#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 5.10 -3.46 6.43 4.13 -1.26 -2.57 115.26 123.63 1lm0 n ASN 33 Ca 0.00 -3.19 -0.35 0.00 1.68 0.00 0.00 54.58 52.72 1lm0 n ASN 33 Cb 0.00 -1.18 -0.04 0.00 -1.54 0.00 0.00 39.78 37.02 1lm0 n ASN 33 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1lm0 n LEU 34 N 2.10 4.34 -3.63 3.41 4.77 -0.39 -4.84 117.00 122.76 1lm0 n LEU 34 Ca 0.24 -2.87 -0.41 0.00 -0.03 0.00 0.00 56.01 52.94 1lm0 n LEU 34 Cb 0.37 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.35 1lm0 n LEU 34 CO 0.48 -0.03 2.84 -3.20 -1.33 0.00 0.00 177.39 176.15 1lm0 n ASN 35 N 6.30 5.07 -4.22 -1.43 5.15 -1.22 -4.09 115.26 120.82 1lm0 n ASN 35 Ca 0.47 -2.79 -0.13 0.00 -0.60 0.00 0.00 54.58 51.54 1lm0 n ASN 35 Cb 0.30 -1.63 -0.10 0.00 -0.53 0.00 0.00 39.78 37.82 1lm0 n ASN 35 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1lm0 s LEU 36 N 1.63 2.40 -0.32 1.20 0.05 -1.26 -4.89 118.68 117.48 1lm0 s LEU 36 Ca 0.52 -1.06 -0.20 0.00 0.05 0.00 0.00 54.13 53.44 1lm0 s LEU 36 Cb 0.15 -0.15 -0.00 0.00 -2.05 0.00 0.00 46.19 44.14 1lm0 s LEU 36 CO -0.08 -0.46 0.62 -0.36 -0.55 0.00 0.00 176.35 175.52 1lm0 s PHE 37 N -3.55 3.19 0.15 3.48 0.08 -1.26 -0.69 117.98 119.39 1lm0 s PHE 37 Ca 0.17 0.48 0.08 0.00 0.12 0.00 0.00 56.93 57.78 1lm0 s PHE 37 Cb 0.05 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1lm0 s PHE 37 CO -0.00 -0.53 -0.07 0.71 -0.10 0.00 0.00 175.22 175.22 1lm0 s TYR 38 N 2.63 2.73 0.05 0.36 2.02 0.30 -4.90 117.35 120.54 1lm0 s TYR 38 Ca 0.25 -0.18 -0.27 0.00 -0.37 0.00 0.00 57.07 56.50 1lm0 s TYR 38 Cb -0.15 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 1lm0 s TYR 38 CO 0.13 0.48 0.83 0.95 -1.57 0.00 0.00 175.55 176.37 1lm0 s THR 39 N -1.53 4.72 0.25 -0.71 -4.23 -1.26 -0.67 115.64 112.21 1lm0 s THR 39 Ca 0.24 1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 62.47 1lm0 s THR 39 Cb -0.10 -4.18 0.24 0.00 1.34 0.00 0.00 72.50 69.80 1lm0 s THR 39 CO 0.15 0.32 1.89 1.55 -0.54 0.00 0.00 174.62 178.00 1lm0 h PRO 40 N 5.87 1.14 -0.49 3.99 0.13 -1.87 -0.71 132.00 140.06 1lm0 h PRO 40 Ca -0.43 -0.07 0.14 0.00 -0.87 0.00 0.00 66.00 64.77 1lm0 h PRO 40 Cb 1.21 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1lm0 h PRO 40 CO 0.72 0.75 0.37 1.03 -0.23 0.00 0.00 178.00 180.64 1lm0 h SER 41 N 1.17 0.00 0.46 1.44 0.87 -1.87 -1.15 113.55 114.47 1lm0 h SER 41 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1lm0 h SER 41 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1lm0 h SER 41 CO -0.13 0.00 -0.22 -0.08 -0.53 0.00 0.00 176.83 175.87 1lm0 h GLU 42 N 0.00 -0.59 -1.27 2.24 4.57 -1.46 -3.27 114.58 114.80 1lm0 h GLU 42 Ca 0.23 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1lm0 h GLU 42 Cb 0.96 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1lm0 h GLU 42 CO -0.00 -0.29 0.00 0.44 -1.18 0.00 0.00 179.01 177.98 1lm0 n ILE 43 N -5.24 0.60 -0.03 2.32 -5.35 -0.44 -0.89 119.36 110.32 1lm0 n ILE 43 Ca -0.10 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.38 1lm0 n ILE 43 Cb 0.30 -0.78 -0.09 0.00 -1.74 0.00 0.00 39.64 37.33 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 0.62 0.32 -3.65 7.28 0.31 -1.17 -3.50 118.33 118.54 1lm0 n VAL 44 Ca 0.00 -0.34 -0.27 0.00 -0.01 0.00 0.00 64.34 63.71 1lm0 n VAL 44 Cb 0.31 -0.18 -0.10 0.00 -0.91 0.00 0.00 33.84 32.96 1lm0 n VAL 44 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1lm0 n ASN 45 N -2.12 3.30 -1.51 4.52 3.02 -0.07 -4.75 115.26 117.65 1lm0 n ASN 45 Ca -0.09 -3.31 -0.04 0.00 -0.03 0.00 0.00 54.58 51.12 1lm0 n ASN 45 Cb 0.54 -0.71 0.02 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.42 0.28 0.00 7.41 0.00 -1.26 -5.01 105.19 108.02 1lm0 n GLY 46 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.67 0.00 -0.21 1.61 4.76 -1.26 -4.61 118.16 116.78 1lm0 n LYS 47 Ca -0.06 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.31 1lm0 n LYS 47 Cb 0.54 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.75 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 1.22 0.00 -0.18 2.02 -1.76 0.33 112.91 114.53 1lm0 h THR 48 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1lm0 h THR 48 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1lm0 h THR 48 CO 0.00 0.25 0.00 -0.90 0.37 0.00 0.00 175.52 175.24 1lm0 n ASP 49 N -4.51 0.00 0.05 4.18 5.75 -1.23 -1.88 116.55 118.91 1lm0 n ASP 49 Ca 0.03 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.45 1lm0 n ASP 49 Cb 0.14 -0.22 0.16 0.00 -1.03 0.00 0.00 41.12 40.16 1lm0 n ASP 49 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1lm0 n THR 50 N -2.14 0.30 -2.36 2.12 -1.04 -1.23 -4.52 114.28 105.40 1lm0 n THR 50 Ca 0.00 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 61.68 1lm0 n THR 50 Cb 0.00 -0.06 0.01 0.00 -1.82 0.00 0.00 70.33 68.46 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 1.35 0.16 0.16 3.41 0.00 0.11 -4.95 105.19 105.44 1lm0 n GLY 51 Ca 0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.28 1.39 0.00 1.61 -1.51 -1.75 -3.41 116.25 112.30 1lm0 h VAL 52 Ca -0.19 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 1lm0 h VAL 52 Cb 1.13 2.43 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 1lm0 h VAL 52 CO 0.21 0.73 0.00 0.29 -1.23 0.00 0.00 177.57 177.57 1lm0 n LYS 53 N -3.75 0.00 -2.60 5.19 4.76 -1.26 -4.94 118.16 115.55 1lm0 n LYS 53 Ca -0.07 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.94 1lm0 n LYS 53 Cb 0.84 -0.15 -0.02 0.00 -1.84 0.00 0.00 35.03 33.86 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 -0.96 3.62 0.70 1.97 0.04 -1.26 -5.02 135.00 134.08 1lm0 s PRO 54 Ca 0.00 0.40 -0.15 0.00 0.04 0.00 0.00 61.00 61.29 1lm0 s PRO 54 Cb 0.00 -3.96 0.02 0.00 0.04 0.00 0.00 34.50 30.60 1lm0 s PRO 54 CO 0.00 -1.51 1.17 -1.21 0.04 0.00 0.00 177.00 175.49 1lm0 s GLU 55 N 4.64 2.43 0.95 4.56 2.02 -1.26 -4.26 118.70 127.78 1lm0 s GLU 55 Ca 0.45 1.61 -0.11 0.00 0.02 0.00 0.00 54.97 56.94 1lm0 s GLU 55 Cb -0.07 -1.88 0.16 0.00 0.10 0.00 0.00 34.13 32.44 1lm0 s GLU 55 CO 0.29 -1.58 1.09 0.00 0.02 0.00 0.00 175.26 175.08 1lm0 s ALA 56 N -2.12 1.11 0.00 5.21 0.00 -1.26 -4.04 121.76 120.66 1lm0 s ALA 56 Ca 0.71 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1lm0 s ALA 56 Cb -0.25 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1lm0 s ALA 56 CO 0.43 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.82 1lm0 n GLY 57 N -0.29 0.44 3.30 0.00 0.00 0.54 -4.87 105.19 104.31 1lm0 n GLY 57 Ca 0.08 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.00 1.17 -0.26 1.61 -0.21 -1.25 -4.91 119.66 111.80 1lm0 s GLN 58 Ca 0.00 -1.26 -0.13 0.00 0.02 0.00 0.00 55.36 53.99 1lm0 s GLN 58 Cb 0.00 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.66 1lm0 s GLN 58 CO 0.00 0.29 0.29 0.50 -2.12 0.00 0.00 175.29 174.24 1lm0 s ARG 59 N -2.33 4.02 0.32 2.91 3.00 -1.06 -1.09 118.95 124.72 1lm0 s ARG 59 Ca 0.10 -0.10 0.01 0.00 -1.00 0.00 0.00 55.73 54.75 1lm0 s ARG 59 Cb -0.08 -3.63 -0.02 0.00 0.00 0.00 0.00 34.95 31.23 1lm0 s ARG 59 CO 0.05 -0.18 0.36 0.96 0.00 0.00 0.00 175.30 176.50 1lm0 s ILE 60 N 1.75 0.00 -0.07 4.11 -4.36 -0.65 -1.26 121.20 120.72 1lm0 s ILE 60 Ca 0.12 -1.80 0.03 0.00 -0.26 0.00 0.00 60.65 58.74 1lm0 s ILE 60 Cb -0.15 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.01 1lm0 s ILE 60 CO 0.09 0.00 -0.16 -0.13 0.24 0.00 0.00 174.94 174.98 1lm0 s ARG 61 N -3.35 2.04 -0.21 0.37 0.52 0.14 -2.04 118.95 116.42 1lm0 s ARG 61 Ca 0.35 -0.57 -0.16 0.00 -0.52 0.00 0.00 55.73 54.84 1lm0 s ARG 61 Cb 0.01 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 1lm0 s ARG 61 CO 0.22 0.12 0.39 0.54 0.02 0.00 0.00 175.30 176.59 1lm0 s VAL 62 N 0.43 5.20 -0.08 3.52 0.11 0.40 -0.54 120.40 129.44 1lm0 s VAL 62 Ca -0.13 0.67 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1lm0 s VAL 62 Cb -0.15 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1lm0 s VAL 62 CO 0.05 0.24 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.16 1lm0 s GLY 63 N 1.13 0.66 0.00 6.54 0.00 0.16 -0.32 107.32 115.48 1lm0 s GLY 63 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1lm0 s GLY 63 CO 0.08 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1lm0 n GLY 64 N 4.48 0.76 3.85 0.20 0.00 -1.18 -4.03 105.19 109.28 1lm0 n GLY 64 Ca -0.17 -0.74 -0.37 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 -0.80 3.61 -0.44 1.61 0.23 -0.83 -2.64 119.30 120.04 1lm0 s MET 65 Ca 0.00 -0.09 -0.16 0.00 -1.03 0.00 0.00 55.69 54.41 1lm0 s MET 65 Cb 0.00 -3.23 0.04 0.00 -1.53 0.00 0.00 34.83 30.11 1lm0 s MET 65 CO 0.00 0.69 0.39 0.08 -2.03 0.00 0.00 175.02 174.15 1lm0 s VAL 66 N -0.80 5.18 0.05 5.16 1.01 0.07 -1.42 120.40 129.65 1lm0 s VAL 66 Ca 0.15 -0.69 -0.35 0.00 0.00 0.00 0.00 61.98 61.08 1lm0 s VAL 66 Cb -0.12 -4.04 -0.18 0.00 0.00 0.00 0.00 36.38 32.03 1lm0 s VAL 66 CO 0.04 -0.46 0.88 0.41 0.00 0.00 0.00 175.10 175.97 1lm0 n THR 67 N 5.27 0.53 0.23 3.92 -1.04 -1.26 -1.55 114.28 120.39 1lm0 n THR 67 Ca -0.10 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 1lm0 n THR 67 Cb 0.46 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.90 1lm0 n THR 67 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1lm0 h VAL 68 N 2.35 0.00 -0.46 12.58 3.04 -1.93 -3.27 116.25 128.56 1lm0 h VAL 68 Ca -0.43 0.00 -0.72 0.00 -1.01 0.00 0.00 66.70 64.54 1lm0 h VAL 68 Cb 1.37 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 30.58 1lm0 h VAL 68 CO 0.60 0.00 2.85 0.61 -1.01 0.00 0.00 177.57 180.62 1lm0 n GLY 69 N -1.42 4.55 0.00 3.17 0.00 -1.26 -4.02 105.19 106.20 1lm0 n GLY 69 Ca -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 4.96 0.00 -4.66 1.61 7.64 -1.23 -5.02 113.62 116.92 1lm0 n SER 70 Ca 0.52 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 1lm0 n SER 70 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1lm0 n SER 70 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1lm0 s MET 71 N -1.00 4.15 -0.06 1.43 1.75 -1.26 -3.64 119.30 120.67 1lm0 s MET 71 Ca 0.00 2.50 0.05 0.00 -1.25 0.00 0.00 55.69 56.99 1lm0 s MET 71 Cb 0.00 -4.11 -0.00 0.00 2.84 0.00 0.00 34.83 33.56 1lm0 s MET 71 CO 0.00 -0.92 -0.22 0.14 -0.65 0.00 0.00 175.02 173.37 1lm0 s VAL 72 N 4.33 1.81 -0.03 10.11 -7.23 -0.15 -5.01 120.40 124.23 1lm0 s VAL 72 Ca 0.84 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 1lm0 s VAL 72 Cb -0.40 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1lm0 s VAL 72 CO 0.38 0.51 -0.20 0.00 -0.31 0.00 0.00 175.10 175.48 1lm0 s ARG 73 N 0.05 1.81 0.27 4.82 3.03 -1.26 -0.99 118.95 126.68 1lm0 s ARG 73 Ca -0.07 -0.71 -0.25 0.00 2.03 0.00 0.00 55.73 56.73 1lm0 s ARG 73 Cb -0.14 -1.65 -0.09 0.00 -1.03 0.00 0.00 34.95 32.04 1lm0 s ARG 73 CO 0.04 0.36 0.88 -0.51 -1.13 0.00 0.00 175.30 174.95 1lm0 s ASP 74 N -0.26 7.33 0.58 -2.89 1.11 -0.04 -4.94 116.67 117.56 1lm0 s ASP 74 Ca 0.02 1.75 0.28 0.00 0.18 0.00 0.00 52.55 54.78 1lm0 s ASP 74 Cb -0.10 -2.54 1.76 0.00 1.07 0.00 0.00 42.92 43.11 1lm0 s ASP 74 CO 0.01 0.01 2.24 1.55 1.18 0.00 0.00 175.17 180.16 1lm0 h PRO 75 N 3.48 0.00 -0.99 8.23 0.13 -2.01 -0.62 132.00 140.23 1lm0 h PRO 75 Ca -0.47 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.00 1lm0 h PRO 75 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1lm0 h PRO 75 CO 0.66 0.00 0.32 -0.91 -0.23 0.00 0.00 178.00 177.83 1lm0 h ASN 76 N 0.00 -0.01 0.00 1.44 2.35 -1.92 -3.46 115.58 113.99 1lm0 h ASN 76 Ca 0.00 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1lm0 h ASN 76 Cb 0.02 0.34 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1lm0 h ASN 76 CO -0.00 -0.36 0.00 -1.20 -1.65 0.00 0.00 177.43 174.22 1lm0 n SER 77 N -5.33 0.00 -0.08 5.81 7.64 -0.24 -4.86 113.62 116.56 1lm0 n SER 77 Ca 0.30 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.26 1lm0 n SER 77 Cb 1.01 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 64.32 1lm0 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm0 n LEU 78 N 0.00 2.16 -3.77 -3.43 -0.00 -1.26 -4.05 117.00 106.65 1lm0 n LEU 78 Ca 0.00 -2.79 -0.18 0.00 -0.00 0.00 0.00 56.01 53.04 1lm0 n LEU 78 Cb 0.00 -0.34 -0.17 0.00 -0.00 0.00 0.00 43.42 42.91 1lm0 n LEU 78 CO 0.00 0.65 -0.36 -1.00 -0.00 0.00 0.00 177.39 176.67 1lm0 s HIS 79 N -2.42 0.26 -0.04 1.47 3.76 -1.26 -2.07 115.29 114.99 1lm0 s HIS 79 Ca 0.25 0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 55.15 1lm0 s HIS 79 Cb 0.22 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 33.46 1lm0 s HIS 79 CO 0.02 -0.17 0.17 0.14 -0.85 0.00 0.00 174.74 174.06 1lm0 s VAL 80 N 1.46 0.04 0.05 -0.90 -7.23 0.02 -0.86 120.40 112.98 1lm0 s VAL 80 Ca -0.04 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 1lm0 s VAL 80 Cb -0.13 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.47 1lm0 s VAL 80 CO -0.03 -0.17 0.24 0.00 -0.31 0.00 0.00 175.10 174.83 1lm0 s GLN 81 N -0.57 0.77 -0.16 4.82 -2.07 -0.16 -0.97 119.66 121.32 1lm0 s GLN 81 Ca -0.07 -0.65 -0.13 0.00 -1.82 0.00 0.00 55.36 52.69 1lm0 s GLN 81 Cb -0.04 0.32 0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1lm0 s GLN 81 CO 0.01 -0.24 0.41 -0.59 -1.32 0.00 0.00 175.29 173.56 1lm0 s PHE 82 N -2.82 -0.48 0.14 9.60 -0.71 -0.12 -0.97 117.98 122.62 1lm0 s PHE 82 Ca -0.03 1.13 -0.26 0.00 -1.04 0.00 0.00 56.93 56.73 1lm0 s PHE 82 Cb 0.00 0.17 -0.07 0.00 -1.21 0.00 0.00 43.02 41.91 1lm0 s PHE 82 CO -0.05 -0.24 0.81 0.00 -1.34 0.00 0.00 175.22 174.40 1lm0 s ALA 83 N 0.46 3.40 0.04 1.99 0.00 -1.24 -0.52 121.76 125.89 1lm0 s ALA 83 Ca -0.02 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1lm0 s ALA 83 Cb -0.04 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1lm0 s ALA 83 CO -0.02 0.20 -0.13 0.54 0.00 0.00 0.00 175.76 176.35 1lm0 s VAL 84 N -0.81 1.05 0.29 0.00 0.11 0.19 -4.06 120.40 117.16 1lm0 s VAL 84 Ca 0.38 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1lm0 s VAL 84 Cb -0.23 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1lm0 s VAL 84 CO 0.27 -0.06 0.31 -1.38 -3.33 0.00 0.00 175.10 170.90 1lm0 s HIS 85 N -0.94 1.25 0.00 1.54 -3.43 -0.51 -0.51 115.29 112.69 1lm0 s HIS 85 Ca 0.00 -1.38 0.00 0.00 -0.80 0.00 0.00 55.06 52.88 1lm0 s HIS 85 Cb -0.08 -0.41 0.00 0.00 -1.43 0.00 0.00 32.58 30.66 1lm0 s HIS 85 CO 0.01 -0.89 0.00 -3.47 -2.00 0.00 0.00 174.74 168.40 1lm0 n ASP 86 N -1.01 0.00 -3.68 7.38 -0.08 -1.21 -1.96 116.55 115.99 1lm0 n ASP 86 Ca 0.03 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.90 1lm0 n ASP 86 Cb 0.63 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.09 1lm0 n ASP 86 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1lm0 n SER 87 N 0.00 5.93 0.00 1.67 2.88 -1.26 -4.84 113.62 118.00 1lm0 n SER 87 Ca 0.00 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 1lm0 n SER 87 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 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 3.83 0.00 -0.74 2.46 7.99 -1.26 -4.34 117.00 124.95 1lm0 n LEU 88 Ca 0.52 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.56 1lm0 n LEU 88 Cb 0.33 0.00 0.20 0.00 -0.11 0.00 0.00 43.42 43.84 1lm0 n LEU 88 CO 0.81 0.00 0.57 0.61 -1.51 0.00 0.00 177.39 177.87 1lm0 n GLY 89 N 0.00 4.85 3.26 -0.72 0.00 -1.26 -4.94 105.19 106.37 1lm0 n GLY 89 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 46.02 44.85 1lm0 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lm0 s GLY 90 N -2.73 -0.12 0.11 -0.02 0.00 -1.26 -4.98 107.32 98.32 1lm0 s GLY 90 Ca 0.40 3.12 0.07 0.00 0.00 0.00 0.00 44.72 48.31 1lm0 s GLY 90 CO -0.00 3.48 -0.08 -1.83 0.00 0.00 0.00 173.10 174.66 1lm0 s GLU 91 N 2.52 2.19 0.09 2.90 -1.05 -1.26 -3.33 118.70 120.76 1lm0 s GLU 91 Ca -0.01 -1.03 0.05 0.00 -0.15 0.00 0.00 54.97 53.83 1lm0 s GLU 91 Cb -0.06 -2.33 -0.03 0.00 -0.44 0.00 0.00 34.13 31.27 1lm0 s GLU 91 CO -0.15 0.50 -0.12 0.42 0.95 0.00 0.00 175.26 176.86 1lm0 s ILE 92 N -1.30 1.09 -0.28 1.83 -1.09 0.33 -4.84 121.20 116.94 1lm0 s ILE 92 Ca 0.23 -1.53 -0.05 0.00 -2.23 0.00 0.00 60.65 57.07 1lm0 s ILE 92 Cb -0.11 -1.28 0.01 0.00 -1.58 0.00 0.00 42.46 39.50 1lm0 s ILE 92 CO 0.15 -0.40 0.04 -0.76 -1.23 0.00 0.00 174.94 172.74 1lm0 s LEU 93 N -2.18 3.64 -0.07 2.97 1.43 -1.26 -0.64 118.68 122.57 1lm0 s LEU 93 Ca 0.03 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 1lm0 s LEU 93 Cb -0.06 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1lm0 s LEU 93 CO 0.02 -0.17 0.28 -0.69 0.23 0.00 0.00 176.35 176.02 1lm0 s VAL 94 N 1.45 5.27 0.10 -1.59 1.01 0.32 -3.07 120.40 123.90 1lm0 s VAL 94 Ca 0.02 0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.61 1lm0 s VAL 94 Cb -0.17 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1lm0 s VAL 94 CO 0.01 0.57 -0.14 0.42 0.00 0.00 0.00 175.10 175.96 1lm0 s THR 95 N -0.84 3.12 -0.19 3.92 -4.23 0.35 -0.95 115.64 116.83 1lm0 s THR 95 Ca 0.19 -1.35 -0.05 0.00 -1.18 0.00 0.00 61.69 59.30 1lm0 s THR 95 Cb -0.14 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.35 1lm0 s THR 95 CO 0.08 0.12 0.35 -0.47 -0.54 0.00 0.00 174.62 174.16 1lm0 s TYR 96 N -1.16 -0.65 -0.79 3.99 6.14 -0.15 -2.22 117.35 122.51 1lm0 s TYR 96 Ca 0.19 1.10 -0.00 0.00 0.64 0.00 0.00 57.07 59.00 1lm0 s TYR 96 Cb -0.11 0.08 0.36 0.00 0.42 0.00 0.00 41.96 42.72 1lm0 s TYR 96 CO 0.12 -0.51 1.80 -0.40 0.64 0.00 0.00 175.55 177.21 1lm0 n ASP 97 N 5.37 6.91 -3.16 4.32 5.75 -1.26 -0.79 116.55 133.67 1lm0 n ASP 97 Ca -0.06 -3.80 -0.03 0.00 -0.01 0.00 0.00 54.79 50.89 1lm0 n ASP 97 Cb 0.50 -0.95 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 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 -0.46 -1.67 -4.76 -1.12 -0.08 -0.88 -4.76 116.55 102.80 1lm0 n ASP 98 Ca 0.50 -1.89 -0.36 0.00 -1.51 0.00 0.00 54.79 51.52 1lm0 n ASP 98 Cb 0.32 2.72 0.01 0.00 2.34 0.00 0.00 41.12 46.51 1lm0 n ASP 98 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1lm0 s LEU 99 N 0.00 3.81 0.11 -2.67 1.02 -1.26 -4.39 118.68 115.31 1lm0 s LEU 99 Ca 0.21 2.34 0.02 0.00 0.02 0.00 0.00 54.13 56.72 1lm0 s LEU 99 Cb -0.03 -4.45 -0.04 0.00 0.02 0.00 0.00 46.19 41.69 1lm0 s LEU 99 CO 0.06 -1.27 0.20 -0.76 0.02 0.00 0.00 176.35 174.59 1lm0 s LEU 100 N -3.62 4.17 0.34 1.79 1.43 -1.26 -5.08 118.68 116.45 1lm0 s LEU 100 Ca 0.71 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.65 1lm0 s LEU 100 Cb -0.29 -2.78 -0.11 0.00 0.03 0.00 0.00 46.19 43.04 1lm0 s LEU 100 CO 0.33 0.12 1.54 -2.16 0.23 0.00 0.00 176.35 176.41 1lm0 s PRO 101 N -2.80 4.11 -0.86 1.29 0.04 -1.26 -2.51 135.00 133.01 1lm0 s PRO 101 Ca 0.33 2.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.95 1lm0 s PRO 101 Cb -0.12 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1lm0 s PRO 101 CO 0.26 -0.59 0.03 -0.25 0.04 0.00 0.00 177.00 176.49 1lm0 n ASP 102 N 1.26 -3.32 -0.51 6.66 9.92 -1.26 -0.02 116.55 129.28 1lm0 n ASP 102 Ca 0.04 0.22 -0.06 0.00 -0.53 0.00 0.00 54.79 54.46 1lm0 n ASP 102 Cb 0.38 -2.85 -0.03 0.00 -0.64 0.00 0.00 41.12 37.99 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 -2.79 0.15 -2.72 0.64 7.94 -1.05 -3.57 117.00 115.60 1lm0 n LEU 103 Ca -0.11 0.16 -0.03 0.00 -1.11 0.00 0.00 56.01 54.92 1lm0 n LEU 103 Cb 0.59 -2.43 -0.02 0.00 0.53 0.00 0.00 43.42 42.08 1lm0 n LEU 103 CO 0.16 -0.94 -0.55 0.33 -1.11 0.00 0.00 177.39 175.28 1lm0 n PHE 104 N -1.96 -3.71 -2.49 1.96 -0.00 0.97 -4.90 117.46 107.33 1lm0 n PHE 104 Ca -0.06 1.95 -0.42 0.00 -0.00 0.00 0.00 57.45 58.92 1lm0 n PHE 104 Cb 0.51 -3.56 -0.03 0.00 -0.00 0.00 0.00 39.48 36.40 1lm0 n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lm0 s ARG 105 N -0.99 4.35 0.77 -4.13 1.81 -1.23 -4.99 118.95 114.53 1lm0 s ARG 105 Ca -0.15 1.63 -0.11 0.00 -1.72 0.00 0.00 55.73 55.38 1lm0 s ARG 105 Cb 0.01 -3.57 0.06 0.00 -0.45 0.00 0.00 34.95 31.00 1lm0 s ARG 105 CO 0.68 -0.45 1.14 -1.21 -0.68 0.00 0.00 175.30 174.79 1lm0 s GLU 106 N 2.27 2.28 -0.56 3.54 8.01 -1.26 -4.49 118.70 128.50 1lm0 s GLU 106 Ca 0.55 0.20 -0.02 0.00 0.01 0.00 0.00 54.97 55.70 1lm0 s GLU 106 Cb -0.23 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 27.59 1lm0 s GLU 106 CO 0.21 -1.38 0.47 0.41 0.01 0.00 0.00 175.26 174.98 1lm0 n GLY 107 N -3.18 0.18 3.72 -1.39 0.00 -0.59 -4.92 105.19 99.01 1lm0 n GLY 107 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.03 1.69 -0.10 1.61 -2.07 -1.22 -4.98 119.66 109.55 1lm0 s GLN 108 Ca 0.11 -1.14 -0.19 0.00 -1.82 0.00 0.00 55.36 52.32 1lm0 s GLN 108 Cb -0.05 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1lm0 s GLN 108 CO 0.32 -0.74 0.52 0.20 -1.32 0.00 0.00 175.29 174.27 1lm0 s GLY 109 N -2.98 2.44 0.07 2.60 0.00 -1.26 -0.75 107.32 107.44 1lm0 s GLY 109 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1lm0 s GLY 109 CO 0.08 0.83 -0.05 -0.26 0.00 0.00 0.00 173.10 173.70 1lm0 s ILE 110 N 0.60 0.43 -0.13 0.90 -5.25 -1.08 -4.03 121.20 112.64 1lm0 s ILE 110 Ca 0.28 -1.73 0.03 0.00 -0.99 0.00 0.00 60.65 58.24 1lm0 s ILE 110 Cb -0.16 -1.41 0.01 0.00 2.95 0.00 0.00 42.46 43.85 1lm0 s ILE 110 CO 0.12 -0.86 -0.23 0.68 -1.79 0.00 0.00 174.94 172.86 1lm0 s VAL 111 N -3.40 2.06 -0.14 8.37 -7.23 -0.57 -3.08 120.40 116.41 1lm0 s VAL 111 Ca 0.06 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1lm0 s VAL 111 Cb 0.04 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 1lm0 s VAL 111 CO -0.06 0.55 -0.18 0.00 -0.31 0.00 0.00 175.10 175.10 1lm0 s ALA 112 N 0.67 2.40 -0.02 1.32 0.00 0.56 -0.26 121.76 126.42 1lm0 s ALA 112 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1lm0 s ALA 112 Cb -0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1lm0 s ALA 112 CO 0.01 0.08 -0.00 -0.65 0.00 0.00 0.00 175.76 175.21 1lm0 s GLN 113 N 0.64 2.82 0.00 0.00 -0.21 0.18 -0.45 119.66 122.64 1lm0 s GLN 113 Ca -0.09 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1lm0 s GLN 113 Cb -0.16 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 31.16 1lm0 s GLN 113 CO 0.02 0.64 0.00 0.41 -2.12 0.00 0.00 175.29 174.25 1lm0 n GLY 114 N 1.60 -0.68 3.09 3.09 0.00 -0.86 -1.14 105.19 110.29 1lm0 n GLY 114 Ca -0.16 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 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 0.86 0.37 1.61 0.11 0.13 -1.64 120.40 117.84 1lm0 s VAL 115 Ca 0.00 -0.82 -0.10 0.00 -2.93 0.00 0.00 61.98 58.12 1lm0 s VAL 115 Cb 0.00 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 33.99 1lm0 s VAL 115 CO 0.00 -0.02 0.72 -0.76 -3.33 0.00 0.00 175.10 171.71 1lm0 s LEU 116 N -0.95 3.91 0.48 2.54 1.02 -0.25 -0.58 118.68 124.85 1lm0 s LEU 116 Ca -0.00 1.07 0.00 0.00 0.02 0.00 0.00 54.13 55.22 1lm0 s LEU 116 Cb -0.07 -3.93 0.00 0.00 0.02 0.00 0.00 46.19 42.21 1lm0 s LEU 116 CO 0.01 -0.33 0.00 0.61 0.02 0.00 0.00 176.35 176.66 1lm0 n GLY 117 N -1.06 -1.76 3.77 -3.19 0.00 -1.25 -0.34 105.19 101.36 1lm0 n GLY 117 Ca 0.02 0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1lm0 n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm0 s GLU 118 N -2.00 3.68 -1.18 1.61 2.12 -1.25 -4.62 118.70 117.07 1lm0 s GLU 118 Ca 0.00 2.44 -0.09 0.00 0.36 0.00 0.00 54.97 57.68 1lm0 s GLU 118 Cb 0.00 -2.66 -0.13 0.00 0.26 0.00 0.00 34.13 31.60 1lm0 s GLU 118 CO 0.00 -0.83 3.01 -0.40 -0.54 0.00 0.00 175.26 176.51 1lm0 n ASP 119 N -0.19 7.54 0.00 -1.70 5.75 -1.26 -3.11 116.55 123.59 1lm0 n ASP 119 Ca 0.05 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 1lm0 n ASP 119 Cb 0.42 -1.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.04 1lm0 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lm0 n GLY 120 N 3.35 0.70 3.62 6.12 0.00 -1.26 -4.91 105.19 112.80 1lm0 n GLY 120 Ca 0.67 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 46.41 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 2.23 0.03 1.61 3.01 -1.18 -4.64 119.74 120.80 1lm0 s LYS 121 Ca 0.00 -1.32 0.08 0.00 -1.01 0.00 0.00 55.97 53.72 1lm0 s LYS 121 Cb 0.00 -2.19 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 1lm0 s LYS 121 CO 0.00 0.40 -0.22 -0.51 0.51 0.00 0.00 175.35 175.53 1lm0 s LEU 122 N -3.27 2.37 -0.56 3.17 1.02 -1.17 -3.77 118.68 116.47 1lm0 s LEU 122 Ca 0.29 -0.49 -0.10 0.00 0.02 0.00 0.00 54.13 53.85 1lm0 s LEU 122 Cb -0.08 -1.40 0.14 0.00 0.02 0.00 0.00 46.19 44.87 1lm0 s LEU 122 CO 0.18 0.27 0.44 0.00 0.02 0.00 0.00 176.35 177.26 1lm0 s ALA 123 N -0.83 3.56 -0.02 4.21 0.00 0.25 -0.50 121.76 128.44 1lm0 s ALA 123 Ca 0.13 -2.75 -0.00 0.00 0.00 0.00 0.00 51.96 49.33 1lm0 s ALA 123 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1lm0 s ALA 123 CO 0.03 -2.00 0.03 0.00 0.00 0.00 0.00 175.76 173.82 1lm0 s ALA 124 N 1.02 3.41 0.00 0.00 0.00 -0.94 -0.70 121.76 124.56 1lm0 s ALA 124 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1lm0 s ALA 124 Cb -0.23 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1lm0 s ALA 124 CO -0.02 0.65 0.00 -2.37 0.00 0.00 0.00 175.76 174.02 1lm0 n THR 125 N 1.48 0.00 -2.76 0.00 5.66 -0.29 -4.42 114.28 113.95 1lm0 n THR 125 Ca -0.15 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.42 1lm0 n THR 125 Cb 0.53 -0.48 -0.01 0.00 -1.55 0.00 0.00 70.33 68.82 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 -1.53 3.83 -0.54 1.09 2.02 -0.64 -4.90 118.70 118.02 1lm0 s GLU 126 Ca 0.00 -1.90 -0.23 0.00 0.02 0.00 0.00 54.97 52.87 1lm0 s GLU 126 Cb 0.00 -5.22 0.05 0.00 0.10 0.00 0.00 34.13 29.06 1lm0 s GLU 126 CO 0.00 -1.99 0.84 0.14 0.02 0.00 0.00 175.26 174.27 1lm0 s VAL 127 N 3.30 4.54 -0.49 2.63 -7.23 -1.26 -0.64 120.40 121.25 1lm0 s VAL 127 Ca 0.44 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.48 1lm0 s VAL 127 Cb -0.01 -4.46 0.06 0.00 0.56 0.00 0.00 36.38 32.53 1lm0 s VAL 127 CO -0.03 -1.01 0.53 -0.76 -0.31 0.00 0.00 175.10 173.52 1lm0 s LEU 128 N 3.53 5.17 -0.38 1.32 2.01 0.64 -4.96 118.68 126.02 1lm0 s LEU 128 Ca 0.26 -1.02 -0.07 0.00 0.01 0.00 0.00 54.13 53.31 1lm0 s LEU 128 Cb -0.15 -2.36 -0.21 0.00 0.01 0.00 0.00 46.19 43.49 1lm0 s LEU 128 CO 0.17 -0.78 3.43 0.00 1.01 0.00 0.00 176.35 180.18 1lm0 n ALA 129 N 5.79 6.64 -1.90 4.21 0.00 -1.26 -1.51 120.51 132.48 1lm0 n ALA 129 Ca -0.08 -2.28 -0.42 0.00 0.00 0.00 0.00 53.44 50.65 1lm0 n ALA 129 Cb 0.45 -2.53 -0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 2.61 2.82 -2.90 0.00 2.85 -1.26 -4.81 118.16 117.47 1lm0 n LYS 130 Ca 0.51 -2.71 -0.39 0.00 -1.05 0.00 0.00 58.31 54.67 1lm0 n LYS 130 Cb 0.75 -3.33 -0.00 0.00 -0.65 0.00 0.00 35.03 31.80 1lm0 n LYS 130 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1lm0 n HIS 131 N 6.91 2.74 1.66 5.58 -0.00 -1.26 -4.87 115.22 125.99 1lm0 n HIS 131 Ca 0.51 -2.86 0.15 0.00 0.46 0.00 0.00 57.72 55.98 1lm0 n HIS 131 Cb 0.41 -1.09 0.66 0.00 -0.12 0.00 0.00 29.99 29.85 1lm0 n HIS 131 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40