0 n ASP 97 Cb 0.56 -0.49 0.05 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.30 -1.42 0.00 -1.12 -0.08 -0.64 -4.80 116.55 108.20 1lm0 n ASP 98 Ca 0.26 -2.02 0.00 0.00 -1.51 0.00 0.00 54.79 51.51 1lm0 n ASP 98 Cb 0.73 1.10 0.00 0.00 2.34 0.00 0.00 41.12 45.29 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 -0.30 0.00 -3.75 -2.67 4.32 0.33 -4.90 117.00 110.04 1lm0 n LEU 99 Ca -0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.73 1lm0 n LEU 99 Cb 0.72 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.45 1lm0 n LEU 99 CO -0.09 0.00 0.03 -0.76 -1.22 0.00 0.00 177.39 175.35 1lm0 s LEU 100 N 0.00 0.89 0.00 2.23 1.43 -1.26 -4.81 118.68 117.16 1lm0 s LEU 100 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1lm0 s LEU 100 Cb 0.00 1.42 0.00 0.00 0.03 0.00 0.00 46.19 47.64 1lm0 s LEU 100 CO 0.00 -0.73 0.00 -0.81 0.23 0.00 0.00 176.35 175.04 1lm0 n PRO 101 N 0.11 0.00 -0.36 1.29 -0.04 -1.26 -4.27 135.00 130.48 1lm0 n PRO 101 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1lm0 n PRO 101 Cb 0.62 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 4.28 -1.72 3.54 9.92 -1.26 -4.71 116.55 126.61 1lm0 n ASP 102 Ca 0.00 -2.14 -0.13 0.00 -0.53 0.00 0.00 54.79 51.99 1lm0 n ASP 102 Cb 0.00 -0.88 -0.04 0.00 -0.64 0.00 0.00 41.12 39.56 1lm0 n ASP 102 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1lm0 n LEU 103 N 1.38 -1.03 -2.98 0.64 7.94 -1.26 -2.67 117.00 119.03 1lm0 n LEU 103 Ca 0.00 0.28 -0.11 0.00 -1.11 0.00 0.00 56.01 55.07 1lm0 n LEU 103 Cb 0.44 -2.05 0.01 0.00 0.53 0.00 0.00 43.42 42.35 1lm0 n LEU 103 CO 0.00 -0.51 -0.23 0.33 -1.11 0.00 0.00 177.39 175.87 1lm0 n PHE 104 N -2.36 -3.07 -2.47 1.96 7.35 -1.26 -4.84 117.46 112.76 1lm0 n PHE 104 Ca -0.14 1.29 -0.43 0.00 -0.76 0.00 0.00 57.45 57.42 1lm0 n PHE 104 Cb 0.49 -3.27 -0.02 0.00 0.35 0.00 0.00 39.48 37.02 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 -2.11 4.31 0.47 -4.13 1.81 -1.09 -4.97 118.95 113.25 1lm0 s ARG 105 Ca 0.17 1.64 -0.11 0.00 -1.72 0.00 0.00 55.73 55.71 1lm0 s ARG 105 Cb -0.04 -3.63 -0.06 0.00 -0.45 0.00 0.00 34.95 30.77 1lm0 s ARG 105 CO 0.70 -0.54 0.85 -1.21 -0.68 0.00 0.00 175.30 174.42 1lm0 s GLU 106 N 2.70 3.75 -0.21 3.54 8.01 -1.26 -4.33 118.70 130.91 1lm0 s GLU 106 Ca 0.54 0.57 -0.00 0.00 0.01 0.00 0.00 54.97 56.09 1lm0 s GLU 106 Cb -0.23 -2.29 0.00 0.00 -4.31 0.00 0.00 34.13 27.30 1lm0 s GLU 106 CO 0.18 -0.19 0.05 0.41 0.01 0.00 0.00 175.26 175.72 1lm0 n GLY 107 N -1.71 0.43 3.70 -1.39 0.00 -1.25 -4.93 105.19 100.04 1lm0 n GLY 107 Ca 0.03 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.47 2.14 0.29 1.61 -2.07 -1.26 -5.02 119.66 110.87 1lm0 s GLN 108 Ca 0.02 -1.55 -0.17 0.00 -1.82 0.00 0.00 55.36 51.84 1lm0 s GLN 108 Cb -0.01 0.57 -0.09 0.00 -1.09 0.00 0.00 33.01 32.39 1lm0 s GLN 108 CO 0.03 -0.97 0.74 0.20 -1.32 0.00 0.00 175.29 173.97 1lm0 s GLY 109 N -3.13 2.46 0.09 2.60 0.00 -1.26 -1.22 107.32 106.85 1lm0 s GLY 109 Ca 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 1lm0 s GLY 109 CO 0.15 0.39 0.02 -0.26 0.00 0.00 0.00 173.10 173.39 1lm0 s ILE 110 N -1.80 0.16 -0.05 0.90 -5.25 -1.15 -3.97 121.20 110.05 1lm0 s ILE 110 Ca 0.50 -1.84 0.05 0.00 -0.99 0.00 0.00 60.65 58.36 1lm0 s ILE 110 Cb -0.13 -1.76 -0.00 0.00 2.95 0.00 0.00 42.46 43.52 1lm0 s ILE 110 CO 0.19 -0.74 -0.18 0.68 -1.79 0.00 0.00 174.94 173.09 1lm0 s VAL 111 N -3.98 1.53 -0.12 8.37 -7.23 -0.61 -3.23 120.40 115.13 1lm0 s VAL 111 Ca 0.15 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1lm0 s VAL 111 Cb 0.08 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.71 1lm0 s VAL 111 CO -0.05 0.44 -0.19 0.00 -0.31 0.00 0.00 175.10 175.00 1lm0 s ALA 112 N 0.01 1.94 0.02 1.32 0.00 0.53 -0.33 121.76 125.25 1lm0 s ALA 112 Ca -0.04 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1lm0 s ALA 112 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1lm0 s ALA 112 CO 0.02 -0.02 -0.17 -1.14 0.00 0.00 0.00 175.76 174.45 1lm0 s GLN 113 N 0.86 2.19 0.00 0.00 -0.44 0.60 -0.35 119.66 122.52 1lm0 s GLN 113 Ca -0.08 -0.91 0.00 0.00 -2.50 0.00 0.00 55.36 51.88 1lm0 s GLN 113 Cb -0.15 -2.23 0.00 0.00 -1.64 0.00 0.00 33.01 28.99 1lm0 s GLN 113 CO -0.01 0.56 0.00 0.41 0.50 0.00 0.00 175.29 176.75 1lm0 n GLY 114 N 1.78 -0.57 3.22 2.59 0.00 -1.10 -1.78 105.19 109.34 1lm0 n GLY 114 Ca -0.16 0.03 -0.21 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 -0.56 1.38 0.44 1.61 0.11 0.35 -2.57 120.40 121.16 1lm0 s VAL 115 Ca 0.00 -1.42 -0.25 0.00 -2.93 0.00 0.00 61.98 57.39 1lm0 s VAL 115 Cb 0.00 -1.29 -0.09 0.00 -1.53 0.00 0.00 36.38 33.47 1lm0 s VAL 115 CO 0.00 -0.15 1.20 0.18 -3.33 0.00 0.00 175.10 173.00 1lm0 n LEU 116 N 1.19 3.77 0.00 2.54 7.99 0.14 -0.52 117.00 132.10 1lm0 n LEU 116 Ca -0.20 1.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.86 1lm0 n LEU 116 Cb 0.54 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.38 1lm0 n LEU 116 CO 0.22 -0.91 0.00 0.61 -1.51 0.00 0.00 177.39 175.80 1lm0 n GLY 117 N 0.92 1.01 0.13 -0.72 0.00 0.53 -4.01 105.19 103.05 1lm0 n GLY 117 Ca 0.08 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.32 -0.68 1.61 4.81 -1.96 -3.39 114.58 114.65 1lm0 h GLU 118 Ca 0.00 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1lm0 h GLU 118 Cb 0.00 0.07 -0.20 0.00 0.63 0.00 0.00 28.75 29.25 1lm0 h GLU 118 CO 0.00 -0.21 -0.23 0.34 -0.73 0.00 0.00 179.01 178.17 1lm0 s ASP 119 N -2.75 -1.10 0.00 1.04 -1.08 -1.26 -4.92 116.67 106.60 1lm0 s ASP 119 Ca -0.05 0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1lm0 s ASP 119 Cb 0.00 1.65 0.00 0.00 -1.46 0.00 0.00 42.92 43.12 1lm0 s ASP 119 CO 0.14 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.25 1lm0 n GLY 120 N 5.12 3.10 3.89 2.66 0.00 -1.25 -5.00 105.19 113.71 1lm0 n GLY 120 Ca 0.07 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 3.32 -0.01 1.61 3.01 -1.26 -4.66 119.74 121.75 1lm0 s LYS 121 Ca 0.00 0.43 0.05 0.00 -1.01 0.00 0.00 55.97 55.44 1lm0 s LYS 121 Cb 0.00 -2.17 -0.01 0.00 -1.01 0.00 0.00 37.83 34.64 1lm0 s LYS 121 CO 0.00 -0.60 -0.15 -0.51 0.51 0.00 0.00 175.35 174.60 1lm0 s LEU 122 N -5.08 2.03 -0.36 3.17 1.02 -1.11 -0.35 118.68 118.00 1lm0 s LEU 122 Ca 0.54 -0.27 -0.08 0.00 0.02 0.00 0.00 54.13 54.34 1lm0 s LEU 122 Cb -0.11 -0.77 0.04 0.00 0.02 0.00 0.00 46.19 45.38 1lm0 s LEU 122 CO 0.50 0.18 0.16 0.00 0.02 0.00 0.00 176.35 177.21 1lm0 s ALA 123 N -0.35 3.14 -0.20 4.21 0.00 0.32 -0.53 121.76 128.35 1lm0 s ALA 123 Ca 0.06 -1.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.17 1lm0 s ALA 123 Cb -0.06 -2.42 0.06 0.00 0.00 0.00 0.00 23.12 20.71 1lm0 s ALA 123 CO -0.01 -1.41 0.04 0.00 0.00 0.00 0.00 175.76 174.38 1lm0 s ALA 124 N 1.44 0.99 -0.17 0.00 0.00 -0.27 -0.50 121.76 123.25 1lm0 s ALA 124 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.32 1lm0 s ALA 124 Cb -0.20 -1.20 -0.23 0.00 0.00 0.00 0.00 23.12 21.49 1lm0 s ALA 124 CO 0.04 -1.21 0.15 -2.37 0.00 0.00 0.00 175.76 172.36 1lm0 n THR 125 N 5.06 1.52 -2.69 0.00 5.66 -0.74 -4.57 114.28 118.52 1lm0 n THR 125 Ca -0.08 -0.74 -0.42 0.00 -3.05 0.00 0.00 64.05 59.76 1lm0 n THR 125 Cb 0.47 -1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 68.19 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 -2.53 3.60 -0.22 1.09 8.01 -0.73 -4.93 118.70 122.98 1lm0 s GLU 126 Ca -0.18 -1.36 -0.13 0.00 0.01 0.00 0.00 54.97 53.31 1lm0 s GLU 126 Cb 0.07 -5.20 -0.04 0.00 -4.31 0.00 0.00 34.13 24.65 1lm0 s GLU 126 CO 0.76 -2.05 0.29 0.14 0.01 0.00 0.00 175.26 174.41 1lm0 s VAL 127 N 4.14 5.27 -0.29 2.63 -7.23 -1.26 -0.29 120.40 123.37 1lm0 s VAL 127 Ca 0.41 0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 61.04 1lm0 s VAL 127 Cb -0.02 -3.63 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1lm0 s VAL 127 CO -0.10 0.28 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.19 1lm0 s LEU 128 N 1.27 3.72 -1.39 1.32 2.01 0.56 -4.85 118.68 121.32 1lm0 s LEU 128 Ca 0.14 -1.24 -0.07 0.00 0.01 0.00 0.00 54.13 52.97 1lm0 s LEU 128 Cb -0.14 -1.68 0.07 0.00 0.01 0.00 0.00 46.19 44.45 1lm0 s LEU 128 CO 0.07 -0.23 2.46 0.00 1.01 0.00 0.00 176.35 179.66 1lm0 n ALA 129 N 4.60 6.80 0.29 4.21 0.00 -1.26 -1.58 120.51 133.56 1lm0 n ALA 129 Ca -0.14 -3.97 0.16 0.00 0.00 0.00 0.00 53.44 49.49 1lm0 n ALA 129 Cb 0.44 -2.96 0.85 0.00 0.00 0.00 0.00 19.45 17.77 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 4.86 0.00 -2.15 0.00 2.10 -1.95 -3.16 116.57 116.27 1lm0 h LYS 130 Ca 0.71 0.00 -0.74 0.00 -2.00 0.00 0.00 60.65 58.62 1lm0 h LYS 130 Cb 0.34 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 31.36 1lm0 h LYS 130 CO 1.58 0.06 0.54 0.72 -2.00 0.00 0.00 179.45 180.35 1lm0 n HIS 131 N -3.41 3.14 1.07 0.07 8.25 -1.26 -5.13 115.22 117.95 1lm0 n HIS 131 Ca -0.02 -2.87 0.09 0.00 -0.26 0.00 0.00 57.72 54.66 1lm0 n HIS 131 Cb 0.21 -0.96 0.51 0.00 1.12 0.00 0.00 29.99 30.86 1lm0 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51