#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 -0.85 -0.96 4.04 3.84 -1.26 -4.99 114.94 114.76 1lm0 s ASN 33 Ca 0.00 1.05 -0.03 0.00 0.21 0.00 0.00 52.86 54.09 1lm0 s ASN 33 Cb 0.00 1.92 -0.04 0.00 -0.55 0.00 0.00 41.25 42.58 1lm0 s ASN 33 CO 0.00 -0.16 0.82 0.18 -2.79 0.00 0.00 177.10 175.15 1lm0 n LEU 34 N 5.22 -4.65 0.00 3.21 4.77 -1.26 -5.01 117.00 119.27 1lm0 n LEU 34 Ca -0.09 -0.59 -0.04 0.00 -0.03 0.00 0.00 56.01 55.27 1lm0 n LEU 34 Cb 0.51 -2.83 -0.01 0.00 -2.33 0.00 0.00 43.42 38.76 1lm0 n LEU 34 CO -0.04 0.18 -0.01 0.59 -1.33 0.00 0.00 177.39 176.78 1lm0 n ASN 35 N -2.94 -0.17 -0.07 -1.43 5.03 -1.26 -4.87 115.26 109.54 1lm0 n ASN 35 Ca -0.13 -1.41 0.00 0.00 0.87 0.00 0.00 54.58 53.91 1lm0 n ASN 35 Cb 0.62 0.37 0.00 0.00 -1.02 0.00 0.00 39.78 39.75 1lm0 n ASN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lm0 n LEU 36 N 0.00 0.00 -4.53 3.41 -0.00 -1.26 -4.28 117.00 110.33 1lm0 n LEU 36 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.61 1lm0 n LEU 36 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.51 1lm0 n LEU 36 CO 0.06 -0.52 1.19 -0.36 -0.00 0.00 0.00 177.39 177.76 1lm0 s PHE 37 N 0.00 2.45 0.22 1.47 0.08 -1.25 -0.28 117.98 120.66 1lm0 s PHE 37 Ca 0.00 -0.41 0.08 0.00 0.12 0.00 0.00 56.93 56.72 1lm0 s PHE 37 Cb 0.00 -4.59 -0.04 0.00 -0.57 0.00 0.00 43.02 37.82 1lm0 s PHE 37 CO 0.00 -1.95 0.05 0.71 -0.10 0.00 0.00 175.22 173.93 1lm0 s TYR 38 N 5.14 2.88 0.38 0.36 2.02 0.02 -4.86 117.35 123.29 1lm0 s TYR 38 Ca 0.36 -0.14 -0.24 0.00 -0.37 0.00 0.00 57.07 56.68 1lm0 s TYR 38 Cb -0.07 -1.34 -0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1lm0 s TYR 38 CO 0.06 0.55 1.00 0.95 -1.57 0.00 0.00 175.55 176.54 1lm0 s THR 39 N -1.99 3.97 0.44 -0.71 -4.23 -1.26 -0.70 115.64 111.16 1lm0 s THR 39 Ca 0.30 1.50 0.32 0.00 -1.18 0.00 0.00 61.69 62.64 1lm0 s THR 39 Cb -0.08 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.33 1lm0 s THR 39 CO 0.21 0.00 2.14 1.55 -0.54 0.00 0.00 174.62 177.98 1lm0 h PRO 40 N 2.62 0.00 0.53 3.99 0.13 -1.88 -3.12 132.00 134.27 1lm0 h PRO 40 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1lm0 h PRO 40 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1lm0 h PRO 40 CO 0.63 0.06 -0.25 0.66 -0.23 0.00 0.00 178.00 178.87 1lm0 h SER 41 N 0.00 -0.60 -0.65 1.44 4.64 -1.90 -3.22 113.55 113.26 1lm0 h SER 41 Ca -0.00 0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.47 1lm0 h SER 41 Cb 0.26 0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 62.38 1lm0 h SER 41 CO 0.01 -0.41 -0.21 -0.08 -0.87 0.00 0.00 176.83 175.27 1lm0 h GLU 42 N -0.75 -0.05 -0.25 4.77 4.57 -1.90 0.33 114.58 121.30 1lm0 h GLU 42 Ca -0.07 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1lm0 h GLU 42 Cb 0.54 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1lm0 h GLU 42 CO 0.12 -0.03 0.19 -0.84 -1.18 0.00 0.00 179.01 177.27 1lm0 h ILE 43 N -0.05 0.78 0.00 2.32 3.07 -1.68 -1.64 117.51 120.32 1lm0 h ILE 43 Ca 0.30 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.70 1lm0 h ILE 43 Cb 0.51 0.86 -0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1lm0 h ILE 43 CO -0.69 0.00 -0.04 0.58 -1.05 0.00 0.00 178.15 176.95 1lm0 h VAL 44 N 0.00 1.00 -0.87 0.16 2.07 -0.50 0.30 116.25 118.41 1lm0 h VAL 44 Ca 0.12 -1.76 0.18 0.00 0.82 0.00 0.00 66.70 66.05 1lm0 h VAL 44 Cb 0.51 1.90 -0.11 0.00 -1.52 0.00 0.00 31.29 32.07 1lm0 h VAL 44 CO -0.00 0.34 0.43 0.78 0.02 0.00 0.00 177.57 179.14 1lm0 h ASN 45 N -1.00 0.47 0.00 0.57 -0.26 0.22 -3.39 115.58 112.19 1lm0 h ASN 45 Ca -0.01 0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.75 1lm0 h ASN 45 Cb 0.58 0.05 -0.12 0.00 -1.06 0.00 0.00 38.32 37.77 1lm0 h ASN 45 CO -0.01 0.14 -0.03 0.61 -1.06 0.00 0.00 177.43 177.08 1lm0 n GLY 46 N -1.33 -1.43 0.00 2.83 0.00 -0.95 -4.99 105.19 99.32 1lm0 n GLY 46 Ca 0.19 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1lm0 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lm0 n LYS 47 N 1.00 0.00 -0.06 1.61 4.01 -1.25 -4.66 118.16 118.81 1lm0 n LYS 47 Ca -0.01 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.76 1lm0 n LYS 47 Cb 0.73 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.23 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 0.18 -0.77 -0.18 2.02 -0.72 0.14 112.91 113.58 1lm0 h THR 48 Ca 0.00 -1.15 0.15 0.00 0.77 0.00 0.00 66.41 66.17 1lm0 h THR 48 Cb 0.00 0.36 -0.10 0.00 -1.74 0.00 0.00 68.15 66.67 1lm0 h THR 48 CO 0.00 0.06 0.31 -0.78 0.37 0.00 0.00 175.52 175.48 1lm0 h ASP 49 N -1.00 0.28 0.96 4.18 1.82 -1.31 0.12 116.42 121.46 1lm0 h ASP 49 Ca -0.01 0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 1lm0 h ASP 49 Cb 0.27 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1lm0 h ASP 49 CO -0.01 0.10 -0.36 0.74 -1.61 0.00 0.00 179.24 178.10 1lm0 h THR 50 N 0.44 0.81 -5.94 2.25 2.02 -1.75 -3.46 112.91 107.27 1lm0 h THR 50 Ca 0.43 -1.53 -0.40 0.00 0.77 0.00 0.00 66.41 65.68 1lm0 h THR 50 Cb 0.66 1.96 0.09 0.00 -1.74 0.00 0.00 68.15 69.12 1lm0 h THR 50 CO -0.42 0.35 -0.77 0.61 0.37 0.00 0.00 175.52 175.66 1lm0 n GLY 51 N 0.36 -0.39 0.04 2.16 0.00 0.43 -4.91 105.19 102.87 1lm0 n GLY 51 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.43 0.53 0.00 1.61 0.24 0.27 -4.96 118.33 111.59 1lm0 n VAL 52 Ca -0.19 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1lm0 n VAL 52 Cb 0.63 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 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 -2.26 0.00 -2.53 7.34 4.76 -1.23 -5.00 118.16 119.24 1lm0 n LYS 53 Ca -0.13 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.98 1lm0 n LYS 53 Cb 0.70 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.85 1lm0 n LYS 53 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1lm0 s PRO 54 N -0.72 3.86 0.25 1.97 0.04 -1.26 -5.07 135.00 134.07 1lm0 s PRO 54 Ca 0.00 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.35 1lm0 s PRO 54 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1lm0 s PRO 54 CO 0.00 -0.36 0.12 -1.21 0.04 0.00 0.00 177.00 175.59 1lm0 s GLU 55 N -3.42 2.70 0.28 4.56 2.02 -1.26 -4.56 118.70 119.02 1lm0 s GLU 55 Ca 0.65 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 1lm0 s GLU 55 Cb -0.14 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.56 1lm0 s GLU 55 CO 0.22 0.39 1.38 0.00 0.02 0.00 0.00 175.26 177.27 1lm0 s ALA 56 N -2.16 3.57 0.00 5.21 0.00 -1.26 -3.15 121.76 123.97 1lm0 s ALA 56 Ca 0.32 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1lm0 s ALA 56 Cb -0.08 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1lm0 s ALA 56 CO 0.23 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1lm0 n GLY 57 N 1.64 0.74 3.85 0.00 0.00 0.57 -4.83 105.19 107.17 1lm0 n GLY 57 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.51 3.98 -0.42 1.61 -0.21 -1.19 -4.74 119.66 118.18 1lm0 s GLN 58 Ca 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 55.36 55.78 1lm0 s GLN 58 Cb 0.00 -2.78 0.06 0.00 1.00 0.00 0.00 33.01 31.29 1lm0 s GLN 58 CO 0.00 0.38 0.29 0.50 -2.12 0.00 0.00 175.29 174.34 1lm0 s ARG 59 N -2.33 2.82 0.36 2.91 3.00 -1.26 -0.66 118.95 123.78 1lm0 s ARG 59 Ca 0.43 -1.28 0.05 0.00 -1.00 0.00 0.00 55.73 53.94 1lm0 s ARG 59 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 34.95 30.89 1lm0 s ARG 59 CO 0.20 -0.89 0.20 0.96 0.00 0.00 0.00 175.30 175.77 1lm0 s ILE 60 N 1.55 0.26 -0.17 4.11 -4.36 -0.75 -4.53 121.20 117.31 1lm0 s ILE 60 Ca 0.03 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1lm0 s ILE 60 Cb -0.22 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.08 1lm0 s ILE 60 CO 0.06 0.00 -0.17 -0.13 0.24 0.00 0.00 174.94 174.93 1lm0 s ARG 61 N -3.60 2.68 -0.06 0.37 0.52 0.62 -2.32 118.95 117.16 1lm0 s ARG 61 Ca 0.33 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.55 1lm0 s ARG 61 Cb 0.03 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1lm0 s ARG 61 CO 0.21 -0.23 0.83 0.54 0.02 0.00 0.00 175.30 176.67 1lm0 s VAL 62 N 1.37 4.95 -0.04 3.52 0.11 0.50 -0.80 120.40 130.01 1lm0 s VAL 62 Ca 0.05 1.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.81 1lm0 s VAL 62 Cb -0.13 -4.16 0.02 0.00 -1.53 0.00 0.00 36.38 30.58 1lm0 s VAL 62 CO -0.12 0.18 -0.02 -0.83 -3.33 0.00 0.00 175.10 170.99 1lm0 s GLY 63 N 0.93 0.34 0.00 6.54 0.00 0.12 -0.44 107.32 114.82 1lm0 s GLY 63 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1lm0 s GLY 63 CO 0.21 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.52 1lm0 n GLY 64 N 4.22 -0.66 3.38 0.20 0.00 -1.14 -4.04 105.19 107.15 1lm0 n GLY 64 Ca -0.24 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.02 2.03 -0.12 1.61 0.23 0.42 -2.42 119.30 121.03 1lm0 s MET 65 Ca 0.00 -0.98 -0.06 0.00 -1.03 0.00 0.00 55.69 53.61 1lm0 s MET 65 Cb 0.00 -2.10 -0.04 0.00 -1.53 0.00 0.00 34.83 31.16 1lm0 s MET 65 CO 0.00 0.55 0.12 0.14 -2.03 0.00 0.00 175.02 173.80 1lm0 s VAL 66 N -0.78 5.35 0.30 5.16 -7.23 -0.16 -0.88 120.40 122.16 1lm0 s VAL 66 Ca 0.12 0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 1lm0 s VAL 66 Cb -0.10 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.42 1lm0 s VAL 66 CO 0.02 0.62 1.15 -0.89 -0.31 0.00 0.00 175.10 175.69 1lm0 s THR 67 N -0.99 3.28 0.10 5.32 2.01 -1.23 -3.30 115.64 120.84 1lm0 s THR 67 Ca 0.15 1.28 -0.28 0.00 0.31 0.00 0.00 61.69 63.14 1lm0 s THR 67 Cb -0.12 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 1lm0 s THR 67 CO 0.04 0.29 1.46 1.62 -0.69 0.00 0.00 174.62 177.34 1lm0 h VAL 68 N 3.03 0.00 -2.24 3.82 3.04 -1.94 -3.24 116.25 118.72 1lm0 h VAL 68 Ca -0.47 0.00 -0.77 0.00 -1.01 0.00 0.00 66.70 64.44 1lm0 h VAL 68 Cb 1.22 0.00 -0.21 0.00 -2.01 0.00 0.00 31.29 30.29 1lm0 h VAL 68 CO 0.66 0.00 1.35 0.61 -1.01 0.00 0.00 177.57 179.18 1lm0 n GLY 69 N -1.34 4.52 0.00 3.17 0.00 -1.26 -4.37 105.19 105.92 1lm0 n GLY 69 Ca -0.04 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 3.37 0.00 -4.57 1.61 7.64 -1.22 -5.05 113.62 115.40 1lm0 n SER 70 Ca 0.33 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.81 1lm0 n SER 70 Cb 0.37 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 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 2.79 -0.16 1.43 1.75 -1.26 -4.09 119.30 118.76 1lm0 s MET 71 Ca 0.00 1.30 -0.02 0.00 -1.25 0.00 0.00 55.69 55.72 1lm0 s MET 71 Cb 0.00 -4.38 -0.01 0.00 2.84 0.00 0.00 34.83 33.28 1lm0 s MET 71 CO 0.00 -2.50 -0.09 0.14 -0.65 0.00 0.00 175.02 171.92 1lm0 s VAL 72 N 9.07 3.25 -0.04 10.11 -7.23 -0.12 -5.01 120.40 130.43 1lm0 s VAL 72 Ca 0.84 -0.57 0.07 0.00 -1.81 0.00 0.00 61.98 60.51 1lm0 s VAL 72 Cb -0.20 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1lm0 s VAL 72 CO 0.28 0.49 -0.25 0.00 -0.31 0.00 0.00 175.10 175.31 1lm0 s ARG 73 N 0.74 2.38 0.20 4.82 3.03 -1.26 -0.90 118.95 127.96 1lm0 s ARG 73 Ca -0.04 -0.91 -0.15 0.00 2.03 0.00 0.00 55.73 56.66 1lm0 s ARG 73 Cb -0.15 -2.10 -0.08 0.00 -1.03 0.00 0.00 34.95 31.59 1lm0 s ARG 73 CO 0.02 0.44 0.62 -0.51 -1.13 0.00 0.00 175.30 174.75 1lm0 s ASP 74 N -0.32 6.87 0.00 -2.89 1.11 -0.30 -4.95 116.67 116.19 1lm0 s ASP 74 Ca 0.01 1.19 0.00 0.00 0.18 0.00 0.00 52.55 53.93 1lm0 s ASP 74 Cb -0.12 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1lm0 s ASP 74 CO 0.02 0.02 0.49 -0.81 1.18 0.00 0.00 175.17 176.08 1lm0 n PRO 75 N 0.53 0.65 0.03 8.23 -0.04 -1.26 -1.18 135.00 141.97 1lm0 n PRO 75 Ca -0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1lm0 n PRO 75 Cb 0.52 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1lm0 n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lm0 n ASN 76 N 0.43 0.71 0.00 3.54 3.02 -1.26 -4.99 115.26 116.72 1lm0 n ASN 76 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1lm0 n ASN 76 Cb 0.25 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 1lm0 n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1lm0 n SER 77 N -2.77 -0.16 -0.07 6.41 7.64 -0.33 -4.82 113.62 119.51 1lm0 n SER 77 Ca -0.09 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.87 1lm0 n SER 77 Cb 0.77 -0.76 0.11 0.00 -1.01 0.00 0.00 64.21 63.32 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 2.17 -3.71 -3.43 -0.00 -1.26 -3.23 117.00 107.53 1lm0 n LEU 78 Ca 0.00 -2.78 -0.13 0.00 -0.00 0.00 0.00 56.01 53.10 1lm0 n LEU 78 Cb 0.01 -0.33 -0.14 0.00 -0.00 0.00 0.00 43.42 42.96 1lm0 n LEU 78 CO 0.00 0.65 -0.17 -1.00 -0.00 0.00 0.00 177.39 176.87 1lm0 s HIS 79 N -2.39 -0.28 -0.18 1.47 3.76 -1.26 -4.08 115.29 112.32 1lm0 s HIS 79 Ca 0.25 0.72 -0.09 0.00 -0.15 0.00 0.00 55.06 55.78 1lm0 s HIS 79 Cb 0.21 -0.04 0.06 0.00 1.11 0.00 0.00 32.58 33.93 1lm0 s HIS 79 CO 0.02 -0.24 0.43 0.14 -0.85 0.00 0.00 174.74 174.24 1lm0 s VAL 80 N 1.57 -0.09 0.01 -0.90 -7.23 -0.06 -1.15 120.40 112.55 1lm0 s VAL 80 Ca -0.06 0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1lm0 s VAL 80 Cb -0.11 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 1lm0 s VAL 80 CO -0.07 0.04 0.04 0.00 -0.31 0.00 0.00 175.10 174.79 1lm0 s GLN 81 N 1.54 0.33 0.03 4.82 -2.07 -0.08 -0.53 119.66 123.70 1lm0 s GLN 81 Ca -0.09 -0.44 -0.05 0.00 -1.82 0.00 0.00 55.36 52.97 1lm0 s GLN 81 Cb -0.09 0.13 -0.01 0.00 -1.09 0.00 0.00 33.01 31.95 1lm0 s GLN 81 CO -0.13 -0.06 0.08 -0.59 -1.32 0.00 0.00 175.29 173.26 1lm0 s PHE 82 N -1.20 0.19 -0.12 9.60 -0.12 -0.28 -0.95 117.98 125.11 1lm0 s PHE 82 Ca -0.13 -0.46 -0.09 0.00 -0.05 0.00 0.00 56.93 56.20 1lm0 s PHE 82 Cb -0.08 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1lm0 s PHE 82 CO -0.00 -0.32 0.18 0.00 -0.05 0.00 0.00 175.22 175.03 1lm0 s ALA 83 N -2.24 3.81 -0.01 1.99 0.00 -1.26 -0.43 121.76 123.63 1lm0 s ALA 83 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1lm0 s ALA 83 Cb -0.03 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1lm0 s ALA 83 CO -0.03 0.51 -0.10 0.54 0.00 0.00 0.00 175.76 176.68 1lm0 s VAL 84 N -0.77 0.82 0.26 0.00 0.11 0.16 -3.54 120.40 117.45 1lm0 s VAL 84 Ca 0.15 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1lm0 s VAL 84 Cb -0.13 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1lm0 s VAL 84 CO 0.05 0.23 0.23 0.00 -3.33 0.00 0.00 175.10 172.28 1lm0 n HIS 85 N 2.86 -0.67 -2.45 1.54 1.44 -0.05 -0.69 115.22 117.19 1lm0 n HIS 85 Ca -0.14 -2.20 -0.02 0.00 -2.01 0.00 0.00 57.72 53.35 1lm0 n HIS 85 Cb 0.56 0.24 0.03 0.00 0.12 0.00 0.00 29.99 30.95 1lm0 n HIS 85 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1lm0 n ASP 86 N -1.94 -0.29 -2.58 4.39 2.03 -1.26 -0.44 116.55 116.46 1lm0 n ASP 86 Ca 0.06 -2.07 -0.10 0.00 0.52 0.00 0.00 54.79 53.19 1lm0 n ASP 86 Cb 0.48 0.16 -0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1lm0 n ASP 86 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1lm0 n SER 87 N -0.49 -3.06 -0.52 1.67 3.41 -1.26 -4.82 113.62 108.55 1lm0 n SER 87 Ca -0.12 0.20 0.07 0.00 -0.26 0.00 0.00 58.87 58.76 1lm0 n SER 87 Cb 0.86 -2.63 0.18 0.00 -0.26 0.00 0.00 64.21 62.36 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1lm0 n LEU 88 N -2.84 2.53 -3.54 1.04 4.77 -1.26 -5.00 117.00 112.70 1lm0 n LEU 88 Ca -0.09 -3.61 -0.24 0.00 -0.03 0.00 0.00 56.01 52.04 1lm0 n LEU 88 Cb 0.57 -0.48 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1lm0 n LEU 88 CO 0.17 1.20 -0.04 0.61 -1.33 0.00 0.00 177.39 178.01 1lm0 n GLY 89 N -1.11 -0.92 0.00 -0.72 0.00 -1.26 -4.84 105.19 96.33 1lm0 n GLY 89 Ca 0.18 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.51 0.21 2.34 -0.02 0.00 -1.26 -4.84 105.19 100.11 1lm0 n GLY 90 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.76 -2.21 -3.55 1.61 2.13 -1.26 -4.99 120.64 111.61 1lm0 n GLU 91 Ca 0.00 1.96 -0.27 0.00 0.66 0.00 0.00 57.16 59.51 1lm0 n GLU 91 Cb 0.00 -4.07 -0.03 0.00 0.27 0.00 0.00 31.44 27.61 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 -1.34 5.14 -0.17 6.31 -1.09 0.13 -4.88 121.20 125.30 1lm0 s ILE 92 Ca 0.04 -0.24 -0.07 0.00 -2.23 0.00 0.00 60.65 58.15 1lm0 s ILE 92 Cb -0.01 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1lm0 s ILE 92 CO 0.53 -0.26 0.05 -0.76 -1.23 0.00 0.00 174.94 173.28 1lm0 s LEU 93 N -3.49 3.78 -0.10 2.97 1.43 -1.26 -0.67 118.68 121.34 1lm0 s LEU 93 Ca 0.40 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1lm0 s LEU 93 Cb -0.11 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1lm0 s LEU 93 CO 0.30 0.21 -0.15 -0.69 0.23 0.00 0.00 176.35 176.25 1lm0 s VAL 94 N 0.18 2.95 0.07 -1.59 1.01 0.42 -3.08 120.40 120.36 1lm0 s VAL 94 Ca 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1lm0 s VAL 94 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1lm0 s VAL 94 CO 0.01 0.55 -0.02 0.42 0.00 0.00 0.00 175.10 176.05 1lm0 s THR 95 N -0.00 3.89 -0.06 3.92 -4.23 -0.17 -1.13 115.64 117.86 1lm0 s THR 95 Ca -0.04 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.36 1lm0 s THR 95 Cb -0.14 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1lm0 s THR 95 CO 0.04 0.19 0.36 -0.47 -0.54 0.00 0.00 174.62 174.20 1lm0 s TYR 96 N -1.23 -0.29 -0.27 3.99 6.14 0.31 -1.98 117.35 124.03 1lm0 s TYR 96 Ca 0.23 0.58 0.22 0.00 0.64 0.00 0.00 57.07 58.74 1lm0 s TYR 96 Cb -0.11 0.14 0.50 0.00 0.42 0.00 0.00 41.96 42.90 1lm0 s TYR 96 CO 0.15 -0.34 1.13 -0.40 0.64 0.00 0.00 175.55 176.73 1lm0 n ASP 97 N 1.77 1.36 -2.70 4.32 5.75 -1.26 -0.88 116.55 124.91 1lm0 n ASP 97 Ca -0.19 -2.06 -0.06 0.00 -0.01 0.00 0.00 54.79 52.47 1lm0 n ASP 97 Cb 0.56 -0.40 0.09 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.65 -1.83 -0.67 -1.12 -0.08 -1.26 -4.70 116.55 106.25 1lm0 n ASP 98 Ca 0.05 -2.74 0.02 0.00 -1.51 0.00 0.00 54.79 50.61 1lm0 n ASP 98 Cb 0.81 1.44 -0.00 0.00 2.34 0.00 0.00 41.12 45.71 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 0.10 0.00 -3.82 -2.67 4.32 -1.20 -4.97 117.00 108.76 1lm0 n LEU 99 Ca -0.03 0.14 -0.12 0.00 -0.02 0.00 0.00 56.01 55.99 1lm0 n LEU 99 Cb 0.74 -0.42 -0.09 0.00 -1.62 0.00 0.00 43.42 42.03 1lm0 n LEU 99 CO -0.04 -1.07 -0.07 -0.76 -1.22 0.00 0.00 177.39 174.23 1lm0 s LEU 100 N 0.00 1.23 0.24 2.23 1.43 -1.26 -4.94 118.68 117.60 1lm0 s LEU 100 Ca 0.00 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.62 1lm0 s LEU 100 Cb 0.00 1.00 -0.11 0.00 0.03 0.00 0.00 46.19 47.12 1lm0 s LEU 100 CO 0.00 -0.48 1.54 -2.16 0.23 0.00 0.00 176.35 175.48 1lm0 s PRO 101 N -1.87 4.20 -1.62 1.29 0.04 -1.26 -2.44 135.00 133.34 1lm0 s PRO 101 Ca -0.10 2.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 1lm0 s PRO 101 Cb -0.04 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1lm0 s PRO 101 CO 0.00 -0.56 0.26 -0.25 0.04 0.00 0.00 177.00 176.49 1lm0 n ASP 102 N 2.87 -0.21 -0.67 6.66 9.92 -1.26 -0.13 116.55 133.73 1lm0 n ASP 102 Ca 0.10 -1.21 -0.05 0.00 -0.53 0.00 0.00 54.79 53.09 1lm0 n ASP 102 Cb 0.38 -1.90 -0.02 0.00 -0.64 0.00 0.00 41.12 38.94 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 -4.42 -0.15 -2.51 0.64 -0.00 -1.02 -2.96 117.00 106.57 1lm0 n LEU 103 Ca -0.19 0.14 -0.03 0.00 -0.00 0.00 0.00 56.01 55.92 1lm0 n LEU 103 Cb 0.62 -1.63 -0.03 0.00 -0.00 0.00 0.00 43.42 42.39 1lm0 n LEU 103 CO 0.86 -0.54 -0.54 0.33 -0.00 0.00 0.00 177.39 177.50 1lm0 n PHE 104 N -1.38 -3.84 -2.55 1.47 7.35 0.82 -4.87 117.46 114.46 1lm0 n PHE 104 Ca -0.05 2.04 -0.42 0.00 -0.76 0.00 0.00 57.45 58.25 1lm0 n PHE 104 Cb 0.31 -3.70 -0.03 0.00 0.35 0.00 0.00 39.48 36.41 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 -1.00 4.36 0.80 -4.13 0.52 -1.16 -4.98 118.95 113.36 1lm0 s ARG 105 Ca -0.16 1.55 -0.10 0.00 -0.52 0.00 0.00 55.73 56.51 1lm0 s ARG 105 Cb 0.01 -3.57 0.11 0.00 0.52 0.00 0.00 34.95 32.02 1lm0 s ARG 105 CO 0.71 -0.43 1.14 -1.21 0.02 0.00 0.00 175.30 175.52 1lm0 s GLU 106 N 2.31 1.63 -1.05 3.54 8.01 -1.26 -4.48 118.70 127.41 1lm0 s GLU 106 Ca 0.52 -0.31 -0.06 0.00 0.01 0.00 0.00 54.97 55.13 1lm0 s GLU 106 Cb -0.22 -2.04 0.01 0.00 -4.31 0.00 0.00 34.13 27.57 1lm0 s GLU 106 CO 0.19 -1.69 0.91 0.41 0.01 0.00 0.00 175.26 175.09 1lm0 n GLY 107 N -3.25 -0.23 3.68 -1.39 0.00 -1.21 -4.93 105.19 97.86 1lm0 n GLY 107 Ca 0.11 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.84 2.12 -0.08 1.61 -2.07 -1.26 -5.00 119.66 109.14 1lm0 s GLN 108 Ca 0.37 -1.59 0.00 0.00 -1.82 0.00 0.00 55.36 52.32 1lm0 s GLN 108 Cb -0.16 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1lm0 s GLN 108 CO 0.58 -0.95 -0.07 0.20 -1.32 0.00 0.00 175.29 173.73 1lm0 s GLY 109 N -3.15 1.69 0.19 2.60 0.00 -1.26 -0.99 107.32 106.41 1lm0 s GLY 109 Ca 0.22 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1lm0 s GLY 109 CO 0.15 -0.57 0.12 -0.26 0.00 0.00 0.00 173.10 172.55 1lm0 s ILE 110 N -0.62 0.01 0.06 0.90 -5.25 -1.02 -3.35 121.20 111.94 1lm0 s ILE 110 Ca 0.09 -1.98 0.08 0.00 -0.99 0.00 0.00 60.65 57.85 1lm0 s ILE 110 Cb -0.12 -2.44 -0.03 0.00 2.95 0.00 0.00 42.46 42.82 1lm0 s ILE 110 CO 0.02 -0.06 -0.23 0.68 -1.79 0.00 0.00 174.94 173.56 1lm0 s VAL 111 N -4.14 1.86 -0.09 8.37 -7.23 -0.70 -2.87 120.40 115.60 1lm0 s VAL 111 Ca 0.37 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1lm0 s VAL 111 Cb 0.07 -1.62 0.02 0.00 0.56 0.00 0.00 36.38 35.42 1lm0 s VAL 111 CO 0.11 0.21 -0.07 0.00 -0.31 0.00 0.00 175.10 175.03 1lm0 s ALA 112 N -0.87 1.13 0.01 1.32 0.00 0.42 -0.46 121.76 123.31 1lm0 s ALA 112 Ca 0.09 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1lm0 s ALA 112 Cb -0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1lm0 s ALA 112 CO 0.03 -0.24 -0.01 -0.65 0.00 0.00 0.00 175.76 174.89 1lm0 s GLN 113 N 1.38 2.75 0.00 0.00 -0.21 0.30 -0.37 119.66 123.50 1lm0 s GLN 113 Ca -0.02 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1lm0 s GLN 113 Cb -0.14 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.23 1lm0 s GLN 113 CO -0.04 0.62 0.00 0.41 -2.12 0.00 0.00 175.29 174.16 1lm0 n GLY 114 N 1.35 -0.63 3.02 3.09 0.00 -0.98 -1.45 105.19 109.59 1lm0 n GLY 114 Ca -0.14 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.95 0.60 0.60 1.61 0.11 0.06 -1.81 120.40 117.63 1lm0 s VAL 115 Ca 0.00 -0.56 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 1lm0 s VAL 115 Cb 0.00 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1lm0 s VAL 115 CO 0.00 0.00 1.09 -0.76 -3.33 0.00 0.00 175.10 172.10 1lm0 s LEU 116 N -0.62 3.52 0.01 2.54 2.01 0.16 -1.13 118.68 125.19 1lm0 s LEU 116 Ca -0.01 1.96 0.00 0.00 0.01 0.00 0.00 54.13 56.09 1lm0 s LEU 116 Cb -0.05 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.60 1lm0 s LEU 116 CO 0.00 -1.33 0.00 0.61 1.01 0.00 0.00 176.35 176.64 1lm0 n GLY 117 N -0.55 -0.44 3.76 -3.19 0.00 -1.25 -0.32 105.19 103.21 1lm0 n GLY 117 Ca 0.10 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.40 -1.50 1.61 2.02 -1.21 -4.81 118.70 116.20 1lm0 s GLU 118 Ca 0.00 1.96 -0.10 0.00 0.02 0.00 0.00 54.97 56.85 1lm0 s GLU 118 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1lm0 s GLU 118 CO 0.00 -0.90 2.59 -3.47 0.02 0.00 0.00 175.26 173.50 1lm0 n ASP 119 N -0.87 7.14 0.00 -0.19 2.03 -1.26 -2.81 116.55 120.59 1lm0 n ASP 119 Ca 0.09 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1lm0 n ASP 119 Cb 0.47 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 3.31 0.62 3.23 0.27 0.00 -1.26 -4.98 105.19 106.38 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 0.00 1.21 -0.04 1.61 3.01 -1.12 -4.62 119.74 119.78 1lm0 s LYS 121 Ca 0.00 -1.63 0.04 0.00 -1.01 0.00 0.00 55.97 53.38 1lm0 s LYS 121 Cb 0.00 0.04 -0.00 0.00 -1.01 0.00 0.00 37.83 36.86 1lm0 s LYS 121 CO 0.00 -0.31 -0.17 -0.51 0.51 0.00 0.00 175.35 174.87 1lm0 s LEU 122 N -3.19 1.93 -0.52 3.17 1.02 -1.18 -3.36 118.68 116.55 1lm0 s LEU 122 Ca 0.34 -0.33 -0.17 0.00 0.02 0.00 0.00 54.13 53.99 1lm0 s LEU 122 Cb 0.07 -0.93 0.09 0.00 0.02 0.00 0.00 46.19 45.44 1lm0 s LEU 122 CO 0.10 0.16 0.54 0.00 0.02 0.00 0.00 176.35 177.17 1lm0 s ALA 123 N -0.02 3.50 -0.15 4.21 0.00 -0.28 -1.00 121.76 128.02 1lm0 s ALA 123 Ca -0.02 -2.14 0.01 0.00 0.00 0.00 0.00 51.96 49.81 1lm0 s ALA 123 Cb -0.10 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1lm0 s ALA 123 CO 0.02 -1.99 -0.17 0.00 0.00 0.00 0.00 175.76 173.61 1lm0 s ALA 124 N 2.11 2.01 -0.27 0.00 0.00 -0.84 -0.76 121.76 124.01 1lm0 s ALA 124 Ca 0.08 -0.99 0.13 0.00 0.00 0.00 0.00 51.96 51.18 1lm0 s ALA 124 Cb -0.24 -1.06 -0.18 0.00 0.00 0.00 0.00 23.12 21.64 1lm0 s ALA 124 CO 0.07 -0.31 0.40 -2.37 0.00 0.00 0.00 175.76 173.55 1lm0 n THR 125 N 4.60 0.00 -3.22 0.00 5.66 -1.03 -4.41 114.28 115.87 1lm0 n THR 125 Ca -0.19 -0.26 -0.45 0.00 -3.05 0.00 0.00 64.05 60.11 1lm0 n THR 125 Cb 0.50 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1lm0 n GLU 126 N -1.67 3.59 -3.12 1.09 1.02 -0.53 -4.96 120.64 116.06 1lm0 n GLU 126 Ca -0.00 -4.34 -0.39 0.00 -0.02 0.00 0.00 57.16 52.41 1lm0 n GLU 126 Cb 0.28 -2.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.01 1lm0 n GLU 126 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1lm0 s VAL 127 N -0.87 5.08 -0.31 2.62 -7.23 -1.26 -0.54 120.40 117.89 1lm0 s VAL 127 Ca 0.33 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 61.81 1lm0 s VAL 127 Cb -0.07 -3.98 0.07 0.00 0.56 0.00 0.00 36.38 32.96 1lm0 s VAL 127 CO -0.05 0.28 0.01 -0.76 -0.31 0.00 0.00 175.10 174.27 1lm0 s LEU 128 N 0.72 4.14 -1.33 1.32 2.01 0.39 -4.95 118.68 120.98 1lm0 s LEU 128 Ca 0.34 -1.59 -0.12 0.00 0.01 0.00 0.00 54.13 52.77 1lm0 s LEU 128 Cb -0.17 -1.67 0.12 0.00 0.01 0.00 0.00 46.19 44.48 1lm0 s LEU 128 CO 0.16 -0.31 1.92 0.00 1.01 0.00 0.00 176.35 179.14 1lm0 n ALA 129 N 4.49 5.09 -0.27 4.21 0.00 -1.26 -1.71 120.51 131.06 1lm0 n ALA 129 Ca -0.09 -4.13 0.13 0.00 0.00 0.00 0.00 53.44 49.36 1lm0 n ALA 129 Cb 0.42 -3.22 0.39 0.00 0.00 0.00 0.00 19.45 17.05 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 6.15 0.63 -2.29 0.00 -0.00 -1.94 -3.13 116.57 115.99 1lm0 h LYS 130 Ca 0.45 -0.04 -0.59 0.00 -0.00 0.00 0.00 60.65 60.47 1lm0 h LYS 130 Cb 0.68 -0.14 -0.14 0.00 -0.00 0.00 0.00 32.23 32.62 1lm0 h LYS 130 CO 1.65 0.42 1.30 1.58 -0.00 0.00 0.00 179.45 184.39 1lm0 n HIS 131 N -4.57 1.96 0.00 0.07 -0.00 -1.21 -5.11 115.22 106.35 1lm0 n HIS 131 Ca 0.18 -2.32 0.00 0.00 0.46 0.00 0.00 57.72 56.04 1lm0 n HIS 131 Cb 0.51 -1.61 0.00 0.00 -0.12 0.00 0.00 29.99 28.77 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55