#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm0 n ASN 33 N 0.00 -1.59 -3.52 6.43 4.13 -1.26 -5.09 115.26 114.36 1lm0 n ASN 33 Ca 0.00 0.41 -0.23 0.00 1.68 0.00 0.00 54.58 56.45 1lm0 n ASN 33 Cb 0.00 1.67 0.05 0.00 -1.54 0.00 0.00 39.78 39.97 1lm0 n ASN 33 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1lm0 n LEU 34 N -3.01 -3.97 -3.17 3.41 0.00 -1.26 -5.00 117.00 104.01 1lm0 n LEU 34 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 56.01 55.19 1lm0 n LEU 34 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 43.42 40.63 1lm0 n LEU 34 CO 0.00 0.32 0.09 0.54 0.00 0.00 0.00 177.39 178.34 1lm0 s ASN 35 N -3.67 -1.37 0.10 1.96 4.22 -1.26 -4.19 114.94 110.74 1lm0 s ASN 35 Ca 0.35 0.28 -0.02 0.00 -2.14 0.00 0.00 52.86 51.34 1lm0 s ASN 35 Cb -0.09 1.96 -0.04 0.00 1.28 0.00 0.00 41.25 44.37 1lm0 s ASN 35 CO 0.80 -0.30 0.04 -1.48 -2.04 0.00 0.00 177.10 174.13 1lm0 s LEU 36 N 2.80 1.97 -0.07 3.54 2.34 -1.26 -4.94 118.68 123.07 1lm0 s LEU 36 Ca 0.12 -1.10 -0.28 0.00 0.06 0.00 0.00 54.13 52.93 1lm0 s LEU 36 Cb -0.11 0.33 -0.02 0.00 -0.56 0.00 0.00 46.19 45.83 1lm0 s LEU 36 CO -0.25 -0.69 0.93 -0.36 -1.06 0.00 0.00 176.35 174.91 1lm0 s PHE 37 N -3.99 3.57 0.15 3.48 0.08 -1.26 -0.65 117.98 119.35 1lm0 s PHE 37 Ca 0.17 1.54 0.06 0.00 0.12 0.00 0.00 56.93 58.82 1lm0 s PHE 37 Cb 0.07 -3.08 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 1lm0 s PHE 37 CO -0.03 -0.10 -0.13 0.71 -0.10 0.00 0.00 175.22 175.58 1lm0 s TYR 38 N 1.46 1.40 0.16 0.36 2.02 0.73 -4.94 117.35 118.55 1lm0 s TYR 38 Ca 0.47 -0.63 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1lm0 s TYR 38 Cb -0.19 -0.71 -0.06 0.00 -0.40 0.00 0.00 41.96 40.60 1lm0 s TYR 38 CO 0.21 0.16 0.43 0.95 -1.57 0.00 0.00 175.55 175.73 1lm0 s THR 39 N -2.70 5.09 0.49 -0.71 -4.23 -1.26 -0.64 115.64 111.68 1lm0 s THR 39 Ca 0.14 0.21 0.23 0.00 -1.18 0.00 0.00 61.69 61.09 1lm0 s THR 39 Cb -0.02 -3.62 0.41 0.00 1.34 0.00 0.00 72.50 70.61 1lm0 s THR 39 CO 0.03 0.04 1.93 1.55 -0.54 0.00 0.00 174.62 177.63 1lm0 h PRO 40 N 2.85 0.16 -0.88 3.99 0.13 -1.81 0.63 132.00 137.07 1lm0 h PRO 40 Ca -0.47 -0.01 0.23 0.00 -0.87 0.00 0.00 66.00 64.88 1lm0 h PRO 40 Cb 1.17 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 1lm0 h PRO 40 CO 0.71 0.11 0.31 1.03 -0.23 0.00 0.00 178.00 179.93 1lm0 h SER 41 N 0.17 0.16 0.62 1.44 0.87 -1.77 0.57 113.55 115.61 1lm0 h SER 41 Ca 0.36 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1lm0 h SER 41 Cb 1.17 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1lm0 h SER 41 CO -0.06 -0.09 0.00 1.21 -0.53 0.00 0.00 176.83 177.36 1lm0 n GLU 42 N -5.14 0.23 -2.24 2.24 4.07 0.21 -2.83 120.64 117.18 1lm0 n GLU 42 Ca 0.22 0.06 -0.18 0.00 -0.06 0.00 0.00 57.16 57.19 1lm0 n GLU 42 Cb 0.67 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.58 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 -1.37 2.21 0.07 6.31 -5.35 0.16 -4.60 119.36 116.79 1lm0 n ILE 43 Ca 0.10 -3.93 0.00 0.00 -0.27 0.00 0.00 62.75 58.65 1lm0 n ILE 43 Cb 0.23 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 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 -0.67 0.91 -2.21 7.28 3.14 -1.01 -4.73 118.33 121.04 1lm0 n VAL 44 Ca 0.35 0.30 -0.43 0.00 -2.96 0.00 0.00 64.34 61.60 1lm0 n VAL 44 Cb 0.92 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1lm0 n ASN 45 N -3.43 4.57 -2.21 6.55 3.02 -1.25 -4.35 115.26 118.16 1lm0 n ASN 45 Ca 0.00 -2.94 -0.00 0.00 -0.03 0.00 0.00 54.58 51.61 1lm0 n ASN 45 Cb 0.00 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.55 1lm0 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm0 n GLY 46 N 4.05 -0.76 0.00 7.41 0.00 -1.26 -5.05 105.19 109.58 1lm0 n GLY 46 Ca 0.46 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.27 0.00 -0.14 1.61 4.01 -1.26 -4.68 118.16 116.43 1lm0 n LYS 47 Ca 0.01 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 1lm0 n LYS 47 Cb 0.47 0.00 0.18 0.00 -0.51 0.00 0.00 35.03 35.17 1lm0 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1lm0 h THR 48 N 0.00 1.23 -0.96 -0.18 1.03 -1.81 -0.71 112.91 111.50 1lm0 h THR 48 Ca 0.00 -0.84 0.31 0.00 -0.01 0.00 0.00 66.41 65.87 1lm0 h THR 48 Cb 0.00 0.68 -0.16 0.00 -1.07 0.00 0.00 68.15 67.60 1lm0 h THR 48 CO 0.00 0.31 0.37 0.44 -0.01 0.00 0.00 175.52 176.63 1lm0 h ASP 49 N 0.81 0.15 -0.13 0.00 5.19 -1.87 0.52 116.42 121.09 1lm0 h ASP 49 Ca 0.18 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 1lm0 h ASP 49 Cb 0.31 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1lm0 h ASP 49 CO 0.00 -0.24 0.00 0.41 -3.12 0.00 0.00 179.24 176.29 1lm0 n THR 50 N -5.22 0.95 -3.13 0.35 -1.04 -1.00 -4.65 114.28 100.54 1lm0 n THR 50 Ca 0.28 -0.98 -0.18 0.00 -2.04 0.00 0.00 64.05 61.14 1lm0 n THR 50 Cb 0.92 0.53 -0.01 0.00 -1.82 0.00 0.00 70.33 69.94 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 -0.08 -0.48 0.12 3.41 0.00 0.17 -4.85 105.19 103.49 1lm0 n GLY 51 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.51 0.91 0.00 1.61 -1.51 -1.56 -3.44 116.25 111.76 1lm0 h VAL 52 Ca -0.31 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 62.83 1lm0 h VAL 52 Cb 1.21 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.79 1lm0 h VAL 52 CO 0.40 0.52 0.00 0.29 -1.23 0.00 0.00 177.57 177.55 1lm0 n LYS 53 N -3.19 0.00 -2.45 5.19 4.76 -1.26 -5.01 118.16 116.20 1lm0 n LYS 53 Ca -0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1lm0 n LYS 53 Cb 0.78 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.94 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 -0.45 4.27 0.75 1.97 0.04 -1.26 -5.02 135.00 135.28 1lm0 s PRO 54 Ca 0.00 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1lm0 s PRO 54 Cb 0.00 -3.70 0.04 0.00 0.04 0.00 0.00 34.50 30.88 1lm0 s PRO 54 CO 0.00 -0.63 1.10 -1.21 0.04 0.00 0.00 177.00 176.30 1lm0 s GLU 55 N 3.12 2.34 1.08 4.56 2.02 -1.26 -4.46 118.70 126.10 1lm0 s GLU 55 Ca 0.54 1.27 -0.12 0.00 0.02 0.00 0.00 54.97 56.68 1lm0 s GLU 55 Cb -0.22 -1.90 0.24 0.00 0.10 0.00 0.00 34.13 32.34 1lm0 s GLU 55 CO 0.16 -1.59 1.06 0.00 0.02 0.00 0.00 175.26 174.91 1lm0 s ALA 56 N -2.70 0.21 -0.10 5.21 0.00 -1.26 -3.88 121.76 119.24 1lm0 s ALA 56 Ca 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1lm0 s ALA 56 Cb -0.19 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1lm0 s ALA 56 CO 0.52 -3.40 0.00 0.41 0.00 0.00 0.00 175.76 173.29 1lm0 n GLY 57 N 0.21 0.41 3.88 0.00 0.00 -1.25 -4.99 105.19 103.46 1lm0 n GLY 57 Ca 0.05 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.92 3.67 -0.14 1.61 -0.21 -1.25 -4.81 119.66 117.61 1lm0 s GLN 58 Ca 0.00 0.02 -0.26 0.00 0.02 0.00 0.00 55.36 55.15 1lm0 s GLN 58 Cb 0.00 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.08 1lm0 s GLN 58 CO 0.00 0.51 0.83 1.03 -2.12 0.00 0.00 175.29 175.54 1lm0 s ARG 59 N -2.31 4.34 0.30 2.91 1.81 -1.26 -0.96 118.95 123.78 1lm0 s ARG 59 Ca 0.37 1.04 0.04 0.00 -1.72 0.00 0.00 55.73 55.47 1lm0 s ARG 59 Cb -0.13 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.80 1lm0 s ARG 59 CO 0.21 -0.25 0.26 0.96 -0.68 0.00 0.00 175.30 175.80 1lm0 s ILE 60 N 1.87 0.00 -0.07 1.52 -4.36 -0.22 -4.23 121.20 115.70 1lm0 s ILE 60 Ca 0.40 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1lm0 s ILE 60 Cb -0.17 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1lm0 s ILE 60 CO 0.15 0.00 -0.08 -0.13 0.24 0.00 0.00 174.94 175.11 1lm0 s ARG 61 N -3.59 1.37 -0.16 0.37 0.52 0.17 -1.21 118.95 116.42 1lm0 s ARG 61 Ca 0.39 -0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 55.16 1lm0 s ARG 61 Cb 0.03 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.19 1lm0 s ARG 61 CO 0.23 -0.09 0.47 0.54 0.02 0.00 0.00 175.30 176.48 1lm0 s VAL 62 N 1.04 5.17 -0.11 3.52 0.11 0.62 -0.19 120.40 130.56 1lm0 s VAL 62 Ca -0.08 0.91 0.03 0.00 -2.93 0.00 0.00 61.98 59.90 1lm0 s VAL 62 Cb -0.14 -3.81 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 1lm0 s VAL 62 CO -0.00 0.27 -0.20 -0.83 -3.33 0.00 0.00 175.10 171.00 1lm0 s GLY 63 N 0.86 1.21 0.00 6.54 0.00 0.19 -0.41 107.32 115.70 1lm0 s GLY 63 Ca 0.24 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1lm0 s GLY 63 CO 0.09 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1lm0 n GLY 64 N 3.83 -0.84 3.58 0.20 0.00 -0.63 -4.11 105.19 107.22 1lm0 n GLY 64 Ca -0.20 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.25 3.88 0.37 1.61 0.23 -1.26 -0.99 119.30 122.88 1lm0 s MET 65 Ca 0.00 -0.39 -0.28 0.00 -1.03 0.00 0.00 55.69 53.99 1lm0 s MET 65 Cb 0.00 -3.22 -0.11 0.00 -1.53 0.00 0.00 34.83 29.96 1lm0 s MET 65 CO 0.00 0.16 1.49 0.28 -2.03 0.00 0.00 175.02 174.92 1lm0 n VAL 66 N 3.87 1.90 0.00 5.16 0.31 -1.26 -2.75 118.33 125.55 1lm0 n VAL 66 Ca -0.16 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1lm0 n VAL 66 Cb 0.52 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1lm0 n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1lm0 n THR 67 N 0.60 0.00 0.00 2.52 -1.04 -1.17 -3.88 114.28 111.31 1lm0 n THR 67 Ca 0.02 1.00 0.00 0.00 -2.04 0.00 0.00 64.05 63.04 1lm0 n THR 67 Cb 0.38 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1lm0 n THR 67 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1lm0 n VAL 68 N -0.74 0.00 -2.23 12.58 3.14 -1.26 -4.60 118.33 125.22 1lm0 n VAL 68 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1lm0 n VAL 68 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 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 0.76 0.38 7.55 0.00 -1.26 -4.78 105.19 107.83 1lm0 n GLY 69 Ca 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.23 1.13 -4.60 1.61 7.64 -1.26 -4.81 113.62 113.55 1lm0 n SER 70 Ca -0.09 -1.62 -0.43 0.00 1.01 0.00 0.00 58.87 57.74 1lm0 n SER 70 Cb 0.89 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 1lm0 n SER 70 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1lm0 s MET 71 N -1.86 3.32 -0.26 1.43 -1.94 -1.26 -3.88 119.30 114.85 1lm0 s MET 71 Ca 0.31 1.63 0.01 0.00 -1.71 0.00 0.00 55.69 55.92 1lm0 s MET 71 Cb 0.16 -4.24 0.05 0.00 2.01 0.00 0.00 34.83 32.81 1lm0 s MET 71 CO 0.24 -1.88 -0.09 0.14 -0.01 0.00 0.00 175.02 173.43 1lm0 s VAL 72 N 7.15 2.44 0.06 -6.03 -7.23 -0.35 -5.02 120.40 111.42 1lm0 s VAL 72 Ca 0.85 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1lm0 s VAL 72 Cb -0.26 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1lm0 s VAL 72 CO 0.34 0.05 0.25 0.00 -0.31 0.00 0.00 175.10 175.43 1lm0 s ARG 73 N 1.19 3.49 0.38 4.82 1.70 -1.26 -1.10 118.95 128.16 1lm0 s ARG 73 Ca -0.05 -0.31 -0.15 0.00 -0.47 0.00 0.00 55.73 54.75 1lm0 s ARG 73 Cb -0.19 -3.01 -0.08 0.00 -0.57 0.00 0.00 34.95 31.10 1lm0 s ARG 73 CO -0.05 0.59 0.79 -0.51 -1.08 0.00 0.00 175.30 175.04 1lm0 s ASP 74 N -2.34 6.71 0.00 -2.89 1.11 -0.30 -4.95 116.67 114.01 1lm0 s ASP 74 Ca 0.35 1.31 0.00 0.00 0.18 0.00 0.00 52.55 54.39 1lm0 s ASP 74 Cb -0.13 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1lm0 s ASP 74 CO 0.25 -0.31 0.60 -0.81 1.18 0.00 0.00 175.17 176.07 1lm0 n PRO 75 N -0.77 0.75 0.07 8.23 -0.04 -1.26 -1.66 135.00 140.32 1lm0 n PRO 75 Ca 0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1lm0 n PRO 75 Cb 0.54 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.39 0.00 -0.08 3.54 2.35 -1.92 -3.48 115.58 116.38 1lm0 h ASN 76 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1lm0 h ASN 76 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1lm0 h ASN 76 CO 0.00 0.46 -0.03 -1.20 -1.65 0.00 0.00 177.43 175.01 1lm0 n SER 77 N -2.94 -4.77 0.00 5.81 7.64 -0.67 -4.79 113.62 113.91 1lm0 n SER 77 Ca -0.05 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1lm0 n SER 77 Cb 0.77 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 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 -0.19 0.83 -3.90 -3.43 -0.00 -1.26 -4.19 117.00 104.85 1lm0 n LEU 78 Ca -0.02 -0.83 -0.16 0.00 -0.00 0.00 0.00 56.01 55.00 1lm0 n LEU 78 Cb 0.32 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.58 1lm0 n LEU 78 CO 0.03 0.21 -0.39 -1.00 -0.00 0.00 0.00 177.39 176.23 1lm0 s HIS 79 N -0.20 0.42 -0.22 1.47 3.76 -1.26 -0.88 115.29 118.39 1lm0 s HIS 79 Ca 0.00 -0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 54.72 1lm0 s HIS 79 Cb 0.00 -0.35 0.07 0.00 1.11 0.00 0.00 32.58 33.41 1lm0 s HIS 79 CO 0.00 -0.07 0.53 0.14 -0.85 0.00 0.00 174.74 174.49 1lm0 s VAL 80 N 0.36 -0.01 0.08 -0.90 -7.23 -0.62 -1.15 120.40 110.91 1lm0 s VAL 80 Ca -0.04 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 1lm0 s VAL 80 Cb -0.07 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1lm0 s VAL 80 CO -0.01 0.02 -0.07 0.00 -0.31 0.00 0.00 175.10 174.74 1lm0 s GLN 81 N 1.49 0.72 -0.09 4.82 -2.07 -0.26 -0.11 119.66 124.17 1lm0 s GLN 81 Ca -0.10 -1.12 -0.14 0.00 -1.82 0.00 0.00 55.36 52.18 1lm0 s GLN 81 Cb -0.07 -0.24 0.03 0.00 -1.09 0.00 0.00 33.01 31.64 1lm0 s GLN 81 CO -0.16 0.01 0.35 -0.59 -1.32 0.00 0.00 175.29 173.59 1lm0 s PHE 82 N -2.77 -0.32 -0.09 9.60 -0.71 -0.12 -1.22 117.98 122.35 1lm0 s PHE 82 Ca 0.04 0.71 -0.20 0.00 -1.04 0.00 0.00 56.93 56.43 1lm0 s PHE 82 Cb -0.01 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 1lm0 s PHE 82 CO -0.03 -0.28 0.58 0.00 -1.34 0.00 0.00 175.22 174.15 1lm0 s ALA 83 N -0.44 3.41 -0.14 1.99 0.00 -1.25 -0.69 121.76 124.64 1lm0 s ALA 83 Ca -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1lm0 s ALA 83 Cb -0.04 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1lm0 s ALA 83 CO 0.02 -0.04 -0.06 0.08 0.00 0.00 0.00 175.76 175.76 1lm0 s VAL 84 N 0.67 3.70 0.10 0.00 1.01 0.08 -3.03 120.40 122.93 1lm0 s VAL 84 Ca 0.31 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1lm0 s VAL 84 Cb -0.16 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1lm0 s VAL 84 CO 0.14 0.51 0.55 -1.38 0.00 0.00 0.00 175.10 174.91 1lm0 s HIS 85 N 0.26 -0.45 0.21 5.22 -3.43 -1.11 -0.69 115.29 115.29 1lm0 s HIS 85 Ca -0.04 0.38 -0.10 0.00 -0.80 0.00 0.00 55.06 54.50 1lm0 s HIS 85 Cb -0.14 0.42 -0.01 0.00 -1.43 0.00 0.00 32.58 31.42 1lm0 s HIS 85 CO 0.03 -0.73 0.35 0.34 -2.00 0.00 0.00 174.74 172.74 1lm0 s ASP 86 N -2.35 -0.01 0.11 7.38 2.15 -0.56 -4.36 116.67 119.03 1lm0 s ASP 86 Ca -0.02 -0.97 -0.12 0.00 0.43 0.00 0.00 52.55 51.88 1lm0 s ASP 86 Cb -0.00 0.50 0.08 0.00 -0.30 0.00 0.00 42.92 43.20 1lm0 s ASP 86 CO -0.07 -1.00 0.84 -0.24 -0.17 0.00 0.00 175.17 174.53 1lm0 n SER 87 N -0.30 -0.41 -0.00 -0.34 2.88 -1.26 -1.60 113.62 112.58 1lm0 n SER 87 Ca -0.03 0.95 0.04 0.00 -1.33 0.00 0.00 58.87 58.49 1lm0 n SER 87 Cb 0.63 -0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 1lm0 n SER 87 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1lm0 n LEU 88 N -4.76 0.22 -3.32 2.46 7.99 -1.26 -4.80 117.00 113.53 1lm0 n LEU 88 Ca 0.04 -0.32 -0.37 0.00 -0.01 0.00 0.00 56.01 55.35 1lm0 n LEU 88 Cb 0.20 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.48 1lm0 n LEU 88 CO -0.08 0.06 3.24 0.61 -1.51 0.00 0.00 177.39 179.71 1lm0 n GLY 89 N 1.50 4.12 3.09 -0.72 0.00 -0.62 -4.38 105.19 108.17 1lm0 n GLY 89 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 3.64 1.08 3.64 -0.02 0.00 -1.25 -1.49 105.19 110.78 1lm0 n GLY 90 Ca 0.73 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.70 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 0.59 0.01 1.61 2.12 -1.26 -3.78 118.70 117.99 1lm0 s GLU 91 Ca 0.00 0.72 -0.21 0.00 0.36 0.00 0.00 54.97 55.83 1lm0 s GLU 91 Cb 0.00 0.28 0.05 0.00 0.26 0.00 0.00 34.13 34.71 1lm0 s GLU 91 CO 0.00 -0.07 0.48 -1.50 -0.54 0.00 0.00 175.26 173.63 1lm0 s ILE 92 N 0.35 0.04 -0.26 -3.70 1.10 0.13 -4.68 121.20 114.18 1lm0 s ILE 92 Ca 0.02 -0.30 -0.11 0.00 -0.51 0.00 0.00 60.65 59.75 1lm0 s ILE 92 Cb -0.05 -0.90 -0.05 0.00 0.15 0.00 0.00 42.46 41.61 1lm0 s ILE 92 CO -0.05 -0.17 0.17 -0.76 -2.11 0.00 0.00 174.94 172.02 1lm0 s LEU 93 N -1.69 4.05 -0.17 8.50 1.43 -1.26 -0.74 118.68 128.81 1lm0 s LEU 93 Ca -0.08 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1lm0 s LEU 93 Cb -0.02 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1lm0 s LEU 93 CO 0.02 0.01 -0.04 -0.69 0.23 0.00 0.00 176.35 175.88 1lm0 s VAL 94 N 1.37 3.77 -0.01 -1.59 1.01 0.14 -2.47 120.40 122.61 1lm0 s VAL 94 Ca 0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1lm0 s VAL 94 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1lm0 s VAL 94 CO 0.07 0.47 0.07 0.42 0.00 0.00 0.00 175.10 176.13 1lm0 s THR 95 N 0.65 4.66 0.11 3.92 -4.23 0.28 -0.94 115.64 120.09 1lm0 s THR 95 Ca -0.02 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 1lm0 s THR 95 Cb -0.14 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 1lm0 s THR 95 CO 0.02 0.38 0.11 -0.47 -0.54 0.00 0.00 174.62 174.12 1lm0 s TYR 96 N -1.16 0.57 -0.05 3.99 6.14 0.85 -1.14 117.35 126.55 1lm0 s TYR 96 Ca 0.22 -0.99 -0.13 0.00 0.64 0.00 0.00 57.07 56.81 1lm0 s TYR 96 Cb -0.12 -0.30 0.02 0.00 0.42 0.00 0.00 41.96 41.99 1lm0 s TYR 96 CO 0.12 -0.54 0.30 0.16 0.64 0.00 0.00 175.55 176.23 1lm0 s ASP 97 N -2.97 -0.22 -0.62 4.32 -4.77 -1.26 -1.60 116.67 109.55 1lm0 s ASP 97 Ca 0.16 0.26 -0.03 0.00 -3.30 0.00 0.00 52.55 49.64 1lm0 s ASP 97 Cb 0.06 0.43 -0.04 0.00 -1.09 0.00 0.00 42.92 42.28 1lm0 s ASP 97 CO -0.03 -0.31 0.55 0.47 0.70 0.00 0.00 175.17 176.54 1lm0 n ASP 98 N 1.91 -4.89 -0.69 2.11 9.92 -0.05 -4.92 116.55 119.93 1lm0 n ASP 98 Ca -0.18 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.68 1lm0 n ASP 98 Cb 0.57 -3.39 0.00 0.00 -0.64 0.00 0.00 41.12 37.66 1lm0 n ASP 98 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1lm0 n LEU 99 N -2.46 0.00 -3.89 0.64 4.77 -1.26 -4.94 117.00 109.86 1lm0 n LEU 99 Ca -0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1lm0 n LEU 99 Cb 0.57 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1lm0 n LEU 99 CO 0.35 -1.05 -0.21 -0.76 -1.33 0.00 0.00 177.39 174.39 1lm0 s LEU 100 N 0.00 1.69 -0.24 2.23 1.43 -1.26 -4.91 118.68 117.61 1lm0 s LEU 100 Ca 0.00 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1lm0 s LEU 100 Cb 0.00 0.54 -0.04 0.00 0.03 0.00 0.00 46.19 46.72 1lm0 s LEU 100 CO 0.00 -0.32 1.97 -2.16 0.23 0.00 0.00 176.35 176.06 1lm0 s PRO 101 N -1.25 3.36 -1.62 1.29 0.04 -1.26 -2.38 135.00 133.18 1lm0 s PRO 101 Ca -0.13 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 1lm0 s PRO 101 Cb -0.07 -4.25 0.07 0.00 0.04 0.00 0.00 34.50 30.29 1lm0 s PRO 101 CO 0.01 -1.83 0.29 -0.25 0.04 0.00 0.00 177.00 175.26 1lm0 n ASP 102 N 10.46 -0.33 -0.18 6.66 9.92 -1.26 -0.57 116.55 141.26 1lm0 n ASP 102 Ca 0.25 -1.20 -0.01 0.00 -0.53 0.00 0.00 54.79 53.30 1lm0 n ASP 102 Cb 0.45 -1.96 -0.01 0.00 -0.64 0.00 0.00 41.12 38.97 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 0.28 -2.06 0.64 -0.00 -1.00 -2.20 117.00 108.25 1lm0 n LEU 103 Ca -0.18 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1lm0 n LEU 103 Cb 0.62 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 1lm0 n LEU 103 CO 0.86 -0.45 -0.33 0.49 -0.00 0.00 0.00 177.39 177.96 1lm0 n PHE 104 N -0.98 -3.41 -2.34 1.47 3.72 0.27 -4.87 117.46 111.31 1lm0 n PHE 104 Ca -0.01 2.05 -0.43 0.00 -0.05 0.00 0.00 57.45 59.01 1lm0 n PHE 104 Cb 0.23 -2.79 -0.02 0.00 -0.94 0.00 0.00 39.48 35.96 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 -0.38 3.81 0.14 -1.08 1.81 -0.93 -4.61 118.95 117.70 1lm0 s ARG 105 Ca 0.00 1.25 -0.30 0.00 -1.72 0.00 0.00 55.73 54.96 1lm0 s ARG 105 Cb 0.00 -3.94 -0.07 0.00 -0.45 0.00 0.00 34.95 30.49 1lm0 s ARG 105 CO 0.00 -1.26 1.14 -1.21 -0.68 0.00 0.00 175.30 173.29 1lm0 s GLU 106 N 4.45 4.53 0.00 3.54 8.01 -1.26 -3.66 118.70 134.31 1lm0 s GLU 106 Ca 0.60 1.75 0.00 0.00 0.01 0.00 0.00 54.97 57.33 1lm0 s GLU 106 Cb -0.18 -3.30 0.00 0.00 -4.31 0.00 0.00 34.13 26.35 1lm0 s GLU 106 CO 0.26 -0.05 0.00 0.41 0.01 0.00 0.00 175.26 175.89 1lm0 n GLY 107 N 2.44 0.62 2.54 -1.39 0.00 -1.25 -4.86 105.19 103.28 1lm0 n GLY 107 Ca 0.05 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1lm0 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm0 n GLN 108 N -0.97 1.97 0.00 1.61 10.64 -1.24 -4.91 117.38 124.48 1lm0 n GLN 108 Ca 0.00 -3.86 0.00 0.00 -1.83 0.00 0.00 57.00 51.31 1lm0 n GLN 108 Cb 0.41 -1.78 0.00 0.00 -0.86 0.00 0.00 30.24 28.01 1lm0 n GLN 108 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1lm0 n GLY 109 N -0.08 0.00 3.30 2.61 0.00 -1.26 -4.82 105.19 104.94 1lm0 n GLY 109 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1lm0 n GLY 109 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lm0 s ILE 110 N 0.00 0.56 -0.02 -0.61 -5.25 -0.16 -4.54 121.20 111.17 1lm0 s ILE 110 Ca 0.00 -2.00 0.07 0.00 -0.99 0.00 0.00 60.65 57.73 1lm0 s ILE 110 Cb 0.00 -2.56 -0.02 0.00 2.95 0.00 0.00 42.46 42.83 1lm0 s ILE 110 CO 0.00 -0.07 -0.24 0.68 -1.79 0.00 0.00 174.94 173.52 1lm0 s VAL 111 N -3.75 1.91 -0.12 8.37 -7.23 -0.58 -1.61 120.40 117.39 1lm0 s VAL 111 Ca 0.36 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1lm0 s VAL 111 Cb 0.08 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 35.45 1lm0 s VAL 111 CO 0.12 0.54 -0.10 0.00 -0.31 0.00 0.00 175.10 175.36 1lm0 s ALA 112 N -0.51 1.44 -0.06 1.32 0.00 0.45 -0.62 121.76 123.78 1lm0 s ALA 112 Ca 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1lm0 s ALA 112 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1lm0 s ALA 112 CO -0.00 -0.36 0.08 -0.65 0.00 0.00 0.00 175.76 174.83 1lm0 s GLN 113 N 1.56 3.15 0.00 0.00 -0.21 0.39 -0.27 119.66 124.27 1lm0 s GLN 113 Ca 0.03 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.05 1lm0 s GLN 113 Cb -0.13 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1lm0 s GLN 113 CO -0.08 0.70 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 1lm0 n GLY 114 N 1.66 -0.82 3.18 3.09 0.00 -0.35 -2.64 105.19 109.32 1lm0 n GLY 114 Ca -0.16 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.00 1.20 0.21 1.61 0.11 0.04 -1.06 120.40 118.52 1lm0 s VAL 115 Ca 0.00 -1.29 -0.32 0.00 -2.93 0.00 0.00 61.98 57.44 1lm0 s VAL 115 Cb 0.00 -1.13 -0.13 0.00 -1.53 0.00 0.00 36.38 33.58 1lm0 s VAL 115 CO 0.00 -0.16 1.53 0.18 -3.33 0.00 0.00 175.10 173.32 1lm0 n LEU 116 N 1.36 3.33 0.00 2.54 7.99 -0.14 -0.90 117.00 131.19 1lm0 n LEU 116 Ca -0.20 1.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 1lm0 n LEU 116 Cb 0.54 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.39 1lm0 n LEU 116 CO 0.22 -0.27 0.00 0.61 -1.51 0.00 0.00 177.39 176.44 1lm0 n GLY 117 N 2.85 0.87 0.06 -0.72 0.00 0.42 -3.81 105.19 104.87 1lm0 n GLY 117 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1lm0 n GLY 117 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lm0 h GLU 118 N 0.00 -0.14 -0.63 1.61 4.81 -1.95 -3.41 114.58 114.87 1lm0 h GLU 118 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1lm0 h GLU 118 Cb 0.00 0.03 -0.20 0.00 0.63 0.00 0.00 28.75 29.21 1lm0 h GLU 118 CO 0.00 -0.09 -0.17 0.34 -0.73 0.00 0.00 179.01 178.36 1lm0 s ASP 119 N -3.08 -1.00 0.00 1.04 -1.08 -1.26 -4.91 116.67 106.37 1lm0 s ASP 119 Ca -0.02 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.23 1lm0 s ASP 119 Cb 0.00 1.68 0.00 0.00 -1.46 0.00 0.00 42.92 43.14 1lm0 s ASP 119 CO 0.06 -0.18 0.00 0.61 0.52 0.00 0.00 175.17 176.18 1lm0 n GLY 120 N 5.31 2.44 3.74 2.66 0.00 -1.26 -4.97 105.19 113.11 1lm0 n GLY 120 Ca 0.05 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 4.61 -0.32 1.61 3.01 -1.26 -4.62 119.74 122.77 1lm0 s LYS 121 Ca 0.00 1.26 -0.09 0.00 -1.01 0.00 0.00 55.97 56.13 1lm0 s LYS 121 Cb 0.00 -3.35 0.00 0.00 -1.01 0.00 0.00 37.83 33.47 1lm0 s LYS 121 CO 0.00 0.30 0.15 -0.51 0.51 0.00 0.00 175.35 175.80 1lm0 s LEU 122 N -0.22 4.15 -0.51 3.17 2.01 -1.03 -0.44 118.68 125.80 1lm0 s LEU 122 Ca 0.42 -0.62 -0.21 0.00 0.01 0.00 0.00 54.13 53.72 1lm0 s LEU 122 Cb -0.22 -1.99 0.05 0.00 0.01 0.00 0.00 46.19 44.04 1lm0 s LEU 122 CO 0.27 -0.22 0.76 0.00 1.01 0.00 0.00 176.35 178.17 1lm0 s ALA 123 N 1.59 3.29 -0.36 4.21 0.00 -0.08 -0.55 121.76 129.85 1lm0 s ALA 123 Ca 0.04 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1lm0 s ALA 123 Cb -0.17 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.59 1lm0 s ALA 123 CO 0.06 -2.12 0.28 0.00 0.00 0.00 0.00 175.76 173.98 1lm0 s ALA 124 N 3.20 0.38 -0.62 0.00 0.00 -0.29 -0.78 121.76 123.66 1lm0 s ALA 124 Ca 0.23 -1.52 0.24 0.00 0.00 0.00 0.00 51.96 50.90 1lm0 s ALA 124 Cb -0.16 -1.79 0.32 0.00 0.00 0.00 0.00 23.12 21.50 1lm0 s ALA 124 CO 0.16 -2.13 1.30 0.00 0.00 0.00 0.00 175.76 175.10 1lm0 h THR 125 N 5.01 0.00 -1.68 0.00 1.03 -1.77 -3.42 112.91 112.08 1lm0 h THR 125 Ca 0.06 -0.52 -0.67 0.00 -0.01 0.00 0.00 66.41 65.27 1lm0 h THR 125 Cb 1.00 1.09 -0.14 0.00 -1.07 0.00 0.00 68.15 69.03 1lm0 h THR 125 CO 0.24 0.00 1.40 -1.61 -0.01 0.00 0.00 175.52 175.54 1lm0 s GLU 126 N -3.18 3.78 -0.19 0.00 2.02 -1.08 -4.95 118.70 115.09 1lm0 s GLU 126 Ca 0.06 -1.80 -0.09 0.00 0.02 0.00 0.00 54.97 53.16 1lm0 s GLU 126 Cb 0.13 -5.20 -0.05 0.00 0.10 0.00 0.00 34.13 29.12 1lm0 s GLU 126 CO 0.73 -1.99 0.12 0.14 0.02 0.00 0.00 175.26 174.27 1lm0 s VAL 127 N 3.41 5.30 -0.06 2.63 -7.23 -1.26 -0.46 120.40 122.72 1lm0 s VAL 127 Ca 0.43 0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.80 1lm0 s VAL 127 Cb -0.01 -3.41 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 1lm0 s VAL 127 CO -0.04 0.45 -0.25 -0.76 -0.31 0.00 0.00 175.10 174.19 1lm0 s LEU 128 N 0.31 2.09 -0.63 1.32 2.01 0.21 -5.00 118.68 118.99 1lm0 s LEU 128 Ca 0.07 -0.51 0.04 0.00 0.01 0.00 0.00 54.13 53.75 1lm0 s LEU 128 Cb -0.11 -1.38 0.15 0.00 0.01 0.00 0.00 46.19 44.86 1lm0 s LEU 128 CO -0.01 0.24 0.40 0.00 1.01 0.00 0.00 176.35 177.98 1lm0 s ALA 129 N -0.14 3.61 -0.80 4.21 0.00 -1.26 -1.53 121.76 125.84 1lm0 s ALA 129 Ca -0.04 -3.59 -0.01 0.00 0.00 0.00 0.00 51.96 48.31 1lm0 s ALA 129 Cb -0.14 -2.18 0.36 0.00 0.00 0.00 0.00 23.12 21.16 1lm0 s ALA 129 CO 0.04 -2.07 1.91 0.36 0.00 0.00 0.00 175.76 176.00 1lm0 n LYS 130 N 2.48 2.86 -4.01 0.00 0.00 -1.26 -4.95 118.16 113.28 1lm0 n LYS 130 Ca 0.13 -3.66 -0.08 0.00 -0.00 0.00 0.00 58.31 54.70 1lm0 n LYS 130 Cb 0.34 -2.27 -0.10 0.00 -0.00 0.00 0.00 35.03 33.00 1lm0 n LYS 130 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1lm0 s HIS 131 N -4.01 0.38 0.00 5.58 3.76 -1.26 -5.12 115.29 114.62 1lm0 s HIS 131 Ca 0.51 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1lm0 s HIS 131 Cb 0.43 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.85 1lm0 s HIS 131 CO -0.39 -0.38 0.47 -0.25 -0.85 0.00 0.00 174.74 173.34