#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 0.80 -0.55 -3.46 2.47 -1.26 -5.07 114.94 107.87 1lm0 s ASN 33 Ca 0.00 0.18 0.07 0.00 0.42 0.00 0.00 52.86 53.52 1lm0 s ASN 33 Cb 0.00 0.60 0.28 0.00 -1.45 0.00 0.00 41.25 40.69 1lm0 s ASN 33 CO 0.00 -0.29 0.75 0.18 -3.72 0.00 0.00 177.10 174.03 1lm0 n LEU 34 N 5.34 2.97 -3.62 3.21 4.77 -1.26 -5.03 117.00 123.38 1lm0 n LEU 34 Ca -0.05 -5.32 -0.24 0.00 -0.03 0.00 0.00 56.01 50.37 1lm0 n LEU 34 Cb 0.50 -0.25 -0.17 0.00 -2.33 0.00 0.00 43.42 41.17 1lm0 n LEU 34 CO 0.06 2.16 -0.32 0.20 -1.33 0.00 0.00 177.39 178.15 1lm0 s ASN 35 N -2.48 1.92 -0.21 -1.43 0.01 -1.26 -4.63 114.94 106.86 1lm0 s ASN 35 Ca 0.41 -0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 52.03 1lm0 s ASN 35 Cb 0.21 -0.15 0.06 0.00 0.41 0.00 0.00 41.25 41.77 1lm0 s ASN 35 CO -0.07 -0.32 0.53 -1.48 -1.51 0.00 0.00 177.10 174.25 1lm0 s LEU 36 N 2.17 -0.23 -0.35 0.60 2.34 -1.26 -5.03 118.68 116.92 1lm0 s LEU 36 Ca 0.03 1.11 -0.18 0.00 0.06 0.00 0.00 54.13 55.15 1lm0 s LEU 36 Cb -0.15 1.81 -0.00 0.00 -0.56 0.00 0.00 46.19 47.29 1lm0 s LEU 36 CO -0.08 -0.20 0.50 -0.36 -1.06 0.00 0.00 176.35 175.16 1lm0 s PHE 37 N 0.85 3.18 0.23 3.48 0.08 -1.26 -0.38 117.98 124.16 1lm0 s PHE 37 Ca -0.05 0.16 0.12 0.00 0.12 0.00 0.00 56.93 57.28 1lm0 s PHE 37 Cb -0.05 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.44 1lm0 s PHE 37 CO -0.07 -0.54 -0.22 0.71 -0.10 0.00 0.00 175.22 175.00 1lm0 s TYR 38 N 2.37 2.28 0.14 0.36 1.51 0.41 -4.95 117.35 119.48 1lm0 s TYR 38 Ca 0.18 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 55.76 1lm0 s TYR 38 Cb -0.16 -1.07 -0.07 0.00 -0.11 0.00 0.00 41.96 40.56 1lm0 s TYR 38 CO 0.13 0.60 0.53 0.95 -1.11 0.00 0.00 175.55 176.65 1lm0 s THR 39 N -2.06 4.89 0.36 -0.71 -4.23 -1.26 -0.58 115.64 112.04 1lm0 s THR 39 Ca 0.25 0.76 0.08 0.00 -1.18 0.00 0.00 61.69 61.60 1lm0 s THR 39 Cb -0.07 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.37 1lm0 s THR 39 CO 0.12 0.23 1.90 1.55 -0.54 0.00 0.00 174.62 177.88 1lm0 h PRO 40 N 3.52 0.69 -0.89 3.99 0.13 -1.74 0.18 132.00 137.88 1lm0 h PRO 40 Ca -0.49 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 64.79 1lm0 h PRO 40 Cb 1.19 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 1lm0 h PRO 40 CO 0.66 0.46 0.58 1.03 -0.23 0.00 0.00 178.00 180.50 1lm0 h SER 41 N 0.71 0.48 -0.08 1.44 0.87 -1.43 -0.34 113.55 115.20 1lm0 h SER 41 Ca 0.40 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1lm0 h SER 41 Cb 0.56 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1lm0 h SER 41 CO -0.17 0.21 0.00 1.21 -0.53 0.00 0.00 176.83 177.55 1lm0 n GLU 42 N -4.54 1.29 0.00 2.24 2.13 0.05 -3.32 120.64 118.49 1lm0 n GLU 42 Ca 0.19 -0.43 0.00 0.00 0.66 0.00 0.00 57.16 57.57 1lm0 n GLU 42 Cb 0.63 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 31.06 1lm0 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1lm0 n ILE 43 N -0.31 0.15 -0.09 6.31 -5.35 -0.15 -4.77 119.36 115.15 1lm0 n ILE 43 Ca 0.12 -0.57 -0.08 0.00 -0.27 0.00 0.00 62.75 61.95 1lm0 n ILE 43 Cb 0.15 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 38.96 1lm0 n ILE 43 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1lm0 n VAL 44 N -0.07 1.48 -2.35 7.28 3.14 -1.14 -1.41 118.33 125.25 1lm0 n VAL 44 Ca 0.00 0.15 -0.36 0.00 -2.96 0.00 0.00 64.34 61.17 1lm0 n VAL 44 Cb 0.04 -2.35 -0.03 0.00 -1.06 0.00 0.00 33.84 30.44 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1lm0 s ASN 45 N -5.91 6.00 -0.64 6.55 0.01 -1.25 -3.77 114.94 115.94 1lm0 s ASN 45 Ca -0.25 -1.68 -0.02 0.00 -0.71 0.00 0.00 52.86 50.19 1lm0 s ASN 45 Cb 0.04 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 1lm0 s ASN 45 CO 0.38 -2.01 0.55 0.61 -1.51 0.00 0.00 177.10 175.12 1lm0 n GLY 46 N 6.14 -0.21 0.00 0.66 0.00 -1.26 -5.01 105.19 105.51 1lm0 n GLY 46 Ca 0.42 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.61 0.00 -0.08 1.61 4.76 -1.25 -4.66 118.16 115.93 1lm0 n LYS 47 Ca -0.08 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.28 1lm0 n LYS 47 Cb 0.58 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.76 1lm0 n LYS 47 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1lm0 h THR 48 N 0.00 1.00 -0.92 -0.18 2.02 -1.71 -0.03 112.91 113.09 1lm0 h THR 48 Ca 0.00 -0.11 0.14 0.00 0.77 0.00 0.00 66.41 67.20 1lm0 h THR 48 Cb 0.00 0.65 -0.14 0.00 -1.74 0.00 0.00 68.15 66.91 1lm0 h THR 48 CO 0.00 0.06 -0.38 -0.67 0.37 0.00 0.00 175.52 174.90 1lm0 n ASP 49 N -4.95 -0.65 -0.59 4.18 -0.08 -0.50 -0.84 116.55 113.13 1lm0 n ASP 49 Ca -0.01 1.61 0.13 0.00 -1.51 0.00 0.00 54.79 55.02 1lm0 n ASP 49 Cb 0.06 -0.35 0.30 0.00 2.34 0.00 0.00 41.12 43.47 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1lm0 n THR 50 N -5.33 0.00 -4.06 5.18 -1.04 -1.02 -4.51 114.28 103.49 1lm0 n THR 50 Ca 0.08 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.46 1lm0 n THR 50 Cb 0.35 0.89 -0.00 0.00 -1.82 0.00 0.00 70.33 69.76 1lm0 n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm0 n GLY 51 N 1.29 -0.44 0.09 3.41 0.00 -0.02 -4.90 105.19 104.62 1lm0 n GLY 51 Ca 0.15 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.51 1.17 0.00 1.61 0.24 -1.01 -4.83 118.33 111.00 1lm0 n VAL 52 Ca 0.01 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1lm0 n VAL 52 Cb 0.53 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.84 0.00 -2.34 7.34 4.76 -1.26 -5.02 118.16 118.81 1lm0 n LYS 53 Ca -0.13 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.88 1lm0 n LYS 53 Cb 0.89 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 34.05 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 -0.58 4.25 0.65 1.97 0.04 -1.26 -5.02 135.00 135.04 1lm0 s PRO 54 Ca 0.00 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1lm0 s PRO 54 Cb 0.00 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 1lm0 s PRO 54 CO 0.00 -0.67 1.04 -1.21 0.04 0.00 0.00 177.00 176.20 1lm0 s GLU 55 N 3.27 3.31 0.79 4.56 0.41 -1.26 -4.45 118.70 125.32 1lm0 s GLU 55 Ca 0.59 0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 55.86 1lm0 s GLU 55 Cb -0.25 -2.04 0.07 0.00 -1.78 0.00 0.00 34.13 30.13 1lm0 s GLU 55 CO 0.19 -0.80 1.13 0.00 -0.49 0.00 0.00 175.26 175.30 1lm0 s ALA 56 N -3.13 2.04 0.00 5.21 0.00 -1.26 -3.53 121.76 121.09 1lm0 s ALA 56 Ca 0.56 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1lm0 s ALA 56 Cb -0.12 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1lm0 s ALA 56 CO 0.54 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.72 1lm0 n GLY 57 N -0.38 0.83 3.86 0.00 0.00 0.69 -4.96 105.19 105.23 1lm0 n GLY 57 Ca 0.11 0.00 -0.34 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 -0.58 3.86 -0.05 1.61 -0.21 -1.23 -4.76 119.66 118.31 1lm0 s GLN 58 Ca 0.00 0.33 -0.19 0.00 0.02 0.00 0.00 55.36 55.52 1lm0 s GLN 58 Cb 0.00 -2.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 1lm0 s GLN 58 CO 0.00 0.46 0.53 1.03 -2.12 0.00 0.00 175.29 175.19 1lm0 s ARG 59 N -2.18 4.27 0.21 2.91 0.52 -1.26 -0.82 118.95 122.61 1lm0 s ARG 59 Ca 0.39 0.59 -0.06 0.00 -0.52 0.00 0.00 55.73 56.13 1lm0 s ARG 59 Cb -0.14 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 1lm0 s ARG 59 CO 0.20 0.33 0.27 0.96 0.02 0.00 0.00 175.30 177.07 1lm0 s ILE 60 N 0.01 0.01 -0.14 1.52 -4.36 -1.26 -4.73 121.20 112.24 1lm0 s ILE 60 Ca 0.28 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1lm0 s ILE 60 Cb -0.17 -2.32 -0.00 0.00 1.25 0.00 0.00 42.46 41.22 1lm0 s ILE 60 CO 0.14 -0.04 -0.17 -0.13 0.24 0.00 0.00 174.94 174.98 1lm0 s ARG 61 N -4.09 3.20 -0.02 0.37 0.52 0.49 -3.42 118.95 116.00 1lm0 s ARG 61 Ca 0.31 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.56 1lm0 s ARG 61 Cb 0.04 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.89 1lm0 s ARG 61 CO 0.10 0.06 0.53 0.14 0.02 0.00 0.00 175.30 176.15 1lm0 s VAL 62 N 0.68 4.97 -0.07 3.52 -7.23 0.85 -0.44 120.40 122.68 1lm0 s VAL 62 Ca -0.08 1.10 0.02 0.00 -1.81 0.00 0.00 61.98 61.21 1lm0 s VAL 62 Cb -0.16 -3.86 0.01 0.00 0.56 0.00 0.00 36.38 32.94 1lm0 s VAL 62 CO 0.02 0.45 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.30 1lm0 s GLY 63 N -0.30 0.82 0.00 2.32 0.00 0.25 -0.43 107.32 109.97 1lm0 s GLY 63 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1lm0 s GLY 63 CO 0.15 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1lm0 n GLY 64 N 3.96 -1.10 3.51 0.20 0.00 -0.64 -4.17 105.19 106.96 1lm0 n GLY 64 Ca -0.22 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.32 2.84 0.83 1.61 0.23 -1.26 -0.84 119.30 122.39 1lm0 s MET 65 Ca 0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 55.69 53.94 1lm0 s MET 65 Cb 0.00 -2.56 0.09 0.00 -1.53 0.00 0.00 34.83 30.83 1lm0 s MET 65 CO 0.00 0.55 1.13 0.08 -2.03 0.00 0.00 175.02 174.75 1lm0 s VAL 66 N -0.52 2.66 -0.14 5.16 1.01 0.03 -2.26 120.40 126.34 1lm0 s VAL 66 Ca 0.07 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1lm0 s VAL 66 Cb -0.12 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1lm0 s VAL 66 CO 0.02 -0.27 -0.03 -0.89 0.00 0.00 0.00 175.10 173.93 1lm0 s THR 67 N -2.69 3.99 0.00 3.92 2.01 -1.15 -4.08 115.64 117.63 1lm0 s THR 67 Ca 0.65 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 1lm0 s THR 67 Cb -0.21 -2.73 -0.12 0.00 0.01 0.00 0.00 72.50 69.44 1lm0 s THR 67 CO 0.55 0.51 2.37 0.55 -0.69 0.00 0.00 174.62 177.92 1lm0 n VAL 68 N 3.25 2.02 0.00 3.82 3.14 -1.26 -2.72 118.33 126.58 1lm0 n VAL 68 Ca -0.17 -0.85 0.00 0.00 -2.96 0.00 0.00 64.34 60.36 1lm0 n VAL 68 Cb 0.53 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 1lm0 n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1lm0 n GLY 69 N 2.20 0.00 0.13 7.55 0.00 -1.26 -5.04 105.19 108.77 1lm0 n GLY 69 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 -4.59 1.61 7.64 -1.10 -5.01 113.62 112.16 1lm0 n SER 70 Ca 0.00 0.00 -0.52 0.00 1.01 0.00 0.00 58.87 59.36 1lm0 n SER 70 Cb 0.00 0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1lm0 n SER 70 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1lm0 n MET 71 N -1.57 1.46 -4.09 1.43 1.56 -1.25 -4.33 117.12 110.34 1lm0 n MET 71 Ca 0.00 0.49 -0.12 0.00 -0.27 0.00 0.00 57.70 57.80 1lm0 n MET 71 Cb 0.00 -2.44 -0.11 0.00 2.15 0.00 0.00 33.22 32.82 1lm0 n MET 71 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1lm0 s VAL 72 N 5.36 0.53 0.07 1.12 -7.23 -0.38 -5.01 120.40 114.86 1lm0 s VAL 72 Ca 1.01 -1.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 1lm0 s VAL 72 Cb -0.85 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1lm0 s VAL 72 CO 0.54 -0.57 -0.17 0.00 -0.31 0.00 0.00 175.10 174.59 1lm0 s ARG 73 N -2.38 1.00 0.49 4.82 1.70 -1.26 -1.31 118.95 122.01 1lm0 s ARG 73 Ca -0.03 -0.98 -0.13 0.00 -0.47 0.00 0.00 55.73 54.12 1lm0 s ARG 73 Cb -0.04 -1.11 -0.06 0.00 -0.57 0.00 0.00 34.95 33.17 1lm0 s ARG 73 CO -0.02 0.26 0.90 -0.51 -1.08 0.00 0.00 175.30 174.85 1lm0 s ASP 74 N -1.62 6.50 0.00 -2.89 1.01 0.05 -4.95 116.67 114.77 1lm0 s ASP 74 Ca 0.02 1.34 0.05 0.00 0.71 0.00 0.00 52.55 54.67 1lm0 s ASP 74 Cb -0.09 -2.41 0.28 0.00 1.01 0.00 0.00 42.92 41.71 1lm0 s ASP 74 CO 0.03 -0.56 0.79 -0.81 0.21 0.00 0.00 175.17 174.82 1lm0 n PRO 75 N -1.72 0.55 0.22 8.23 -0.04 -1.26 -0.90 135.00 140.08 1lm0 n PRO 75 Ca 0.04 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1lm0 n PRO 75 Cb 0.54 -1.14 0.41 0.00 -0.04 0.00 0.00 33.50 33.28 1lm0 n PRO 75 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1lm0 h ASN 76 N 0.00 0.00 -0.02 3.54 2.35 -1.92 -3.47 115.58 116.05 1lm0 h ASN 76 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1lm0 h ASN 76 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1lm0 h ASN 76 CO 0.00 0.23 -0.01 -1.20 -1.65 0.00 0.00 177.43 174.80 1lm0 n SER 77 N -3.34 -4.34 0.00 5.81 7.64 -0.07 -4.81 113.62 114.50 1lm0 n SER 77 Ca 0.01 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1lm0 n SER 77 Cb 0.46 -1.89 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 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 -0.05 1.65 -4.71 -3.43 -0.00 -1.26 -4.72 117.00 104.48 1lm0 n LEU 78 Ca -0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.60 1lm0 n LEU 78 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.61 1lm0 n LEU 78 CO 0.01 0.28 0.46 -1.00 -0.00 0.00 0.00 177.39 177.13 1lm0 s HIS 79 N -1.85 3.57 0.02 1.47 3.76 -1.26 -1.36 115.29 119.65 1lm0 s HIS 79 Ca 0.00 1.32 0.01 0.00 -0.15 0.00 0.00 55.06 56.24 1lm0 s HIS 79 Cb 0.00 -2.87 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 1lm0 s HIS 79 CO 0.00 0.04 -0.04 0.14 -0.85 0.00 0.00 174.74 174.03 1lm0 s VAL 80 N 0.96 0.27 -0.01 -0.90 -7.23 0.15 -0.77 120.40 112.87 1lm0 s VAL 80 Ca 0.40 -0.62 -0.06 0.00 -1.81 0.00 0.00 61.98 59.89 1lm0 s VAL 80 Cb -0.18 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1lm0 s VAL 80 CO 0.19 -0.23 0.13 0.00 -0.31 0.00 0.00 175.10 174.88 1lm0 s GLN 81 N -0.91 0.39 0.06 4.82 -2.07 -0.43 -0.82 119.66 120.71 1lm0 s GLN 81 Ca -0.07 -0.26 -0.23 0.00 -1.82 0.00 0.00 55.36 52.98 1lm0 s GLN 81 Cb -0.06 0.16 0.06 0.00 -1.09 0.00 0.00 33.01 32.08 1lm0 s GLN 81 CO -0.00 -0.09 0.55 -0.59 -1.32 0.00 0.00 175.29 173.84 1lm0 s PHE 82 N -1.01 -0.47 0.06 9.60 -0.71 -0.52 -1.25 117.98 123.69 1lm0 s PHE 82 Ca -0.11 0.49 0.01 0.00 -1.04 0.00 0.00 56.93 56.28 1lm0 s PHE 82 Cb -0.06 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1lm0 s PHE 82 CO 0.01 -0.69 0.14 0.00 -1.34 0.00 0.00 175.22 173.35 1lm0 s ALA 83 N -2.65 3.79 -0.08 1.99 0.00 -1.26 -0.51 121.76 123.04 1lm0 s ALA 83 Ca -0.04 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1lm0 s ALA 83 Cb -0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1lm0 s ALA 83 CO -0.03 0.78 -0.23 0.08 0.00 0.00 0.00 175.76 176.36 1lm0 s VAL 84 N -1.43 2.23 0.13 0.00 1.01 0.18 -2.96 120.40 119.56 1lm0 s VAL 84 Ca 0.31 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1lm0 s VAL 84 Cb -0.13 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1lm0 s VAL 84 CO 0.24 0.56 0.46 -1.38 0.00 0.00 0.00 175.10 174.99 1lm0 s HIS 85 N -0.01 -0.31 0.31 5.22 -3.43 -0.96 -0.69 115.29 115.41 1lm0 s HIS 85 Ca -0.08 0.05 -0.12 0.00 -0.80 0.00 0.00 55.06 54.11 1lm0 s HIS 85 Cb -0.15 0.35 0.01 0.00 -1.43 0.00 0.00 32.58 31.36 1lm0 s HIS 85 CO 0.05 -0.74 0.57 0.34 -2.00 0.00 0.00 174.74 172.96 1lm0 s ASP 86 N -2.74 0.18 0.28 7.38 2.15 -1.26 -4.24 116.67 118.42 1lm0 s ASP 86 Ca 0.02 -1.09 0.03 0.00 0.43 0.00 0.00 52.55 51.94 1lm0 s ASP 86 Cb 0.01 0.68 0.64 0.00 -0.30 0.00 0.00 42.92 43.95 1lm0 s ASP 86 CO -0.12 -1.32 1.77 0.77 -0.17 0.00 0.00 175.17 176.10 1lm0 h SER 87 N 2.13 0.67 -0.32 -0.34 4.64 -2.01 0.22 113.55 118.55 1lm0 h SER 87 Ca -0.27 0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 60.91 1lm0 h SER 87 Cb 1.25 -0.02 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 1lm0 h SER 87 CO 0.36 0.26 -0.66 0.18 -0.87 0.00 0.00 176.83 176.10 1lm0 n LEU 88 N -4.81 3.53 -1.15 5.97 4.77 -1.26 -4.67 117.00 119.39 1lm0 n LEU 88 Ca 0.20 -4.17 0.11 0.00 -0.03 0.00 0.00 56.01 52.13 1lm0 n LEU 88 Cb 0.50 -0.41 0.22 0.00 -2.33 0.00 0.00 43.42 41.40 1lm0 n LEU 88 CO 0.21 1.65 0.70 0.61 -1.33 0.00 0.00 177.39 179.24 1lm0 n GLY 89 N -0.89 1.86 7.00 -0.72 0.00 0.06 -4.48 105.19 108.03 1lm0 n GLY 89 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.45 2.47 3.56 -0.02 0.00 -1.24 -1.32 105.19 110.10 1lm0 n GLY 90 Ca 0.19 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 1lm0 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 91 N 0.00 0.79 0.04 1.61 2.12 -1.26 -4.19 118.70 117.81 1lm0 s GLU 91 Ca 0.00 0.28 -0.21 0.00 0.36 0.00 0.00 54.97 55.40 1lm0 s GLU 91 Cb 0.00 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.81 1lm0 s GLU 91 CO 0.00 -0.23 0.48 -1.50 -0.54 0.00 0.00 175.26 173.47 1lm0 s ILE 92 N -0.95 0.04 -0.14 -3.70 -1.16 0.13 -4.60 121.20 110.82 1lm0 s ILE 92 Ca -0.05 -0.32 -0.03 0.00 -0.51 0.00 0.00 60.65 59.74 1lm0 s ILE 92 Cb -0.01 -0.96 -0.03 0.00 0.61 0.00 0.00 42.46 42.08 1lm0 s ILE 92 CO 0.04 -0.18 -0.04 -0.76 -2.81 0.00 0.00 174.94 171.20 1lm0 s LEU 93 N -1.94 3.26 0.04 8.50 1.43 -1.26 -0.64 118.68 128.06 1lm0 s LEU 93 Ca -0.06 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1lm0 s LEU 93 Cb -0.01 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1lm0 s LEU 93 CO -0.01 0.21 -0.24 -0.69 0.23 0.00 0.00 176.35 175.85 1lm0 s VAL 94 N 0.12 1.92 0.13 -1.59 1.01 0.34 -3.60 120.40 118.73 1lm0 s VAL 94 Ca -0.01 -1.28 0.10 0.00 0.00 0.00 0.00 61.98 60.80 1lm0 s VAL 94 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1lm0 s VAL 94 CO 0.03 0.32 -0.25 0.42 0.00 0.00 0.00 175.10 175.62 1lm0 s THR 95 N -0.78 2.42 -0.23 3.92 -4.23 -0.09 -1.44 115.64 115.22 1lm0 s THR 95 Ca 0.10 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1lm0 s THR 95 Cb -0.09 -2.08 0.12 0.00 1.34 0.00 0.00 72.50 71.78 1lm0 s THR 95 CO 0.02 0.09 0.33 -0.47 -0.54 0.00 0.00 174.62 174.05 1lm0 s TYR 96 N -1.09 -0.65 -0.40 3.99 6.14 -0.00 -1.74 117.35 123.60 1lm0 s TYR 96 Ca 0.15 0.62 -0.02 0.00 0.64 0.00 0.00 57.07 58.47 1lm0 s TYR 96 Cb -0.10 -0.11 0.20 0.00 0.42 0.00 0.00 41.96 42.37 1lm0 s TYR 96 CO 0.07 -0.69 2.23 -0.40 0.64 0.00 0.00 175.55 177.41 1lm0 n ASP 97 N 5.35 6.61 -3.57 4.32 5.75 -1.26 -0.68 116.55 133.08 1lm0 n ASP 97 Ca -0.04 -3.19 -0.02 0.00 -0.01 0.00 0.00 54.79 51.53 1lm0 n ASP 97 Cb 0.50 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 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 0.01 -0.06 0.86 -1.12 -1.08 -0.46 -4.74 116.67 110.07 1lm0 s ASP 98 Ca 0.42 -0.47 -0.11 0.00 -0.52 0.00 0.00 52.55 51.88 1lm0 s ASP 98 Cb 0.31 0.42 0.11 0.00 -1.46 0.00 0.00 42.92 42.30 1lm0 s ASP 98 CO -0.07 -0.80 1.09 -0.76 0.52 0.00 0.00 175.17 175.15 1lm0 s LEU 99 N -3.22 2.57 0.24 -1.34 1.02 -1.22 -4.50 118.68 112.24 1lm0 s LEU 99 Ca 0.18 1.69 0.09 0.00 0.02 0.00 0.00 54.13 56.11 1lm0 s LEU 99 Cb -0.01 -4.20 -0.04 0.00 0.02 0.00 0.00 46.19 41.96 1lm0 s LEU 99 CO 0.02 -2.50 -0.01 -0.76 0.02 0.00 0.00 176.35 173.12 1lm0 s LEU 100 N -6.18 3.20 0.00 1.79 1.43 -1.26 -5.11 118.68 112.55 1lm0 s LEU 100 Ca 0.63 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1lm0 s LEU 100 Cb -0.18 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1lm0 s LEU 100 CO 0.57 0.02 0.05 -0.81 0.23 0.00 0.00 176.35 176.41 1lm0 n PRO 101 N -0.69 0.00 -0.04 1.29 -0.04 -1.26 -4.06 135.00 130.19 1lm0 n PRO 101 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1lm0 n PRO 101 Cb 0.58 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 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 2.24 0.00 3.54 8.00 -1.26 -4.73 116.55 124.24 1lm0 n ASP 102 Ca 0.00 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1lm0 n ASP 102 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lm0 n LEU 103 N 0.79 0.25 -2.32 0.64 -0.00 -1.26 -3.42 117.00 111.68 1lm0 n LEU 103 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1lm0 n LEU 103 Cb 0.34 -0.52 -0.00 0.00 -0.00 0.00 0.00 43.42 43.24 1lm0 n LEU 103 CO 0.00 -0.12 -0.40 0.49 -0.00 0.00 0.00 177.39 177.35 1lm0 n PHE 104 N -0.86 -3.82 -1.49 1.47 3.72 -1.26 -4.91 117.46 110.31 1lm0 n PHE 104 Ca 0.00 2.27 -0.30 0.00 -0.05 0.00 0.00 57.45 59.37 1lm0 n PHE 104 Cb 0.00 -3.26 0.10 0.00 -0.94 0.00 0.00 39.48 35.38 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1lm0 s ARG 105 N -0.48 1.96 -1.54 -1.08 1.81 -1.22 -4.88 118.95 113.52 1lm0 s ARG 105 Ca -0.02 0.69 -0.09 0.00 -1.72 0.00 0.00 55.73 54.58 1lm0 s ARG 105 Cb 0.00 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 1lm0 s ARG 105 CO 0.05 -1.72 2.75 0.39 -0.68 0.00 0.00 175.30 176.10 1lm0 n GLU 106 N -3.51 3.82 0.00 3.54 4.71 -1.26 -3.36 120.64 124.59 1lm0 n GLU 106 Ca 0.07 -2.54 0.00 0.00 -0.01 0.00 0.00 57.16 54.69 1lm0 n GLU 106 Cb 0.56 -2.81 0.00 0.00 -1.01 0.00 0.00 31.44 28.18 1lm0 n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lm0 n GLY 107 N 3.21 0.69 3.78 0.62 0.00 -1.26 -4.06 105.19 108.18 1lm0 n GLY 107 Ca 0.72 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.17 2.36 -0.16 1.61 -2.07 -1.21 -4.83 119.66 114.19 1lm0 s GLN 108 Ca 0.00 -1.68 -0.07 0.00 -1.82 0.00 0.00 55.36 51.80 1lm0 s GLN 108 Cb 0.00 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 29.73 1lm0 s GLN 108 CO 0.00 -0.09 0.08 0.20 -1.32 0.00 0.00 175.29 174.16 1lm0 s GLY 109 N -3.96 1.97 0.22 2.60 0.00 -1.26 -0.79 107.32 106.09 1lm0 s GLY 109 Ca 0.42 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 44.36 1lm0 s GLY 109 CO 0.24 -0.13 0.28 -0.26 0.00 0.00 0.00 173.10 173.24 1lm0 s ILE 110 N -0.13 0.01 -0.02 0.90 -4.36 -0.02 -3.51 121.20 114.07 1lm0 s ILE 110 Ca 0.08 -1.72 0.05 0.00 -0.26 0.00 0.00 60.65 58.80 1lm0 s ILE 110 Cb -0.12 -2.33 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 1lm0 s ILE 110 CO 0.01 -0.03 -0.17 0.68 0.24 0.00 0.00 174.94 175.67 1lm0 s VAL 111 N -4.09 1.35 -0.00 8.37 -7.23 -1.17 -1.61 120.40 116.02 1lm0 s VAL 111 Ca 0.30 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.77 1lm0 s VAL 111 Cb 0.04 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 1lm0 s VAL 111 CO 0.10 0.38 -0.07 0.00 -0.31 0.00 0.00 175.10 175.21 1lm0 s ALA 112 N -0.37 0.55 0.02 1.32 0.00 0.43 -0.98 121.76 122.73 1lm0 s ALA 112 Ca 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1lm0 s ALA 112 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1lm0 s ALA 112 CO -0.00 0.13 -0.07 -1.14 0.00 0.00 0.00 175.76 174.68 1lm0 s GLN 113 N -0.17 0.51 0.00 0.00 -0.44 0.11 -0.10 119.66 119.57 1lm0 s GLN 113 Ca 0.02 -0.51 0.00 0.00 -2.50 0.00 0.00 55.36 52.37 1lm0 s GLN 113 Cb -0.03 -0.38 0.00 0.00 -1.64 0.00 0.00 33.01 30.96 1lm0 s GLN 113 CO -0.00 0.09 0.00 0.41 0.50 0.00 0.00 175.29 176.29 1lm0 n GLY 114 N 2.14 -1.67 3.52 2.59 0.00 -1.22 -1.12 105.19 109.43 1lm0 n GLY 114 Ca -0.18 0.78 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 1.15 0.00 0.31 1.61 0.11 -1.05 -4.43 120.40 118.10 1lm0 s VAL 115 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1lm0 s VAL 115 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1lm0 s VAL 115 CO 0.00 0.00 1.16 -0.76 -3.33 0.00 0.00 175.10 172.17 1lm0 s LEU 116 N -1.41 4.45 0.00 2.54 2.01 -0.00 -1.73 118.68 124.54 1lm0 s LEU 116 Ca -0.06 2.37 0.00 0.00 0.01 0.00 0.00 54.13 56.44 1lm0 s LEU 116 Cb -0.00 -3.71 0.00 0.00 0.01 0.00 0.00 46.19 42.48 1lm0 s LEU 116 CO 0.04 -0.32 0.49 0.61 1.01 0.00 0.00 176.35 178.18 1lm0 n GLY 117 N 0.98 0.82 2.71 -3.19 0.00 -1.23 -0.22 105.19 105.06 1lm0 n GLY 117 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lm0 n GLU 118 N 0.00 1.31 -2.69 1.61 1.02 -1.18 -5.00 120.64 115.71 1lm0 n GLU 118 Ca -0.03 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1lm0 n GLU 118 Cb 0.46 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1lm0 n GLU 118 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1lm0 n ASP 119 N -0.34 0.00 0.00 1.62 2.03 -1.26 -1.09 116.55 117.51 1lm0 n ASP 119 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1lm0 n ASP 119 Cb 0.82 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm0 n GLY 120 N -0.60 3.99 3.84 0.27 0.00 -1.26 -5.00 105.19 106.43 1lm0 n GLY 120 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 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 2.92 -0.13 1.61 3.01 -0.25 -4.52 119.74 122.39 1lm0 s LYS 121 Ca 0.00 -1.08 0.01 0.00 -1.01 0.00 0.00 55.97 53.90 1lm0 s LYS 121 Cb 0.00 -2.57 -0.01 0.00 -1.01 0.00 0.00 37.83 34.24 1lm0 s LYS 121 CO 0.00 0.35 -0.17 -0.51 0.51 0.00 0.00 175.35 175.52 1lm0 s LEU 122 N -3.88 2.45 -0.62 3.17 1.02 -1.24 -3.07 118.68 116.50 1lm0 s LEU 122 Ca 0.34 -0.44 -0.18 0.00 0.02 0.00 0.00 54.13 53.87 1lm0 s LEU 122 Cb -0.08 -1.53 0.12 0.00 0.02 0.00 0.00 46.19 44.72 1lm0 s LEU 122 CO 0.25 0.14 0.70 0.00 0.02 0.00 0.00 176.35 177.47 1lm0 s ALA 123 N 0.45 3.49 -0.40 4.21 0.00 -0.71 -0.91 121.76 127.90 1lm0 s ALA 123 Ca -0.12 -2.39 0.02 0.00 0.00 0.00 0.00 51.96 49.47 1lm0 s ALA 123 Cb -0.16 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.55 1lm0 s ALA 123 CO 0.05 -2.33 0.17 0.00 0.00 0.00 0.00 175.76 173.64 1lm0 s ALA 124 N 2.35 2.40 0.02 0.00 0.00 -0.71 -2.54 121.76 123.27 1lm0 s ALA 124 Ca 0.12 -2.49 0.02 0.00 0.00 0.00 0.00 51.96 49.61 1lm0 s ALA 124 Cb -0.23 -1.90 -0.25 0.00 0.00 0.00 0.00 23.12 20.74 1lm0 s ALA 124 CO 0.04 -1.88 0.92 0.00 0.00 0.00 0.00 175.76 174.85 1lm0 h THR 125 N 5.91 1.24 -1.99 0.00 1.03 -1.80 -3.43 112.91 113.85 1lm0 h THR 125 Ca -0.06 -2.93 -0.60 0.00 -0.01 0.00 0.00 66.41 62.81 1lm0 h THR 125 Cb 0.96 2.72 -0.11 0.00 -1.07 0.00 0.00 68.15 70.65 1lm0 h THR 125 CO 0.53 0.80 1.08 -0.70 -0.01 0.00 0.00 175.52 177.22 1lm0 s GLU 126 N -2.64 3.37 -0.07 0.00 2.56 -0.28 -4.91 118.70 116.74 1lm0 s GLU 126 Ca -0.06 -0.88 0.05 0.00 0.00 0.00 0.00 54.97 54.08 1lm0 s GLU 126 Cb 0.08 -4.70 -0.01 0.00 2.00 0.00 0.00 34.13 31.49 1lm0 s GLU 126 CO 0.84 -2.05 -0.22 0.14 -0.56 0.00 0.00 175.26 173.41 1lm0 s VAL 127 N 4.72 2.32 -0.36 3.70 -7.23 -1.26 0.08 120.40 122.36 1lm0 s VAL 127 Ca 0.36 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1lm0 s VAL 127 Cb -0.06 -1.87 0.10 0.00 0.56 0.00 0.00 36.38 35.10 1lm0 s VAL 127 CO 0.02 0.57 0.10 -0.76 -0.31 0.00 0.00 175.10 174.71 1lm0 s LEU 128 N -0.14 4.80 -0.55 1.32 2.01 -0.15 -4.93 118.68 121.05 1lm0 s LEU 128 Ca -0.04 -1.97 -0.28 0.00 0.01 0.00 0.00 54.13 51.85 1lm0 s LEU 128 Cb -0.14 -1.72 0.03 0.00 0.01 0.00 0.00 46.19 44.37 1lm0 s LEU 128 CO 0.04 -0.42 1.18 0.00 1.01 0.00 0.00 176.35 178.15 1lm0 s ALA 129 N 1.05 3.04 -0.34 4.21 0.00 -1.26 -3.03 121.76 125.43 1lm0 s ALA 129 Ca 0.07 -0.72 0.15 0.00 0.00 0.00 0.00 51.96 51.45 1lm0 s ALA 129 Cb -0.21 -4.00 0.43 0.00 0.00 0.00 0.00 23.12 19.35 1lm0 s ALA 129 CO -0.06 -2.55 1.29 0.36 0.00 0.00 0.00 175.76 174.81 1lm0 n LYS 130 N 8.28 1.35 -0.29 0.00 -0.00 -1.26 -5.00 118.16 121.23 1lm0 n LYS 130 Ca 0.10 -2.23 0.12 0.00 -0.00 0.00 0.00 58.31 56.29 1lm0 n LYS 130 Cb 0.49 -0.43 0.28 0.00 -0.00 0.00 0.00 35.03 35.37 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1lm0 h HIS 131 N 1.99 0.48 0.00 5.58 2.07 -1.87 -3.50 115.15 119.90 1lm0 h HIS 131 Ca -0.27 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 1lm0 h HIS 131 Cb 1.27 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1lm0 h HIS 131 CO 0.21 -0.11 0.00 -3.47 -3.07 0.00 0.00 177.93 171.49