#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 -0.35 0.01 -3.46 2.20 -1.26 -5.12 114.94 106.95 1lm0 s ASN 33 Ca 0.00 -0.10 0.04 0.00 -0.94 0.00 0.00 52.86 51.87 1lm0 s ASN 33 Cb 0.00 0.50 -0.01 0.00 -2.00 0.00 0.00 41.25 39.73 1lm0 s ASN 33 CO 0.00 -0.82 -0.13 -0.76 -2.94 0.00 0.00 177.10 172.45 1lm0 s LEU 34 N -2.49 2.07 -0.96 3.54 1.43 -1.26 -4.98 118.68 116.03 1lm0 s LEU 34 Ca -0.00 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1lm0 s LEU 34 Cb 0.00 -0.65 0.15 0.00 0.03 0.00 0.00 46.19 45.72 1lm0 s LEU 34 CO -0.08 0.12 1.14 0.20 0.23 0.00 0.00 176.35 177.96 1lm0 s ASN 35 N -0.57 6.71 0.31 2.29 -0.87 -1.26 -4.63 114.94 116.91 1lm0 s ASN 35 Ca 0.04 -2.25 0.11 0.00 -1.57 0.00 0.00 52.86 49.19 1lm0 s ASN 35 Cb -0.06 -2.38 -0.06 0.00 -0.02 0.00 0.00 41.25 38.73 1lm0 s ASN 35 CO 0.00 -0.97 -0.14 -1.48 -2.57 0.00 0.00 177.10 171.94 1lm0 s LEU 36 N 2.28 2.68 -0.14 0.60 2.34 -1.26 -4.87 118.68 120.31 1lm0 s LEU 36 Ca 0.33 -1.07 -0.25 0.00 0.06 0.00 0.00 54.13 53.20 1lm0 s LEU 36 Cb -0.05 -1.10 -0.02 0.00 -0.56 0.00 0.00 46.19 44.46 1lm0 s LEU 36 CO -0.08 -0.06 0.79 -0.36 -1.06 0.00 0.00 176.35 175.58 1lm0 s PHE 37 N -2.54 3.46 0.25 3.48 0.08 -1.26 -0.60 117.98 120.84 1lm0 s PHE 37 Ca 0.31 1.24 0.09 0.00 0.12 0.00 0.00 56.93 58.69 1lm0 s PHE 37 Cb -0.02 -2.95 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 1lm0 s PHE 37 CO 0.16 -0.16 -0.14 0.71 -0.10 0.00 0.00 175.22 175.69 1lm0 s TYR 38 N 1.80 1.95 -0.11 0.36 2.02 0.60 -4.94 117.35 119.03 1lm0 s TYR 38 Ca 0.38 -0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 56.28 1lm0 s TYR 38 Cb -0.17 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 1lm0 s TYR 38 CO 0.14 0.45 0.87 0.99 -1.57 0.00 0.00 175.55 176.44 1lm0 s THR 39 N -2.84 4.88 0.28 -0.71 2.01 -1.26 -0.73 115.64 117.28 1lm0 s THR 39 Ca 0.26 1.76 0.02 0.00 0.31 0.00 0.00 61.69 64.05 1lm0 s THR 39 Cb -0.01 -4.19 0.28 0.00 0.01 0.00 0.00 72.50 68.59 1lm0 s THR 39 CO 0.11 0.08 1.70 -0.65 -0.69 0.00 0.00 174.62 175.16 1lm0 h PRO 40 N 7.10 0.38 -0.67 4.92 0.11 -1.87 0.11 132.00 142.08 1lm0 h PRO 40 Ca -0.33 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.90 1lm0 h PRO 40 Cb 1.16 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1lm0 h PRO 40 CO 0.82 0.25 0.46 0.77 -0.21 0.00 0.00 178.00 180.08 1lm0 h SER 41 N 0.39 0.29 0.00 -2.05 0.02 -1.90 0.68 113.55 110.99 1lm0 h SER 41 Ca 0.54 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1lm0 h SER 41 Cb 1.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1lm0 h SER 41 CO -0.52 0.15 0.00 1.21 -1.14 0.00 0.00 176.83 176.53 1lm0 n GLU 42 N -4.45 0.87 0.00 3.45 4.07 0.38 -2.68 120.64 122.27 1lm0 n GLU 42 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1lm0 n GLU 42 Cb 0.52 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.55 1lm0 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1lm0 n ILE 43 N -0.85 0.31 -0.13 6.31 -5.35 0.22 -4.69 119.36 115.18 1lm0 n ILE 43 Ca 0.15 -0.61 -0.27 0.00 -0.27 0.00 0.00 62.75 61.74 1lm0 n ILE 43 Cb 0.07 0.90 -0.11 0.00 -1.74 0.00 0.00 39.64 38.76 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 -0.15 1.53 -3.42 7.28 0.31 -1.09 -1.00 118.33 121.78 1lm0 n VAL 44 Ca 0.00 -0.35 -0.44 0.00 -0.01 0.00 0.00 64.34 63.54 1lm0 n VAL 44 Cb 0.10 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.13 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 -7.31 6.38 -0.41 4.52 0.01 -1.23 -4.47 114.94 112.43 1lm0 s ASN 45 Ca -0.37 -2.69 -0.00 0.00 -0.71 0.00 0.00 52.86 49.09 1lm0 s ASN 45 Cb 0.13 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.66 1lm0 s ASN 45 CO 0.52 -0.54 0.34 0.61 -1.51 0.00 0.00 177.10 176.53 1lm0 n GLY 46 N 3.91 0.22 0.00 0.66 0.00 -1.26 -5.02 105.19 103.69 1lm0 n GLY 46 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.04 0.00 -0.30 1.61 4.01 -1.26 -4.69 118.16 115.50 1lm0 n LYS 47 Ca -0.08 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.78 1lm0 n LYS 47 Cb 0.55 0.00 0.16 0.00 -0.51 0.00 0.00 35.03 35.24 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 0.19 -0.96 -0.18 2.02 -1.75 0.37 112.91 112.59 1lm0 h THR 48 Ca 0.00 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.30 1lm0 h THR 48 Cb 0.00 0.14 -0.15 0.00 -1.74 0.00 0.00 68.15 66.41 1lm0 h THR 48 CO 0.00 0.01 -0.41 -0.67 0.37 0.00 0.00 175.52 174.82 1lm0 n ASP 49 N -5.47 -0.69 0.04 4.18 -0.08 -0.17 -1.58 116.55 112.78 1lm0 n ASP 49 Ca 0.15 1.68 0.11 0.00 -1.51 0.00 0.00 54.79 55.22 1lm0 n ASP 49 Cb 0.52 -0.36 0.02 0.00 2.34 0.00 0.00 41.12 43.64 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 -5.37 0.26 -1.97 5.18 -1.04 0.20 -4.27 114.28 107.27 1lm0 n THR 50 Ca 0.08 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 1lm0 n THR 50 Cb 0.36 0.06 -0.02 0.00 -1.82 0.00 0.00 70.33 68.90 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 1.32 0.31 0.16 3.41 0.00 0.10 -4.92 105.19 105.59 1lm0 n GLY 51 Ca 0.01 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1lm0 n GLY 51 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1lm0 h VAL 52 N 0.00 0.61 0.00 1.61 -1.51 -1.86 -3.43 116.25 111.67 1lm0 h VAL 52 Ca -0.29 -1.86 0.00 0.00 -1.23 0.00 0.00 66.70 63.32 1lm0 h VAL 52 Cb 1.10 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1lm0 h VAL 52 CO 0.36 0.35 0.00 0.29 -1.23 0.00 0.00 177.57 177.34 1lm0 n LYS 53 N -3.19 0.00 -2.32 5.19 4.76 -1.26 -5.02 118.16 116.32 1lm0 n LYS 53 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 1lm0 n LYS 53 Cb 0.68 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.84 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 -0.40 4.19 0.50 1.97 0.04 -1.26 -5.01 135.00 135.03 1lm0 s PRO 54 Ca 0.00 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.59 1lm0 s PRO 54 Cb 0.00 -3.83 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 1lm0 s PRO 54 CO 0.00 -0.78 1.10 -1.83 0.04 0.00 0.00 177.00 175.53 1lm0 s GLU 55 N 3.70 3.60 0.46 4.56 -1.05 -1.26 -4.54 118.70 124.17 1lm0 s GLU 55 Ca 0.59 1.56 -0.22 0.00 -0.15 0.00 0.00 54.97 56.75 1lm0 s GLU 55 Cb -0.24 -2.13 -0.08 0.00 -0.44 0.00 0.00 34.13 31.24 1lm0 s GLU 55 CO 0.19 -0.63 1.12 0.00 0.95 0.00 0.00 175.26 176.88 1lm0 s ALA 56 N -1.79 2.95 0.00 -0.84 0.00 -1.26 -3.93 121.76 116.89 1lm0 s ALA 56 Ca 0.69 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1lm0 s ALA 56 Cb -0.22 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1lm0 s ALA 56 CO 0.26 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1lm0 n GLY 57 N 0.29 0.80 3.84 0.00 0.00 0.11 -4.82 105.19 105.41 1lm0 n GLY 57 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.41 3.17 -0.14 1.61 -0.21 -1.25 -4.78 119.66 117.63 1lm0 s GLN 58 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 55.36 54.62 1lm0 s GLN 58 Cb 0.00 -2.90 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1lm0 s GLN 58 CO 0.00 0.60 0.71 1.03 -2.12 0.00 0.00 175.29 175.52 1lm0 s ARG 59 N -2.29 4.32 0.29 2.91 0.52 -1.26 -0.64 118.95 122.79 1lm0 s ARG 59 Ca 0.30 0.82 0.03 0.00 -0.52 0.00 0.00 55.73 56.37 1lm0 s ARG 59 Cb -0.12 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 1lm0 s ARG 59 CO 0.23 -0.15 0.26 0.96 0.02 0.00 0.00 175.30 176.61 1lm0 s ILE 60 N 1.58 0.00 -0.06 1.52 -4.36 -1.26 -4.37 121.20 114.24 1lm0 s ILE 60 Ca 0.34 -1.94 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1lm0 s ILE 60 Cb -0.17 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1lm0 s ILE 60 CO 0.14 0.00 -0.19 -0.13 0.24 0.00 0.00 174.94 175.00 1lm0 s ARG 61 N -3.64 2.13 -0.17 0.37 0.52 0.23 -3.28 118.95 115.10 1lm0 s ARG 61 Ca 0.39 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1lm0 s ARG 61 Cb 0.03 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1lm0 s ARG 61 CO 0.22 0.20 0.08 0.54 0.02 0.00 0.00 175.30 176.35 1lm0 s VAL 62 N 0.21 4.92 -0.20 3.52 0.11 0.83 -0.29 120.40 129.50 1lm0 s VAL 62 Ca -0.09 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1lm0 s VAL 62 Cb -0.14 -3.21 0.05 0.00 -1.53 0.00 0.00 36.38 31.55 1lm0 s VAL 62 CO 0.04 0.48 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.40 1lm0 s GLY 63 N 0.15 1.14 0.00 6.54 0.00 0.09 -0.48 107.32 114.76 1lm0 s GLY 63 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1lm0 s GLY 63 CO 0.00 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.60 1lm0 n GLY 64 N 4.76 2.81 3.50 0.20 0.00 -1.18 -4.21 105.19 111.07 1lm0 n GLY 64 Ca -0.13 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.46 3.60 0.42 1.61 0.23 -0.10 -2.36 119.30 121.24 1lm0 s MET 65 Ca 0.00 -0.53 -0.25 0.00 -1.03 0.00 0.00 55.69 53.88 1lm0 s MET 65 Cb 0.00 -2.88 -0.08 0.00 -1.53 0.00 0.00 34.83 30.34 1lm0 s MET 65 CO 0.00 0.27 1.26 0.08 -2.03 0.00 0.00 175.02 174.60 1lm0 s VAL 66 N 0.28 2.77 0.01 5.16 1.01 -0.06 -1.05 120.40 128.51 1lm0 s VAL 66 Ca -0.04 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 1lm0 s VAL 66 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1lm0 s VAL 66 CO 0.03 0.07 1.09 0.00 0.00 0.00 0.00 175.10 176.29 1lm0 h THR 67 N 2.29 0.00 0.00 3.92 1.03 -1.89 -3.36 112.91 114.90 1lm0 h THR 67 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1lm0 h THR 67 Cb 1.25 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1lm0 h THR 67 CO 0.62 0.00 0.00 0.55 -0.01 0.00 0.00 175.52 176.68 1lm0 n VAL 68 N -2.59 0.00 -2.75 0.00 3.14 -1.26 -4.48 118.33 110.38 1lm0 n VAL 68 Ca -0.03 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.33 1lm0 n VAL 68 Cb 0.08 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.93 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 0.00 1.75 0.20 7.55 0.00 -1.26 -4.26 105.19 109.17 1lm0 n GLY 69 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.23 1lm0 n GLY 69 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lm0 h SER 70 N 2.26 0.08 -2.18 1.61 0.02 -1.94 -3.44 113.55 109.95 1lm0 h SER 70 Ca -0.22 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.14 1lm0 h SER 70 Cb 1.26 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1lm0 h SER 70 CO 0.13 0.40 1.39 -0.32 -1.14 0.00 0.00 176.83 177.30 1lm0 s MET 71 N -4.31 3.41 -0.16 3.45 1.75 -1.26 -4.12 119.30 118.07 1lm0 s MET 71 Ca -0.04 2.09 0.01 0.00 -1.25 0.00 0.00 55.69 56.50 1lm0 s MET 71 Cb 0.15 -4.29 0.02 0.00 2.84 0.00 0.00 34.83 33.55 1lm0 s MET 71 CO 0.73 -1.78 -0.16 0.14 -0.65 0.00 0.00 175.02 173.30 1lm0 s VAL 72 N 7.14 1.74 -0.01 10.11 -7.23 -0.48 -5.03 120.40 126.64 1lm0 s VAL 72 Ca 0.94 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1lm0 s VAL 72 Cb -0.34 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1lm0 s VAL 72 CO 0.36 0.49 -0.01 0.00 -0.31 0.00 0.00 175.10 175.62 1lm0 s ARG 73 N 1.41 2.76 0.13 4.82 3.03 -1.26 -0.98 118.95 128.85 1lm0 s ARG 73 Ca 0.05 -0.61 0.01 0.00 2.03 0.00 0.00 55.73 57.20 1lm0 s ARG 73 Cb -0.13 -2.65 -0.04 0.00 -1.03 0.00 0.00 34.95 31.11 1lm0 s ARG 73 CO -0.11 0.63 0.28 -0.51 -1.13 0.00 0.00 175.30 174.46 1lm0 s ASP 74 N -1.45 6.36 0.00 -2.89 1.01 -0.14 -4.98 116.67 114.58 1lm0 s ASP 74 Ca 0.18 0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1lm0 s ASP 74 Cb -0.11 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.86 1lm0 s ASP 74 CO 0.09 0.07 1.37 -0.81 0.21 0.00 0.00 175.17 176.09 1lm0 n PRO 75 N -0.27 0.77 -0.06 8.23 -0.04 -1.26 -2.99 135.00 139.39 1lm0 n PRO 75 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 1lm0 n PRO 75 Cb 0.53 -1.11 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.39 1.39 0.00 3.54 3.02 -1.26 -5.01 115.26 118.32 1lm0 n ASN 76 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1lm0 n ASN 76 Cb 0.39 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -3.18 0.00 -0.53 6.41 7.64 -1.16 -4.89 113.62 117.91 1lm0 n SER 77 Ca -0.32 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.62 1lm0 n SER 77 Cb 1.06 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.44 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 2.54 -3.73 -3.43 -0.00 -1.26 -4.21 117.00 106.90 1lm0 n LEU 78 Ca 0.00 -3.64 -0.25 0.00 -0.00 0.00 0.00 56.01 52.12 1lm0 n LEU 78 Cb 0.00 -0.48 -0.17 0.00 -0.00 0.00 0.00 43.42 42.77 1lm0 n LEU 78 CO 0.00 1.22 -0.37 -1.00 -0.00 0.00 0.00 177.39 177.25 1lm0 s HIS 79 N -3.00 0.70 -0.12 1.47 3.76 -1.26 -3.74 115.29 113.10 1lm0 s HIS 79 Ca 0.36 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1lm0 s HIS 79 Cb 0.35 -0.85 0.06 0.00 1.11 0.00 0.00 32.58 33.25 1lm0 s HIS 79 CO -0.05 -0.44 0.16 0.14 -0.85 0.00 0.00 174.74 173.70 1lm0 s VAL 80 N 1.96 -0.24 0.12 -0.90 -7.23 -0.10 -0.97 120.40 113.04 1lm0 s VAL 80 Ca 0.03 0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.43 1lm0 s VAL 80 Cb -0.14 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 1lm0 s VAL 80 CO -0.06 0.01 -0.14 0.00 -0.31 0.00 0.00 175.10 174.59 1lm0 s GLN 81 N 2.27 1.02 -0.13 4.82 -2.07 -0.15 -0.29 119.66 125.12 1lm0 s GLN 81 Ca 0.04 -1.22 -0.24 0.00 -1.82 0.00 0.00 55.36 52.11 1lm0 s GLN 81 Cb -0.13 -0.92 0.06 0.00 -1.09 0.00 0.00 33.01 30.93 1lm0 s GLN 81 CO -0.08 0.18 0.60 -0.59 -1.32 0.00 0.00 175.29 174.09 1lm0 s PHE 82 N -2.05 -0.61 0.43 9.60 -0.12 -0.38 -1.38 117.98 123.47 1lm0 s PHE 82 Ca 0.08 1.27 -0.06 0.00 -0.05 0.00 0.00 56.93 58.17 1lm0 s PHE 82 Cb -0.05 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1lm0 s PHE 82 CO 0.03 -0.45 0.74 0.00 -0.05 0.00 0.00 175.22 175.49 1lm0 s ALA 83 N -0.49 3.44 0.01 1.99 0.00 -1.26 -0.96 121.76 124.49 1lm0 s ALA 83 Ca -0.06 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1lm0 s ALA 83 Cb -0.03 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1lm0 s ALA 83 CO 0.05 -0.16 0.03 0.54 0.00 0.00 0.00 175.76 176.22 1lm0 s VAL 84 N -2.53 0.09 0.13 0.00 0.11 0.10 -4.49 120.40 113.81 1lm0 s VAL 84 Ca 0.47 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1lm0 s VAL 84 Cb -0.10 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1lm0 s VAL 84 CO 0.39 -0.43 0.04 0.00 -3.33 0.00 0.00 175.10 171.77 1lm0 n HIS 85 N 1.63 0.10 -4.39 1.54 1.44 -0.22 -0.98 115.22 114.35 1lm0 n HIS 85 Ca -0.23 -0.79 -0.20 0.00 -2.01 0.00 0.00 57.72 54.49 1lm0 n HIS 85 Cb 0.55 -0.02 -0.06 0.00 0.12 0.00 0.00 29.99 30.59 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 -1.74 1.03 -0.20 4.39 -0.08 -1.26 -0.92 116.55 117.77 1lm0 n ASP 86 Ca -0.03 -2.76 0.07 0.00 -1.51 0.00 0.00 54.79 50.56 1lm0 n ASP 86 Cb 0.19 0.87 0.34 0.00 2.34 0.00 0.00 41.12 44.87 1lm0 n ASP 86 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1lm0 h SER 87 N 1.34 0.69 0.00 1.67 0.02 -1.98 -3.38 113.55 111.90 1lm0 h SER 87 Ca -0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1lm0 h SER 87 Cb 0.98 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1lm0 h SER 87 CO 0.40 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.70 1lm0 n LEU 88 N -4.48 0.13 -2.00 5.07 7.99 -1.26 -5.00 117.00 117.45 1lm0 n LEU 88 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.08 1lm0 n LEU 88 Cb 0.24 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.61 1lm0 n LEU 88 CO 0.33 0.00 0.50 0.61 -1.51 0.00 0.00 177.39 177.32 1lm0 n GLY 89 N 2.97 1.28 1.81 -0.72 0.00 -1.26 -5.00 105.19 104.26 1lm0 n GLY 89 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.92 2.84 3.61 -0.02 0.00 -1.26 -4.87 105.19 104.57 1lm0 n GLY 90 Ca -0.19 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 0.56 3.36 0.04 1.61 2.12 -1.26 -4.12 118.70 121.00 1lm0 s GLU 91 Ca 0.41 1.92 -0.01 0.00 0.36 0.00 0.00 54.97 57.65 1lm0 s GLU 91 Cb 0.20 -4.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.28 1lm0 s GLU 91 CO -0.00 -1.84 -0.02 -1.50 -0.54 0.00 0.00 175.26 171.36 1lm0 s ILE 92 N 7.25 0.18 -0.10 -3.70 1.10 -0.15 -4.94 121.20 120.83 1lm0 s ILE 92 Ca 0.92 -1.48 0.04 0.00 -0.51 0.00 0.00 60.65 59.62 1lm0 s ILE 92 Cb -0.31 -1.09 0.00 0.00 0.15 0.00 0.00 42.46 41.21 1lm0 s ILE 92 CO 0.35 -0.81 -0.24 -0.76 -2.11 0.00 0.00 174.94 171.37 1lm0 s LEU 93 N -2.42 2.10 0.03 8.50 1.43 -1.26 -0.72 118.68 126.34 1lm0 s LEU 93 Ca -0.01 -0.56 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1lm0 s LEU 93 Cb 0.02 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1lm0 s LEU 93 CO -0.07 0.15 -0.25 0.68 0.23 0.00 0.00 176.35 177.09 1lm0 s VAL 94 N 0.37 2.04 -0.10 -1.59 -7.23 -0.14 -2.34 120.40 111.42 1lm0 s VAL 94 Ca -0.18 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1lm0 s VAL 94 Cb -0.18 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1lm0 s VAL 94 CO 0.08 0.41 -0.15 0.42 -0.31 0.00 0.00 175.10 175.54 1lm0 s THR 95 N -0.74 2.89 -0.06 5.32 -4.23 0.03 -1.25 115.64 117.60 1lm0 s THR 95 Ca 0.11 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1lm0 s THR 95 Cb -0.10 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.59 1lm0 s THR 95 CO 0.01 0.55 -0.11 -0.47 -0.54 0.00 0.00 174.62 174.06 1lm0 s TYR 96 N -0.04 1.31 -0.23 3.99 6.14 0.60 -2.74 117.35 126.37 1lm0 s TYR 96 Ca -0.04 -0.45 0.11 0.00 0.64 0.00 0.00 57.07 57.34 1lm0 s TYR 96 Cb -0.14 -0.97 0.44 0.00 0.42 0.00 0.00 41.96 41.71 1lm0 s TYR 96 CO 0.04 -0.23 1.20 -0.40 0.64 0.00 0.00 175.55 176.80 1lm0 n ASP 97 N 3.73 2.83 -2.70 4.32 5.75 -1.26 -0.92 116.55 128.30 1lm0 n ASP 97 Ca -0.22 -3.65 -0.07 0.00 -0.01 0.00 0.00 54.79 50.83 1lm0 n ASP 97 Cb 0.52 -0.44 0.09 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.85 -1.93 -0.19 -1.12 -0.08 -1.25 -4.77 116.55 106.37 1lm0 n ASP 98 Ca 0.27 -2.80 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1lm0 n ASP 98 Cb 0.83 1.39 0.00 0.00 2.34 0.00 0.00 41.12 45.67 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 -0.11 0.00 -3.78 -2.67 4.32 -1.26 -4.94 117.00 108.55 1lm0 n LEU 99 Ca -0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.86 1lm0 n LEU 99 Cb 0.76 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.49 1lm0 n LEU 99 CO -0.04 -0.53 -0.01 -0.76 -1.22 0.00 0.00 177.39 174.82 1lm0 s LEU 100 N 0.00 1.05 0.00 2.23 1.43 -1.26 -4.89 118.68 117.24 1lm0 s LEU 100 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1lm0 s LEU 100 Cb 0.00 1.24 0.00 0.00 0.03 0.00 0.00 46.19 47.46 1lm0 s LEU 100 CO 0.00 -0.63 0.54 -0.81 0.23 0.00 0.00 176.35 175.68 1lm0 n PRO 101 N 0.48 0.00 -1.98 1.29 -0.04 -1.26 -4.15 135.00 129.34 1lm0 n PRO 101 Ca -0.18 0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 63.28 1lm0 n PRO 101 Cb 0.60 -1.16 0.03 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.54 6.66 -1.61 3.54 9.92 -1.26 -4.88 116.55 127.39 1lm0 n ASP 102 Ca 0.00 -3.80 -0.02 0.00 -0.53 0.00 0.00 54.79 50.45 1lm0 n ASP 102 Cb 0.00 -0.85 -0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1lm0 n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lm0 n LEU 103 N -0.60 -0.14 -2.79 0.64 -0.00 -1.26 -2.99 117.00 109.86 1lm0 n LEU 103 Ca 0.51 0.20 -0.03 0.00 -0.00 0.00 0.00 56.01 56.70 1lm0 n LEU 103 Cb 0.46 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 42.98 1lm0 n LEU 103 CO 0.50 -0.06 -0.48 0.33 -0.00 0.00 0.00 177.39 177.68 1lm0 n PHE 104 N -1.70 -3.00 -2.45 1.47 7.35 -1.26 -4.87 117.46 113.00 1lm0 n PHE 104 Ca -0.02 1.62 -0.43 0.00 -0.76 0.00 0.00 57.45 57.86 1lm0 n PHE 104 Cb 0.23 -3.05 -0.02 0.00 0.35 0.00 0.00 39.48 36.99 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 -0.80 4.31 0.72 -4.13 0.52 -1.16 -4.91 118.95 113.49 1lm0 s ARG 105 Ca -0.13 1.67 -0.09 0.00 -0.52 0.00 0.00 55.73 56.65 1lm0 s ARG 105 Cb 0.01 -3.63 0.05 0.00 0.52 0.00 0.00 34.95 31.89 1lm0 s ARG 105 CO 0.55 -0.55 1.06 -1.21 0.02 0.00 0.00 175.30 175.17 1lm0 s GLU 106 N 2.70 2.37 -1.51 3.54 8.01 -1.26 -4.30 118.70 128.24 1lm0 s GLU 106 Ca 0.55 0.02 -0.06 0.00 0.01 0.00 0.00 54.97 55.50 1lm0 s GLU 106 Cb -0.24 -2.09 0.02 0.00 -4.31 0.00 0.00 34.13 27.51 1lm0 s GLU 106 CO 0.19 -1.22 0.64 0.41 0.01 0.00 0.00 175.26 175.29 1lm0 n GLY 107 N -3.00 -0.52 3.71 -1.39 0.00 -1.26 -4.97 105.19 97.77 1lm0 n GLY 107 Ca 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -5.80 2.08 -0.03 1.61 -2.07 -1.26 -4.99 119.66 109.20 1lm0 s GLN 108 Ca 0.34 -1.49 -0.13 0.00 -1.82 0.00 0.00 55.36 52.26 1lm0 s GLN 108 Cb -0.16 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1lm0 s GLN 108 CO 0.42 -0.94 0.35 0.20 -1.32 0.00 0.00 175.29 174.00 1lm0 s GLY 109 N -3.10 2.41 0.03 2.60 0.00 -1.26 -0.89 107.32 107.11 1lm0 s GLY 109 Ca 0.20 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 1lm0 s GLY 109 CO 0.14 0.05 0.06 -0.26 0.00 0.00 0.00 173.10 173.08 1lm0 s ILE 110 N -1.03 0.13 -0.14 0.90 -5.25 -1.00 -4.32 121.20 110.50 1lm0 s ILE 110 Ca 0.22 -1.08 0.00 0.00 -0.99 0.00 0.00 60.65 58.80 1lm0 s ILE 110 Cb -0.16 -0.77 -0.01 0.00 2.95 0.00 0.00 42.46 44.47 1lm0 s ILE 110 CO 0.11 -0.60 -0.14 0.68 -1.79 0.00 0.00 174.94 173.20 1lm0 s VAL 111 N -2.36 2.87 -0.05 8.37 -7.23 -0.40 -3.09 120.40 118.51 1lm0 s VAL 111 Ca -0.07 -0.72 0.06 0.00 -1.81 0.00 0.00 61.98 59.44 1lm0 s VAL 111 Cb -0.03 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1lm0 s VAL 111 CO -0.04 0.52 -0.24 0.00 -0.31 0.00 0.00 175.10 175.03 1lm0 s ALA 112 N 0.55 2.20 0.01 1.32 0.00 0.36 -0.51 121.76 125.69 1lm0 s ALA 112 Ca -0.09 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1lm0 s ALA 112 Cb -0.16 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1lm0 s ALA 112 CO 0.04 0.43 -0.05 -1.14 0.00 0.00 0.00 175.76 175.03 1lm0 s GLN 113 N -0.23 0.41 0.00 0.00 -0.44 0.10 -0.12 119.66 119.39 1lm0 s GLN 113 Ca -0.02 -0.40 0.00 0.00 -2.50 0.00 0.00 55.36 52.44 1lm0 s GLN 113 Cb -0.13 -0.29 0.00 0.00 -1.64 0.00 0.00 33.01 30.95 1lm0 s GLN 113 CO 0.03 0.07 0.00 0.41 0.50 0.00 0.00 175.29 176.30 1lm0 n GLY 114 N 2.34 -1.37 3.30 2.59 0.00 -1.21 -0.46 105.19 110.38 1lm0 n GLY 114 Ca -0.17 0.73 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 1.37 0.02 0.50 1.61 0.11 0.15 -4.12 120.40 120.04 1lm0 s VAL 115 Ca 0.00 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 1lm0 s VAL 115 Cb 0.00 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.14 1lm0 s VAL 115 CO 0.00 -0.11 0.99 -0.76 -3.33 0.00 0.00 175.10 171.89 1lm0 s LEU 116 N -0.57 3.70 0.05 2.54 1.02 0.18 -0.28 118.68 125.33 1lm0 s LEU 116 Ca -0.07 1.68 0.00 0.00 0.02 0.00 0.00 54.13 55.76 1lm0 s LEU 116 Cb -0.04 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.65 1lm0 s LEU 116 CO 0.03 -0.65 0.00 0.61 0.02 0.00 0.00 176.35 176.36 1lm0 n GLY 117 N -1.11 -0.67 3.71 -3.19 0.00 -1.25 0.05 105.19 102.73 1lm0 n GLY 117 Ca 0.07 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 1.87 -1.30 1.61 2.02 -1.21 -4.75 118.70 114.93 1lm0 s GLU 118 Ca 0.00 1.71 -0.18 0.00 0.02 0.00 0.00 54.97 56.52 1lm0 s GLU 118 Cb 0.00 -1.81 0.06 0.00 0.10 0.00 0.00 34.13 32.48 1lm0 s GLU 118 CO 0.00 -2.03 1.79 -3.47 0.02 0.00 0.00 175.26 171.57 1lm0 n ASP 119 N -3.10 4.73 0.00 -0.19 2.03 -1.26 -3.28 116.55 115.49 1lm0 n ASP 119 Ca 0.13 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1lm0 n ASP 119 Cb 0.51 -1.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 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 5.31 0.97 3.36 0.27 0.00 -1.26 -5.02 105.19 108.81 1lm0 n GLY 120 Ca 0.49 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.29 1.34 -0.06 1.61 3.01 -1.20 -4.61 119.74 119.53 1lm0 s LYS 121 Ca 0.00 -1.43 0.04 0.00 -1.01 0.00 0.00 55.97 53.57 1lm0 s LYS 121 Cb 0.00 -1.48 -0.02 0.00 -1.01 0.00 0.00 37.83 35.32 1lm0 s LYS 121 CO 0.00 0.31 -0.18 -0.51 0.51 0.00 0.00 175.35 175.48 1lm0 s LEU 122 N -2.64 2.51 -1.14 3.17 2.01 -0.99 -3.32 118.68 118.27 1lm0 s LEU 122 Ca 0.17 -0.31 -0.13 0.00 0.01 0.00 0.00 54.13 53.87 1lm0 s LEU 122 Cb -0.07 -1.50 0.20 0.00 0.01 0.00 0.00 46.19 44.84 1lm0 s LEU 122 CO 0.08 0.30 1.28 0.00 1.01 0.00 0.00 176.35 179.02 1lm0 s ALA 123 N -0.48 4.19 -0.03 4.21 0.00 0.61 -0.79 121.76 129.47 1lm0 s ALA 123 Ca 0.06 -3.46 -0.19 0.00 0.00 0.00 0.00 51.96 48.36 1lm0 s ALA 123 Cb -0.12 -3.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 1lm0 s ALA 123 CO 0.01 -2.59 0.54 0.00 0.00 0.00 0.00 175.76 173.72 1lm0 s ALA 124 N 0.71 3.51 0.00 0.00 0.00 -1.11 -0.68 121.76 124.20 1lm0 s ALA 124 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1lm0 s ALA 124 Cb -0.06 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1lm0 s ALA 124 CO -0.04 0.16 0.00 -2.37 0.00 0.00 0.00 175.76 173.51 1lm0 n THR 125 N 2.87 0.00 -3.43 0.00 5.66 0.39 -4.19 114.28 115.59 1lm0 n THR 125 Ca -0.08 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.49 1lm0 n THR 125 Cb 0.51 0.01 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 1lm0 n THR 125 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1lm0 s GLU 126 N -1.26 2.89 -0.15 1.09 2.56 0.27 -4.98 118.70 119.12 1lm0 s GLU 126 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 53.53 1lm0 s GLU 126 Cb 0.00 -4.08 0.00 0.00 2.00 0.00 0.00 34.13 32.05 1lm0 s GLU 126 CO 0.00 -1.06 -0.16 0.14 -0.56 0.00 0.00 175.26 173.62 1lm0 s VAL 127 N 1.58 2.59 -0.25 3.70 -7.23 -1.26 0.00 120.40 119.53 1lm0 s VAL 127 Ca 0.04 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 1lm0 s VAL 127 Cb -0.25 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 34.65 1lm0 s VAL 127 CO 0.05 0.52 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.50 1lm0 s LEU 128 N 0.83 3.30 -0.58 1.32 2.01 0.33 -4.84 118.68 121.05 1lm0 s LEU 128 Ca -0.05 -1.20 0.01 0.00 0.01 0.00 0.00 54.13 52.89 1lm0 s LEU 128 Cb -0.15 -1.58 0.44 0.00 0.01 0.00 0.00 46.19 44.90 1lm0 s LEU 128 CO -0.01 -0.17 1.76 0.00 1.01 0.00 0.00 176.35 178.95 1lm0 n ALA 129 N 4.52 5.96 -1.04 4.21 0.00 -1.26 -1.27 120.51 131.62 1lm0 n ALA 129 Ca -0.15 -3.70 -0.19 0.00 0.00 0.00 0.00 53.44 49.40 1lm0 n ALA 129 Cb 0.44 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 1lm0 n ALA 129 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1lm0 n LYS 130 N -0.79 2.37 0.02 0.00 0.00 -1.26 -4.52 118.16 113.98 1lm0 n LYS 130 Ca 0.55 -1.28 -0.11 0.00 -0.00 0.00 0.00 58.31 57.47 1lm0 n LYS 130 Cb 0.68 -2.20 -0.08 0.00 -0.00 0.00 0.00 35.03 33.43 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1lm0 h HIS 131 N 3.66 -0.13 0.00 5.58 2.76 -1.90 -3.51 115.15 121.61 1lm0 h HIS 131 Ca 0.36 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1lm0 h HIS 131 Cb 1.14 0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1lm0 h HIS 131 CO 1.80 0.38 0.00 -0.25 -1.30 0.00 0.00 177.93 178.55