#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 h ASN 33 N 0.00 0.00 -3.71 6.43 7.08 -2.06 -3.48 115.58 119.85 1lm0 h ASN 33 Ca 0.00 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.09 1lm0 h ASN 33 Cb 0.00 0.00 0.08 0.00 -2.08 0.00 0.00 38.32 36.32 1lm0 h ASN 33 CO 0.00 0.00 -0.34 -0.11 -2.08 0.00 0.00 177.43 174.90 1lm0 n LEU 34 N -2.54 -3.08 -3.84 6.14 0.00 -1.26 -4.62 117.00 107.80 1lm0 n LEU 34 Ca 0.03 -0.28 -0.35 0.00 0.00 0.00 0.00 56.01 55.42 1lm0 n LEU 34 Cb 0.36 -1.63 -0.05 0.00 0.00 0.00 0.00 43.42 42.10 1lm0 n LEU 34 CO 0.27 0.12 0.48 -0.46 0.00 0.00 0.00 177.39 177.81 1lm0 n ASN 35 N -2.01 4.70 -4.58 1.96 6.94 -1.26 -4.41 115.26 116.61 1lm0 n ASN 35 Ca -0.09 -3.33 -0.26 0.00 -0.02 0.00 0.00 54.58 50.88 1lm0 n ASN 35 Cb 0.57 -0.98 -0.10 0.00 -2.36 0.00 0.00 39.78 36.90 1lm0 n ASN 35 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 1lm0 s LEU 36 N -2.18 2.82 -0.36 -4.53 -0.00 -1.26 -4.81 118.68 108.36 1lm0 s LEU 36 Ca 0.33 -1.18 -0.23 0.00 -0.00 0.00 0.00 54.13 53.05 1lm0 s LEU 36 Cb 0.04 -1.07 0.01 0.00 -0.00 0.00 0.00 46.19 45.17 1lm0 s LEU 36 CO -0.02 -0.26 0.76 -0.36 -0.00 0.00 0.00 176.35 176.47 1lm0 s PHE 37 N -2.61 3.13 0.11 3.48 0.08 -1.26 -0.66 117.98 120.26 1lm0 s PHE 37 Ca 0.34 0.55 0.04 0.00 0.12 0.00 0.00 56.93 57.97 1lm0 s PHE 37 Cb 0.03 -3.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1lm0 s PHE 37 CO 0.18 -0.70 -0.11 -0.47 -0.10 0.00 0.00 175.22 174.02 1lm0 s TYR 38 N 3.02 1.15 0.14 0.36 5.04 0.29 -4.88 117.35 122.47 1lm0 s TYR 38 Ca 0.30 -0.67 -0.30 0.00 -2.44 0.00 0.00 57.07 53.96 1lm0 s TYR 38 Cb -0.13 -0.62 -0.07 0.00 0.35 0.00 0.00 41.96 41.49 1lm0 s TYR 38 CO 0.16 0.04 1.25 0.99 -1.34 0.00 0.00 175.55 176.65 1lm0 s THR 39 N -2.63 3.59 0.35 4.34 2.01 -1.26 -0.74 115.64 121.30 1lm0 s THR 39 Ca 0.09 1.24 0.07 0.00 0.31 0.00 0.00 61.69 63.40 1lm0 s THR 39 Cb -0.02 -3.79 0.31 0.00 0.01 0.00 0.00 72.50 69.01 1lm0 s THR 39 CO 0.00 0.15 1.87 1.55 -0.69 0.00 0.00 174.62 177.51 1lm0 h PRO 40 N 5.98 0.72 -0.87 4.92 0.13 -1.72 -1.82 132.00 139.35 1lm0 h PRO 40 Ca -0.43 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 64.79 1lm0 h PRO 40 Cb 1.21 -0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.04 1lm0 h PRO 40 CO 0.79 0.48 -0.32 0.45 -0.23 0.00 0.00 178.00 179.17 1lm0 n SER 41 N -4.56 -0.52 0.00 1.44 2.88 0.86 -0.21 113.62 113.51 1lm0 n SER 41 Ca 0.17 1.51 0.14 0.00 -1.33 0.00 0.00 58.87 59.36 1lm0 n SER 41 Cb 0.43 -0.36 0.82 0.00 -0.75 0.00 0.00 64.21 64.34 1lm0 n SER 41 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1lm0 n GLU 42 N -5.30 0.75 -1.38 -1.46 2.13 -0.68 -2.12 120.64 112.57 1lm0 n GLU 42 Ca 0.10 0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 1lm0 n GLU 42 Cb 0.36 -1.50 0.11 0.00 0.27 0.00 0.00 31.44 30.68 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 -1.09 2.24 0.00 6.31 -5.35 0.71 -4.72 119.36 117.46 1lm0 n ILE 43 Ca 0.19 -3.61 0.00 0.00 -0.27 0.00 0.00 62.75 59.06 1lm0 n ILE 43 Cb 0.14 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.48 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 -0.85 0.00 -2.75 7.28 3.14 -0.90 -4.19 118.33 120.06 1lm0 n VAL 44 Ca 0.30 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.25 1lm0 n VAL 44 Cb 0.84 -0.65 -0.03 0.00 -1.06 0.00 0.00 33.84 32.94 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 -1.20 6.51 -0.32 6.55 0.01 -1.24 -2.06 114.94 123.19 1lm0 s ASN 45 Ca 0.00 0.14 -0.01 0.00 -0.71 0.00 0.00 52.86 52.28 1lm0 s ASN 45 Cb 0.00 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1lm0 s ASN 45 CO 0.00 -1.17 0.19 0.61 -1.51 0.00 0.00 177.10 175.22 1lm0 n GLY 46 N 4.95 0.51 0.00 0.66 0.00 -1.26 -4.90 105.19 105.16 1lm0 n GLY 46 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.46 0.00 0.15 1.61 4.01 -1.19 -4.57 118.16 116.70 1lm0 n LYS 47 Ca -0.01 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.70 1lm0 n LYS 47 Cb 0.52 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.00 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 0.15 -0.89 -0.18 2.02 -1.69 0.19 112.91 112.50 1lm0 h THR 48 Ca 0.00 -0.71 0.13 0.00 0.77 0.00 0.00 66.41 66.60 1lm0 h THR 48 Cb 0.00 0.25 -0.09 0.00 -1.74 0.00 0.00 68.15 66.57 1lm0 h THR 48 CO 0.00 0.04 0.51 -0.78 0.37 0.00 0.00 175.52 175.66 1lm0 h ASP 49 N -1.09 0.69 1.81 4.18 3.58 -1.65 0.14 116.42 124.09 1lm0 h ASP 49 Ca -0.05 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1lm0 h ASP 49 Cb 0.41 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1lm0 h ASP 49 CO 0.08 0.33 -0.13 0.74 -2.88 0.00 0.00 179.24 177.38 1lm0 h THR 50 N 0.77 0.00 -6.17 2.25 2.02 -1.73 -3.42 112.91 106.63 1lm0 h THR 50 Ca 0.47 -0.94 -0.45 0.00 0.77 0.00 0.00 66.41 66.26 1lm0 h THR 50 Cb 0.56 1.87 0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1lm0 h THR 50 CO -0.31 0.00 -0.76 0.61 0.37 0.00 0.00 175.52 175.43 1lm0 n GLY 51 N 1.13 -0.46 0.15 2.16 0.00 0.50 -4.89 105.19 103.79 1lm0 n GLY 51 Ca 0.04 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.63 1.51 -0.03 1.61 0.24 -0.14 -4.58 118.33 112.30 1lm0 n VAL 52 Ca -0.05 -0.39 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 1lm0 n VAL 52 Cb 0.57 -1.87 -0.01 0.00 -1.47 0.00 0.00 33.84 31.06 1lm0 n VAL 52 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1lm0 n LYS 53 N -4.23 0.20 -1.39 7.34 4.76 -1.25 -4.53 118.16 119.07 1lm0 n LYS 53 Ca -0.54 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 54.64 1lm0 n LYS 53 Cb 0.89 -0.93 -0.03 0.00 -1.84 0.00 0.00 35.03 33.11 1lm0 n LYS 53 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1lm0 n PRO 54 N -3.26 2.23 -1.61 1.97 -0.04 -1.26 -4.95 135.00 128.08 1lm0 n PRO 54 Ca -0.05 -2.17 -0.44 0.00 -0.04 0.00 0.00 63.50 60.81 1lm0 n PRO 54 Cb 0.18 -3.05 -0.01 0.00 -0.04 0.00 0.00 33.50 30.58 1lm0 n PRO 54 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1lm0 n GLU 55 N 6.28 1.49 -1.70 0.54 1.02 -1.26 -4.70 120.64 122.31 1lm0 n GLU 55 Ca 0.52 0.52 -0.43 0.00 -0.02 0.00 0.00 57.16 57.75 1lm0 n GLU 55 Cb 0.37 -1.95 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 1lm0 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lm0 n ALA 56 N 0.16 2.29 0.00 0.62 0.00 -1.26 -1.41 120.51 120.92 1lm0 n ALA 56 Ca 0.09 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1lm0 n ALA 56 Cb 0.33 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1lm0 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm0 n GLY 57 N 3.99 0.78 3.74 0.00 0.00 0.11 -4.96 105.19 108.85 1lm0 n GLY 57 Ca 0.17 0.00 -0.41 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 0.00 4.77 -0.37 1.61 -0.21 -0.50 -4.77 119.66 120.19 1lm0 s GLN 58 Ca 0.00 1.48 -0.05 0.00 0.02 0.00 0.00 55.36 56.81 1lm0 s GLN 58 Cb 0.00 -3.33 0.07 0.00 1.00 0.00 0.00 33.01 30.75 1lm0 s GLN 58 CO 0.00 0.35 0.14 -0.98 -2.12 0.00 0.00 175.29 172.68 1lm0 s ARG 59 N -0.56 2.41 0.24 2.91 1.04 -1.26 -1.41 118.95 122.32 1lm0 s ARG 59 Ca 0.44 -1.43 0.01 0.00 -1.04 0.00 0.00 55.73 53.72 1lm0 s ARG 59 Cb -0.25 -3.50 -0.05 0.00 -2.04 0.00 0.00 34.95 29.11 1lm0 s ARG 59 CO 0.31 -0.82 0.07 0.96 -0.04 0.00 0.00 175.30 175.78 1lm0 s ILE 60 N 1.31 0.60 -0.20 4.99 -0.00 -1.22 -4.08 121.20 122.60 1lm0 s ILE 60 Ca 0.01 -2.00 -0.04 0.00 -0.00 0.00 0.00 60.65 58.62 1lm0 s ILE 60 Cb -0.21 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.46 39.73 1lm0 s ILE 60 CO -0.00 -0.13 -0.02 -0.13 -0.00 0.00 0.00 174.94 174.66 1lm0 s ARG 61 N -4.00 3.51 -0.06 0.37 0.52 0.17 -3.20 118.95 116.26 1lm0 s ARG 61 Ca 0.34 -0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 54.75 1lm0 s ARG 61 Cb 0.07 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1lm0 s ARG 61 CO 0.11 -0.06 0.69 0.54 0.02 0.00 0.00 175.30 176.60 1lm0 s VAL 62 N 1.15 5.02 -0.05 3.52 0.11 0.12 -0.54 120.40 129.72 1lm0 s VAL 62 Ca 0.02 1.42 0.01 0.00 -2.93 0.00 0.00 61.98 60.50 1lm0 s VAL 62 Cb -0.15 -4.03 0.02 0.00 -1.53 0.00 0.00 36.38 30.70 1lm0 s VAL 62 CO 0.00 0.28 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.17 1lm0 s GLY 63 N 0.65 0.51 0.00 6.54 0.00 0.08 -0.41 107.32 114.68 1lm0 s GLY 63 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1lm0 s GLY 63 CO 0.18 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.35 1lm0 n GLY 64 N 4.12 -1.29 3.80 0.20 0.00 -1.00 -4.14 105.19 106.89 1lm0 n GLY 64 Ca -0.23 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.80 4.13 -0.01 1.61 0.23 -0.69 -2.39 119.30 121.38 1lm0 s MET 65 Ca 0.00 0.59 0.01 0.00 -1.03 0.00 0.00 55.69 55.26 1lm0 s MET 65 Cb 0.00 -3.27 -0.04 0.00 -1.53 0.00 0.00 34.83 30.00 1lm0 s MET 65 CO 0.00 0.58 0.03 0.54 -2.03 0.00 0.00 175.02 174.14 1lm0 s VAL 66 N -0.81 4.39 -0.02 5.16 0.11 -1.24 -2.01 120.40 125.99 1lm0 s VAL 66 Ca 0.27 -0.51 -0.22 0.00 -2.93 0.00 0.00 61.98 58.60 1lm0 s VAL 66 Cb -0.18 -2.97 -0.05 0.00 -1.53 0.00 0.00 36.38 31.65 1lm0 s VAL 66 CO 0.16 0.38 0.64 -0.89 -3.33 0.00 0.00 175.10 172.05 1lm0 s THR 67 N -1.12 4.93 0.24 5.04 2.01 -1.26 -2.28 115.64 123.21 1lm0 s THR 67 Ca 0.20 1.33 -0.07 0.00 0.31 0.00 0.00 61.69 63.46 1lm0 s THR 67 Cb -0.12 -3.98 0.27 0.00 0.01 0.00 0.00 72.50 68.69 1lm0 s THR 67 CO 0.11 0.36 1.64 1.62 -0.69 0.00 0.00 174.62 177.66 1lm0 h VAL 68 N 4.32 0.35 -3.29 3.82 3.04 -1.91 -3.08 116.25 119.50 1lm0 h VAL 68 Ca -0.44 -0.04 -0.80 0.00 -1.01 0.00 0.00 66.70 64.42 1lm0 h VAL 68 Cb 1.20 0.23 -0.28 0.00 -2.01 0.00 0.00 31.29 30.43 1lm0 h VAL 68 CO 0.72 0.02 0.56 0.61 -1.01 0.00 0.00 177.57 178.47 1lm0 n GLY 69 N -1.41 4.59 0.00 3.17 0.00 -1.26 -4.54 105.19 105.74 1lm0 n GLY 69 Ca 0.13 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 2.12 0.00 -4.67 1.61 7.64 -1.16 -5.05 113.62 114.11 1lm0 n SER 70 Ca 0.25 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.66 1lm0 n SER 70 Cb 0.37 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.43 2.10 -4.28 1.43 1.56 -1.26 -4.28 117.12 110.96 1lm0 n MET 71 Ca 0.00 0.76 -0.30 0.00 -0.27 0.00 0.00 57.70 57.89 1lm0 n MET 71 Cb 0.00 -2.53 -0.16 0.00 2.15 0.00 0.00 33.22 32.68 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 1.18 1.66 -0.05 1.12 -7.23 -0.13 -5.00 120.40 111.94 1lm0 s VAL 72 Ca 0.80 -0.71 0.04 0.00 -1.81 0.00 0.00 61.98 60.30 1lm0 s VAL 72 Cb -0.70 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 1lm0 s VAL 72 CO 0.40 0.47 -0.15 0.00 -0.31 0.00 0.00 175.10 175.51 1lm0 s ARG 73 N 1.19 2.55 0.85 4.82 1.04 -1.26 -1.41 118.95 126.73 1lm0 s ARG 73 Ca -0.01 -0.70 -0.12 0.00 -1.04 0.00 0.00 55.73 53.86 1lm0 s ARG 73 Cb -0.14 -2.38 0.10 0.00 -2.04 0.00 0.00 34.95 30.49 1lm0 s ARG 73 CO -0.06 0.59 1.10 -0.51 -0.04 0.00 0.00 175.30 176.38 1lm0 s ASP 74 N -0.65 3.97 0.36 -2.89 1.11 0.16 -4.94 116.67 113.77 1lm0 s ASP 74 Ca 0.10 1.28 0.18 0.00 0.18 0.00 0.00 52.55 54.29 1lm0 s ASP 74 Cb -0.11 -1.97 0.56 0.00 1.07 0.00 0.00 42.92 42.48 1lm0 s ASP 74 CO 0.01 -2.30 1.67 1.55 1.18 0.00 0.00 175.17 177.28 1lm0 h PRO 75 N -1.32 0.00 -1.19 8.23 0.13 -2.01 -2.65 132.00 133.20 1lm0 h PRO 75 Ca -0.49 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 64.99 1lm0 h PRO 75 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1lm0 h PRO 75 CO 0.59 0.39 0.85 -0.91 -0.23 0.00 0.00 178.00 178.69 1lm0 h ASN 76 N 0.00 0.00 -0.61 1.44 2.35 -1.92 -3.45 115.58 113.39 1lm0 h ASN 76 Ca -0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.48 1lm0 h ASN 76 Cb 1.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.27 1lm0 h ASN 76 CO 0.05 0.00 -0.24 -1.20 -1.65 0.00 0.00 177.43 174.39 1lm0 n SER 77 N -4.18 -4.72 0.00 5.81 7.64 -1.00 -4.75 113.62 112.42 1lm0 n SER 77 Ca 0.25 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1lm0 n SER 77 Cb 1.25 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.09 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 -1.46 1.74 -4.69 -3.43 -0.00 -1.26 -4.62 117.00 103.28 1lm0 n LEU 78 Ca -0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.47 1lm0 n LEU 78 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.83 1lm0 n LEU 78 CO 0.20 0.27 0.58 -1.00 -0.00 0.00 0.00 177.39 177.43 1lm0 s HIS 79 N -1.73 3.49 -0.04 1.47 3.76 -1.26 -2.12 115.29 118.86 1lm0 s HIS 79 Ca 0.00 1.32 -0.03 0.00 -0.15 0.00 0.00 55.06 56.20 1lm0 s HIS 79 Cb 0.00 -2.98 0.01 0.00 1.11 0.00 0.00 32.58 30.72 1lm0 s HIS 79 CO 0.00 -0.13 0.10 0.14 -0.85 0.00 0.00 174.74 174.00 1lm0 s VAL 80 N 1.68 -0.01 0.01 -0.90 -7.23 0.06 -0.67 120.40 113.34 1lm0 s VAL 80 Ca 0.40 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.53 1lm0 s VAL 80 Cb -0.17 -0.15 -0.00 0.00 0.56 0.00 0.00 36.38 36.61 1lm0 s VAL 80 CO 0.16 0.01 0.12 0.00 -0.31 0.00 0.00 175.10 175.07 1lm0 s GLN 81 N 0.16 0.46 -0.08 4.82 -2.07 -0.50 -0.32 119.66 122.13 1lm0 s GLN 81 Ca -0.01 -0.43 -0.21 0.00 -1.82 0.00 0.00 55.36 52.90 1lm0 s GLN 81 Cb -0.02 0.19 0.05 0.00 -1.09 0.00 0.00 33.01 32.14 1lm0 s GLN 81 CO -0.00 -0.11 0.49 -0.59 -1.32 0.00 0.00 175.29 173.76 1lm0 s PHE 82 N -1.40 -0.46 -0.25 9.60 -0.71 -0.35 -0.96 117.98 123.46 1lm0 s PHE 82 Ca -0.15 0.90 -0.13 0.00 -1.04 0.00 0.00 56.93 56.52 1lm0 s PHE 82 Cb -0.08 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1lm0 s PHE 82 CO 0.01 -0.42 0.26 0.00 -1.34 0.00 0.00 175.22 173.74 1lm0 s ALA 83 N -0.76 3.57 0.04 1.99 0.00 -1.26 -0.61 121.76 124.73 1lm0 s ALA 83 Ca -0.08 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1lm0 s ALA 83 Cb -0.03 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1lm0 s ALA 83 CO 0.05 -0.43 0.00 0.08 0.00 0.00 0.00 175.76 175.46 1lm0 s VAL 84 N 1.55 4.10 0.04 0.00 1.01 0.00 -4.02 120.40 123.08 1lm0 s VAL 84 Ca 0.11 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1lm0 s VAL 84 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1lm0 s VAL 84 CO 0.08 0.27 0.06 0.00 0.00 0.00 0.00 175.10 175.51 1lm0 n HIS 85 N 1.05 -0.67 -2.77 5.22 1.44 -0.85 -0.51 115.22 118.14 1lm0 n HIS 85 Ca -0.13 -0.23 -0.09 0.00 -2.01 0.00 0.00 57.72 55.26 1lm0 n HIS 85 Cb 0.52 0.06 0.06 0.00 0.12 0.00 0.00 29.99 30.76 1lm0 n HIS 85 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1lm0 n ASP 86 N -1.86 -2.42 -3.03 4.39 9.92 -1.25 -1.70 116.55 120.60 1lm0 n ASP 86 Ca -0.00 -3.47 -0.08 0.00 -0.53 0.00 0.00 54.79 50.71 1lm0 n ASP 86 Cb 0.06 1.73 0.01 0.00 -0.64 0.00 0.00 41.12 42.28 1lm0 n ASP 86 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1lm0 n SER 87 N 0.97 -7.11 -0.34 -2.24 7.64 -1.26 -0.32 113.62 110.96 1lm0 n SER 87 Ca 0.08 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1lm0 n SER 87 Cb 0.66 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lm0 n LEU 88 N 0.61 0.00 -2.04 -3.43 7.99 -1.26 -4.83 117.00 114.03 1lm0 n LEU 88 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.94 1lm0 n LEU 88 Cb 0.36 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.57 1lm0 n LEU 88 CO 0.32 0.00 1.19 0.61 -1.51 0.00 0.00 177.39 178.00 1lm0 n GLY 89 N 0.00 2.34 2.18 -0.72 0.00 0.56 -4.87 105.19 104.67 1lm0 n GLY 89 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 2.44 -4.59 3.77 -0.02 0.00 -1.26 -0.10 105.19 105.43 1lm0 n GLY 90 Ca 0.25 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.46 4.10 -0.01 1.61 2.12 -1.26 -3.50 118.70 121.30 1lm0 s GLU 91 Ca 0.00 2.32 -0.02 0.00 0.36 0.00 0.00 54.97 57.63 1lm0 s GLU 91 Cb 0.00 -2.91 -0.00 0.00 0.26 0.00 0.00 34.13 31.48 1lm0 s GLU 91 CO 0.00 -0.44 0.04 -1.50 -0.54 0.00 0.00 175.26 172.83 1lm0 s ILE 92 N -1.18 0.04 -0.27 -3.70 -1.16 0.34 -4.87 121.20 110.41 1lm0 s ILE 92 Ca 0.53 -0.33 -0.19 0.00 -0.51 0.00 0.00 60.65 60.16 1lm0 s ILE 92 Cb -0.42 -0.18 -0.02 0.00 0.61 0.00 0.00 42.46 42.46 1lm0 s ILE 92 CO 0.55 -0.18 0.58 -0.76 -2.81 0.00 0.00 174.94 172.32 1lm0 s LEU 93 N -0.54 4.08 -0.20 8.50 1.43 -1.26 -0.82 118.68 129.87 1lm0 s LEU 93 Ca -0.06 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 1lm0 s LEU 93 Cb -0.04 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1lm0 s LEU 93 CO -0.00 -0.36 0.22 -0.69 0.23 0.00 0.00 176.35 175.75 1lm0 s VAL 94 N 2.43 5.34 0.08 -1.59 1.01 0.22 -3.27 120.40 124.62 1lm0 s VAL 94 Ca 0.24 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1lm0 s VAL 94 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1lm0 s VAL 94 CO 0.09 0.37 -0.12 0.42 0.00 0.00 0.00 175.10 175.87 1lm0 s THR 95 N 0.71 3.24 -0.03 3.92 -4.23 0.01 -1.21 115.64 118.05 1lm0 s THR 95 Ca 0.12 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.39 1lm0 s THR 95 Cb -0.13 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1lm0 s THR 95 CO 0.03 0.20 0.09 -0.31 -0.54 0.00 0.00 174.62 174.09 1lm0 s TYR 96 N -1.12 -0.07 -0.58 3.99 1.51 0.57 -0.83 117.35 120.82 1lm0 s TYR 96 Ca 0.19 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.50 1lm0 s TYR 96 Cb -0.11 0.02 0.20 0.00 -0.11 0.00 0.00 41.96 41.95 1lm0 s TYR 96 CO 0.11 -0.08 1.16 -0.40 -1.11 0.00 0.00 175.55 175.23 1lm0 n ASP 97 N 2.82 2.59 -4.52 2.29 5.75 -1.26 -0.76 116.55 123.46 1lm0 n ASP 97 Ca -0.14 -2.01 -0.24 0.00 -0.01 0.00 0.00 54.79 52.39 1lm0 n ASP 97 Cb 0.59 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 1lm0 n ASP 97 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1lm0 s ASP 98 N -1.01 3.78 0.03 -1.12 1.01 -0.90 -4.39 116.67 114.07 1lm0 s ASP 98 Ca 0.15 -1.03 -0.30 0.00 0.71 0.00 0.00 52.55 52.07 1lm0 s ASP 98 Cb 0.08 -0.39 -0.08 0.00 1.01 0.00 0.00 42.92 43.54 1lm0 s ASP 98 CO 0.10 -0.05 1.69 -0.76 0.21 0.00 0.00 175.17 176.36 1lm0 s LEU 99 N -3.57 4.36 0.61 1.23 1.02 -1.25 -4.61 118.68 116.47 1lm0 s LEU 99 Ca 0.31 2.43 -0.15 0.00 0.02 0.00 0.00 54.13 56.75 1lm0 s LEU 99 Cb -0.03 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 1lm0 s LEU 99 CO 0.16 -0.92 1.06 -0.76 0.02 0.00 0.00 176.35 175.92 1lm0 s LEU 100 N 3.29 3.44 0.63 1.79 1.43 -1.26 -5.04 118.68 122.96 1lm0 s LEU 100 Ca 0.76 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 55.50 1lm0 s LEU 100 Cb -0.38 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.29 1lm0 s LEU 100 CO 0.33 -1.26 1.18 -2.16 0.23 0.00 0.00 176.35 174.67 1lm0 s PRO 101 N -4.19 2.78 -0.45 1.29 0.04 -1.26 -2.96 135.00 130.26 1lm0 s PRO 101 Ca 0.63 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1lm0 s PRO 101 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1lm0 s PRO 101 CO 0.39 -1.33 0.00 -0.25 0.04 0.00 0.00 177.00 175.86 1lm0 n ASP 102 N -1.98 -4.43 0.00 6.66 9.92 -1.26 0.18 116.55 125.63 1lm0 n ASP 102 Ca 0.13 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1lm0 n ASP 102 Cb 0.50 -3.04 0.00 0.00 -0.64 0.00 0.00 41.12 37.94 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 -0.55 0.30 -3.02 0.64 -0.00 -1.15 -3.68 117.00 109.54 1lm0 n LEU 103 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.84 1lm0 n LEU 103 Cb 0.42 -0.73 0.01 0.00 -0.00 0.00 0.00 43.42 43.12 1lm0 n LEU 103 CO 0.06 -0.15 0.01 0.33 -0.00 0.00 0.00 177.39 177.65 1lm0 n PHE 104 N -2.00 -3.27 -0.25 1.96 -0.00 0.13 -4.81 117.46 109.22 1lm0 n PHE 104 Ca 0.00 1.32 -0.10 0.00 -0.00 0.00 0.00 57.45 58.67 1lm0 n PHE 104 Cb 0.00 -3.65 0.04 0.00 -0.00 0.00 0.00 39.48 35.87 1lm0 n PHE 104 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1lm0 n ARG 105 N -0.49 1.49 0.00 -4.13 1.74 -1.24 -4.98 116.66 109.04 1lm0 n ARG 105 Ca 0.06 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 1lm0 n ARG 105 Cb 0.51 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1lm0 n ARG 105 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1lm0 n GLU 106 N 0.31 0.00 -1.29 5.56 -0.58 -1.26 -4.85 120.64 118.52 1lm0 n GLU 106 Ca 0.21 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.85 1lm0 n GLU 106 Cb 0.73 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.56 1lm0 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lm0 n GLY 107 N -1.00 0.98 2.96 0.62 0.00 -0.97 -4.87 105.19 102.91 1lm0 n GLY 107 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.79 0.37 -0.36 1.61 -2.07 -1.25 -4.90 119.66 110.26 1lm0 s GLN 108 Ca 0.00 -0.24 -0.29 0.00 -1.82 0.00 0.00 55.36 53.01 1lm0 s GLN 108 Cb 0.00 -0.32 0.01 0.00 -1.09 0.00 0.00 33.01 31.62 1lm0 s GLN 108 CO 0.00 0.08 1.21 0.20 -1.32 0.00 0.00 175.29 175.47 1lm0 s GLY 109 N -0.32 1.38 0.36 2.60 0.00 -1.26 -3.62 107.32 106.46 1lm0 s GLY 109 Ca -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 44.72 44.67 1lm0 s GLY 109 CO -0.00 2.48 0.02 -0.26 0.00 0.00 0.00 173.10 175.34 1lm0 s ILE 110 N 4.32 1.66 -0.08 0.90 -5.25 -1.01 -4.40 121.20 117.35 1lm0 s ILE 110 Ca 0.52 -2.02 0.04 0.00 -0.99 0.00 0.00 60.65 58.20 1lm0 s ILE 110 Cb -0.13 -2.86 -0.01 0.00 2.95 0.00 0.00 42.46 42.41 1lm0 s ILE 110 CO 0.24 -0.03 -0.21 0.68 -1.79 0.00 0.00 174.94 173.83 1lm0 s VAL 111 N -2.96 2.41 0.20 8.37 -7.23 -1.16 -2.38 120.40 117.65 1lm0 s VAL 111 Ca 0.35 -0.93 0.11 0.00 -1.81 0.00 0.00 61.98 59.70 1lm0 s VAL 111 Cb 0.09 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1lm0 s VAL 111 CO 0.16 0.56 -0.22 0.00 -0.31 0.00 0.00 175.10 175.30 1lm0 s ALA 112 N -0.08 2.43 0.12 1.32 0.00 0.45 -0.64 121.76 125.36 1lm0 s ALA 112 Ca -0.05 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.18 1lm0 s ALA 112 Cb -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1lm0 s ALA 112 CO 0.04 0.36 0.25 1.14 0.00 0.00 0.00 175.76 177.56 1lm0 s GLN 113 N -2.81 0.98 0.00 0.00 -2.07 0.12 0.11 119.66 116.00 1lm0 s GLN 113 Ca 0.21 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 1lm0 s GLN 113 Cb -0.07 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 1lm0 s GLN 113 CO 0.10 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 1lm0 n GLY 114 N -0.14 -0.77 3.46 2.60 0.00 -1.19 -0.47 105.19 108.69 1lm0 n GLY 114 Ca -0.13 0.51 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 1lm0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm0 s VAL 115 N 0.00 0.01 -0.12 1.61 0.11 0.06 -3.40 120.40 118.67 1lm0 s VAL 115 Ca 0.00 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 1lm0 s VAL 115 Cb 0.00 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1lm0 s VAL 115 CO 0.00 -0.05 1.78 -0.76 -3.33 0.00 0.00 175.10 172.74 1lm0 s LEU 116 N -0.67 4.06 -0.01 2.54 2.01 -0.50 -0.84 118.68 125.27 1lm0 s LEU 116 Ca -0.08 2.04 0.01 0.00 0.01 0.00 0.00 54.13 56.12 1lm0 s LEU 116 Cb -0.03 -3.53 0.02 0.00 0.01 0.00 0.00 46.19 42.66 1lm0 s LEU 116 CO 0.06 -1.22 0.72 0.61 1.01 0.00 0.00 176.35 177.53 1lm0 n GLY 117 N 4.64 -0.99 2.19 -3.19 0.00 -1.23 0.05 105.19 106.66 1lm0 n GLY 117 Ca 0.20 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.13 0.92 -3.29 1.61 1.02 -1.23 -5.00 120.64 114.54 1lm0 n GLU 118 Ca 0.01 -2.57 -0.12 0.00 -0.02 0.00 0.00 57.16 54.46 1lm0 n GLU 118 Cb 0.53 -0.68 -0.02 0.00 -0.02 0.00 0.00 31.44 31.25 1lm0 n GLU 118 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1lm0 n ASP 119 N -0.22 -0.09 0.00 1.62 9.92 -1.26 -2.94 116.55 123.58 1lm0 n ASP 119 Ca 0.02 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.85 1lm0 n ASP 119 Cb 0.93 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm0 n GLY 120 N -1.48 1.98 3.50 0.44 0.00 -1.19 -4.63 105.19 103.82 1lm0 n GLY 120 Ca -0.09 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 1.71 -0.29 1.61 3.01 -1.15 -4.53 119.74 120.10 1lm0 s LYS 121 Ca 0.00 -1.86 -0.08 0.00 -1.01 0.00 0.00 55.97 53.01 1lm0 s LYS 121 Cb 0.00 -1.54 -0.01 0.00 -1.01 0.00 0.00 37.83 35.27 1lm0 s LYS 121 CO 0.00 0.14 0.11 -0.51 0.51 0.00 0.00 175.35 175.60 1lm0 s LEU 122 N -3.54 3.86 -0.61 3.17 1.43 -1.20 -3.51 118.68 118.28 1lm0 s LEU 122 Ca 0.31 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 1lm0 s LEU 122 Cb 0.02 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1lm0 s LEU 122 CO 0.15 -0.15 1.05 0.00 0.23 0.00 0.00 176.35 177.63 1lm0 s ALA 123 N 1.59 3.05 0.17 4.21 0.00 -0.02 -0.81 121.76 129.95 1lm0 s ALA 123 Ca 0.05 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1lm0 s ALA 123 Cb -0.17 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 1lm0 s ALA 123 CO 0.05 -2.67 0.27 0.00 0.00 0.00 0.00 175.76 173.40 1lm0 s ALA 124 N 4.47 3.87 0.00 0.00 0.00 -0.01 -0.76 121.76 129.33 1lm0 s ALA 124 Ca 0.32 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1lm0 s ALA 124 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1lm0 s ALA 124 CO 0.18 0.46 0.00 -2.37 0.00 0.00 0.00 175.76 174.03 1lm0 n THR 125 N -0.71 0.00 -3.32 0.00 5.66 0.38 -4.42 114.28 111.88 1lm0 n THR 125 Ca -0.08 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 1lm0 n THR 125 Cb 0.55 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.00 4.26 0.01 1.09 2.02 -1.08 -4.97 118.70 119.03 1lm0 s GLU 126 Ca 0.00 0.38 0.06 0.00 0.02 0.00 0.00 54.97 55.43 1lm0 s GLU 126 Cb 0.00 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 1lm0 s GLU 126 CO 0.00 0.03 -0.19 0.14 0.02 0.00 0.00 175.26 175.26 1lm0 s VAL 127 N 1.05 1.55 -0.32 2.63 -7.23 -1.26 0.15 120.40 116.97 1lm0 s VAL 127 Ca 0.24 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1lm0 s VAL 127 Cb -0.15 -1.31 0.09 0.00 0.56 0.00 0.00 36.38 35.57 1lm0 s VAL 127 CO 0.09 0.32 0.03 -0.76 -0.31 0.00 0.00 175.10 174.47 1lm0 s LEU 128 N -0.77 4.19 -1.53 1.32 2.01 0.19 -4.93 118.68 119.17 1lm0 s LEU 128 Ca 0.07 -1.97 -0.10 0.00 0.01 0.00 0.00 54.13 52.15 1lm0 s LEU 128 Cb -0.08 -1.50 -0.08 0.00 0.01 0.00 0.00 46.19 44.54 1lm0 s LEU 128 CO 0.00 -0.36 2.82 0.00 1.01 0.00 0.00 176.35 179.82 1lm0 n ALA 129 N 4.37 7.10 -1.02 4.21 0.00 -1.26 -3.00 120.51 130.90 1lm0 n ALA 129 Ca 0.01 -3.35 -0.16 0.00 0.00 0.00 0.00 53.44 49.93 1lm0 n ALA 129 Cb 0.42 -3.34 -0.14 0.00 0.00 0.00 0.00 19.45 16.39 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 3.81 2.24 -3.75 0.00 2.85 -1.26 -4.73 118.16 117.31 1lm0 n LYS 130 Ca 0.73 -1.18 -0.12 0.00 -1.05 0.00 0.00 58.31 56.69 1lm0 n LYS 130 Cb 0.23 -2.13 -0.12 0.00 -0.65 0.00 0.00 35.03 32.36 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1lm0 s HIS 131 N 1.27 -0.35 0.00 5.58 3.76 -1.26 -5.03 115.29 119.25 1lm0 s HIS 131 Ca 0.66 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 1lm0 s HIS 131 Cb 0.29 0.10 0.00 0.00 1.11 0.00 0.00 32.58 34.08 1lm0 s HIS 131 CO -0.01 -0.21 0.00 -3.47 -0.85 0.00 0.00 174.74 170.20