#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lom n GLY 2 N 0.00 2.49 2.45 -0.72 0.00 -1.26 -4.94 105.19 103.20 1lom n GLY 2 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1lom n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lom n LYS 3 N 11.19 -1.65 -0.34 1.61 5.02 -1.26 -4.90 118.16 127.84 1lom n LYS 3 Ca 0.00 1.04 0.06 0.00 -2.02 0.00 0.00 58.31 57.39 1lom n LYS 3 Cb 0.00 -5.62 0.24 0.00 -0.02 0.00 0.00 35.03 29.63 1lom n LYS 3 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1lom h PHE 4 N 0.00 1.10 -0.43 2.13 -0.00 -2.01 -2.74 116.94 115.00 1lom h PHE 4 Ca -0.46 0.03 0.12 0.00 -0.00 0.00 0.00 57.97 57.66 1lom h PHE 4 Cb 1.34 -0.36 -0.02 0.00 -0.00 0.00 0.00 35.95 36.92 1lom h PHE 4 CO 0.57 0.50 0.42 0.66 -0.00 0.00 0.00 178.31 180.46 1lom h SER 5 N 1.01 0.00 0.78 -0.68 4.64 -1.90 -2.39 113.55 115.01 1lom h SER 5 Ca 0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.75 1lom h SER 5 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1lom h SER 5 CO -0.21 0.00 -0.11 1.56 -0.87 0.00 0.00 176.83 177.19 1lom h GLN 6 N 0.00 0.00 0.00 4.77 1.08 -1.89 -3.24 115.11 115.82 1lom h GLN 6 Ca 0.20 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1lom h GLN 6 Cb 1.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1lom h GLN 6 CO -0.00 0.11 -0.25 0.25 -0.95 0.00 0.00 178.83 177.99 1lom n THR 7 N -3.32 1.38 -4.34 -0.54 -2.24 -0.91 -5.07 114.28 99.24 1lom n THR 7 Ca -0.00 -1.80 -0.18 0.00 -2.27 0.00 0.00 64.05 59.80 1lom n THR 7 Cb 0.33 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 1lom n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lom s TYR 9 N -3.29 0.32 -1.32 0.00 1.13 0.03 -4.90 117.35 109.31 1lom s TYR 9 Ca 0.27 -0.68 -0.08 0.00 -1.41 0.00 0.00 57.07 55.17 1lom s TYR 9 Cb 0.04 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.95 1lom s TYR 9 CO 0.08 -0.79 1.06 0.09 -2.51 0.00 0.00 175.55 173.48 1lom n ASN 10 N -0.26 -6.17 -4.79 -0.18 5.03 -1.26 -1.34 115.26 106.29 1lom n ASN 10 Ca -0.07 -0.48 -0.34 0.00 0.87 0.00 0.00 54.58 54.56 1lom n ASN 10 Cb 0.63 -4.82 -0.02 0.00 -1.02 0.00 0.00 39.78 34.55 1lom n ASN 10 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1lom s SER 11 N -3.22 6.05 0.01 6.41 0.01 -1.26 -4.46 113.70 117.24 1lom s SER 11 Ca 0.52 1.98 -0.25 0.00 1.31 0.00 0.00 55.95 59.51 1lom s SER 11 Cb -0.23 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.50 1lom s SER 11 CO 0.65 -0.99 0.57 0.00 0.41 0.00 0.00 173.24 173.88 1lom s ALA 12 N -2.02 -1.48 -0.08 1.44 0.00 -0.31 -4.99 121.76 114.32 1lom s ALA 12 Ca 0.68 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1lom s ALA 12 Cb -0.18 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1lom s ALA 12 CO 0.25 -0.45 -0.19 0.42 0.00 0.00 0.00 175.76 175.79 1lom s ILE 13 N -1.98 1.62 -0.11 0.00 1.01 -1.26 -1.19 121.20 119.29 1lom s ILE 13 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1lom s ILE 13 Cb -0.01 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 41.07 1lom s ILE 13 CO 0.02 0.46 -0.03 -1.10 0.00 0.00 0.00 174.94 174.30 1lom s GLN 14 N 0.43 1.02 7.93 2.79 -0.21 -0.73 -5.01 119.66 125.89 1lom s GLN 14 Ca -0.15 -0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1lom s GLN 14 Cb -0.16 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1lom s GLN 14 CO 0.06 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 1lom n GLY 15 N 5.03 3.98 0.48 3.09 0.00 -1.26 -1.40 105.19 115.12 1lom n GLY 15 Ca -0.10 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1lom n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lom n SER 16 N 9.10 1.96 -4.68 1.61 2.88 -1.26 -4.98 113.62 118.24 1lom n SER 16 Ca 0.00 -1.48 -0.36 0.00 -1.33 0.00 0.00 58.87 55.70 1lom n SER 16 Cb 0.00 0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 1lom n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1lom s VAL 17 N -2.21 5.34 -0.18 2.46 1.01 -0.49 -0.18 120.40 126.15 1lom s VAL 17 Ca 0.17 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 1lom s VAL 17 Cb 0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1lom s VAL 17 CO 0.49 0.36 0.19 -0.22 0.00 0.00 0.00 175.10 175.92 1lom s LEU 18 N 0.89 4.23 0.02 3.92 0.20 0.03 -1.77 118.68 126.20 1lom s LEU 18 Ca 0.10 0.34 0.06 0.00 0.69 0.00 0.00 54.13 55.32 1lom s LEU 18 Cb -0.13 -2.20 -0.02 0.00 -0.43 0.00 0.00 46.19 43.41 1lom s LEU 18 CO 0.03 0.16 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.18 1lom s THR 19 N 0.35 1.44 0.09 3.68 2.01 -0.33 -0.89 115.64 121.99 1lom s THR 19 Ca 0.11 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 60.88 1lom s THR 19 Cb -0.12 -1.24 0.07 0.00 0.01 0.00 0.00 72.50 71.21 1lom s THR 19 CO 0.00 0.24 0.60 -0.55 -0.69 0.00 0.00 174.62 174.22 1lom s SER 20 N -0.88 -0.57 -0.33 3.53 0.15 -0.87 -1.17 113.70 113.57 1lom s SER 20 Ca 0.06 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.80 1lom s SER 20 Cb -0.08 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1lom s SER 20 CO 0.01 -0.84 0.17 -0.89 1.20 0.00 0.00 173.24 172.88 1lom s THR 21 N -2.95 4.53 0.10 6.45 2.01 -0.45 -2.12 115.64 123.22 1lom s THR 21 Ca -0.03 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1lom s THR 21 Cb -0.01 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1lom s THR 21 CO -0.06 -0.05 -0.15 0.00 -0.69 0.00 0.00 174.62 173.68 1lom s GLU 23 N -2.09 4.33 0.37 0.00 2.12 -0.53 -0.49 118.70 122.41 1lom s GLU 23 Ca 0.19 2.05 -0.08 0.00 0.36 0.00 0.00 54.97 57.50 1lom s GLU 23 Cb -0.11 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 1lom s GLU 23 CO 0.11 -0.43 0.69 1.03 -0.54 0.00 0.00 175.26 176.12 1lom s ARG 24 N 1.15 3.69 0.20 4.30 0.52 -0.25 -4.93 118.95 123.63 1lom s ARG 24 Ca 0.64 0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 56.02 1lom s ARG 24 Cb -0.36 -2.49 0.13 0.00 0.52 0.00 0.00 34.95 32.75 1lom s ARG 24 CO 0.30 0.04 1.74 0.00 0.02 0.00 0.00 175.30 177.39 1lom h THR 25 N 1.07 1.26 -1.55 0.02 1.03 -1.96 -3.21 112.91 109.57 1lom h THR 25 Ca -0.47 -0.90 -0.76 0.00 -0.01 0.00 0.00 66.41 64.26 1lom h THR 25 Cb 1.19 0.46 -0.17 0.00 -1.07 0.00 0.00 68.15 68.56 1lom h THR 25 CO 0.64 0.36 1.95 -0.46 -0.01 0.00 0.00 175.52 178.00 1lom n ASN 26 N -4.27 6.97 -1.12 0.00 6.94 -1.26 -4.98 115.26 117.55 1lom n ASN 26 Ca 0.06 -3.24 0.10 0.00 -0.02 0.00 0.00 54.58 51.48 1lom n ASN 26 Cb 0.23 -1.36 -0.06 0.00 -2.36 0.00 0.00 39.78 36.23 1lom n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lom n GLY 27 N 1.72 -2.13 0.00 4.83 0.00 -1.21 -5.00 105.19 103.39 1lom n GLY 27 Ca 0.50 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1lom n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lom n GLY 28 N -3.79 -1.40 3.51 -0.02 0.00 -1.26 -4.52 105.19 97.71 1lom n GLY 28 Ca -0.06 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 1lom n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lom s TYR 29 N -2.68 2.29 -0.06 1.61 1.51 -1.26 -1.10 117.35 117.67 1lom s TYR 29 Ca 0.00 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.51 1lom s TYR 29 Cb 0.00 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1lom s TYR 29 CO 0.00 0.55 0.15 1.21 -1.11 0.00 0.00 175.55 176.35 1lom s ASN 30 N -3.56 -0.13 -0.21 2.29 2.47 0.36 -4.89 114.94 111.27 1lom s ASN 30 Ca 0.31 0.30 -0.11 0.00 0.42 0.00 0.00 52.86 53.79 1lom s ASN 30 Cb 0.01 0.24 -0.05 0.00 -1.45 0.00 0.00 41.25 40.00 1lom s ASN 30 CO 0.15 -0.11 0.16 -0.89 -3.72 0.00 0.00 177.10 172.69 1lom s THR 31 N 0.75 5.38 0.15 -5.21 2.01 -1.26 -0.27 115.64 117.19 1lom s THR 31 Ca -0.06 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 1lom s THR 31 Cb -0.07 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1lom s THR 31 CO -0.04 0.39 0.16 -0.94 -0.69 0.00 0.00 174.62 173.51 1lom s SER 32 N 0.66 0.18 0.14 3.53 1.04 -0.90 -5.01 113.70 113.35 1lom s SER 32 Ca 0.09 -1.08 0.06 0.00 0.48 0.00 0.00 55.95 55.50 1lom s SER 32 Cb -0.12 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1lom s SER 32 CO 0.01 -0.81 -0.14 -0.44 0.98 0.00 0.00 173.24 172.84 1lom s SER 33 N -3.02 2.12 -0.07 7.02 0.01 -1.26 -2.05 113.70 116.44 1lom s SER 33 Ca 0.22 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 1lom s SER 33 Cb 0.06 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.24 1lom s SER 33 CO 0.02 -0.17 0.17 -0.51 0.41 0.00 0.00 173.24 173.17 1lom s ILE 34 N -2.44 -0.03 -0.40 1.44 2.07 -0.07 -5.00 121.20 116.77 1lom s ILE 34 Ca 0.13 0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 59.29 1lom s ILE 34 Cb -0.03 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.30 1lom s ILE 34 CO 0.04 0.05 0.62 -0.62 -1.91 0.00 0.00 174.94 173.12 1lom s ASP 35 N 0.90 6.35 0.00 4.50 -1.08 -1.26 -0.79 116.67 125.29 1lom s ASP 35 Ca -0.07 -0.16 0.30 0.00 -0.52 0.00 0.00 52.55 52.10 1lom s ASP 35 Cb -0.08 -2.31 1.37 0.00 -1.46 0.00 0.00 42.92 40.43 1lom s ASP 35 CO -0.05 -0.68 1.98 0.18 0.52 0.00 0.00 175.17 177.12 1lom n LEU 36 N 6.11 0.05 -0.28 -1.34 4.77 0.75 -4.39 117.00 122.67 1lom n LEU 36 Ca -0.02 0.34 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1lom n LEU 36 Cb 0.48 -0.36 0.22 0.00 -2.33 0.00 0.00 43.42 41.44 1lom n LEU 36 CO 0.51 0.01 0.87 -1.13 -1.33 0.00 0.00 177.39 176.32 1lom h ASN 37 N 0.04 -0.22 0.84 -1.43 -0.73 -1.87 -2.00 115.58 110.22 1lom h ASN 37 Ca 0.00 0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1lom h ASN 37 Cb 0.38 0.32 0.00 0.00 0.27 0.00 0.00 38.32 39.29 1lom h ASN 37 CO 0.00 -0.18 -0.78 0.77 -0.37 0.00 0.00 177.43 176.87 1lom h SER 38 N 0.14 0.00 -0.00 1.15 4.64 -1.96 -3.34 113.55 114.17 1lom h SER 38 Ca 0.48 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1lom h SER 38 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1lom h SER 38 CO -0.68 0.09 -0.21 1.33 -0.87 0.00 0.00 176.83 176.49 1lom n VAL 39 N -2.24 0.00 -4.66 0.95 0.24 -0.88 -4.79 118.33 106.94 1lom n VAL 39 Ca 0.02 -0.36 -0.25 0.00 -2.04 0.00 0.00 64.34 61.72 1lom n VAL 39 Cb 0.47 1.24 -0.16 0.00 -1.47 0.00 0.00 33.84 33.92 1lom n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1lom s ILE 40 N -2.23 1.21 0.28 1.34 1.01 -0.80 -0.33 121.20 121.69 1lom s ILE 40 Ca 0.25 -0.55 0.11 0.00 0.00 0.00 0.00 60.65 60.45 1lom s ILE 40 Cb 0.19 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 1lom s ILE 40 CO 0.43 0.37 -0.16 -1.83 0.00 0.00 0.00 174.94 173.74 1lom s GLU 41 N 0.43 1.64 -0.37 2.79 -1.05 -0.03 -4.78 118.70 117.32 1lom s GLU 41 Ca -0.11 -1.77 -0.10 0.00 -0.15 0.00 0.00 54.97 52.85 1lom s GLU 41 Cb -0.14 -1.61 0.04 0.00 -0.44 0.00 0.00 34.13 31.98 1lom s GLU 41 CO 0.03 0.25 0.19 1.21 0.95 0.00 0.00 175.26 177.90 1lom s ASN 42 N -3.49 5.63 -0.42 0.83 2.47 -1.26 -1.34 114.94 117.36 1lom s ASN 42 Ca 0.29 -1.11 -0.06 0.00 0.42 0.00 0.00 52.86 52.40 1lom s ASN 42 Cb -0.02 -1.99 0.10 0.00 -1.45 0.00 0.00 41.25 37.89 1lom s ASN 42 CO 0.14 -0.40 0.24 -0.69 -3.72 0.00 0.00 177.10 172.67 1lom s VAL 43 N 1.50 3.71 -1.54 -5.21 1.01 -0.50 -4.67 120.40 114.70 1lom s VAL 43 Ca 0.01 -1.81 -0.14 0.00 0.00 0.00 0.00 61.98 60.05 1lom s VAL 43 Cb -0.20 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1lom s VAL 43 CO 0.05 -0.64 0.96 -0.67 0.00 0.00 0.00 175.10 174.80 1lom n ASP 44 N 4.75 -4.55 0.00 3.32 2.03 -1.26 -2.20 116.55 118.63 1lom n ASP 44 Ca -0.06 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1lom n ASP 44 Cb 0.42 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 1lom n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lom n GLY 45 N -1.68 0.76 3.34 0.27 0.00 -1.26 -5.07 105.19 101.55 1lom n GLY 45 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1lom n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lom s SER 46 N -2.00 3.39 0.02 1.61 1.04 -0.94 -5.08 113.70 111.75 1lom s SER 46 Ca 0.00 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 1lom s SER 46 Cb 0.00 -0.83 -0.05 0.00 0.10 0.00 0.00 66.02 65.24 1lom s SER 46 CO 0.00 0.28 1.31 -0.76 0.98 0.00 0.00 173.24 175.05 1lom s LEU 47 N -0.33 4.33 0.12 2.42 1.43 -1.26 -1.41 118.68 123.98 1lom s LEU 47 Ca 0.02 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 1lom s LEU 47 Cb -0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1lom s LEU 47 CO 0.02 -0.63 -0.11 -0.54 0.23 0.00 0.00 176.35 175.33 1lom s LYS 48 N 1.84 0.97 0.24 1.70 -0.14 -0.45 -4.97 119.74 118.93 1lom s LYS 48 Ca 0.61 -1.30 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 1lom s LYS 48 Cb -0.31 -0.63 -0.09 0.00 -1.68 0.00 0.00 37.83 35.12 1lom s LYS 48 CO 0.27 0.09 1.09 -1.58 -0.76 0.00 0.00 175.35 174.47 1lom s TRP 49 N -2.78 3.61 0.42 3.18 0.52 -1.26 -0.85 118.94 121.78 1lom s TRP 49 Ca 0.11 1.67 -0.25 0.00 0.02 0.00 0.00 56.10 57.65 1lom s TRP 49 Cb -0.01 -3.27 -0.10 0.00 -1.15 0.00 0.00 33.47 28.94 1lom s TRP 49 CO 0.01 -0.53 1.12 0.94 0.02 0.00 0.00 176.95 178.51 1lom n GLN 50 N 1.66 1.57 -1.69 4.98 -0.06 0.56 -4.75 117.38 119.65 1lom n GLN 50 Ca 0.00 0.56 -0.35 0.00 -2.00 0.00 0.00 57.00 55.21 1lom n GLN 50 Cb 0.45 -2.18 0.07 0.00 -4.06 0.00 0.00 30.24 24.52 1lom n GLN 50 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1lom s SER 51 N -0.67 4.64 0.89 1.69 0.15 -1.26 -4.98 113.70 114.16 1lom s SER 51 Ca 0.63 2.38 -0.11 0.00 0.70 0.00 0.00 55.95 59.55 1lom s SER 51 Cb -0.54 -2.59 0.13 0.00 -1.71 0.00 0.00 66.02 61.31 1lom s SER 51 CO 0.57 -1.97 1.11 -2.16 1.20 0.00 0.00 173.24 172.00 1lom s PRO 52 N -3.66 1.25 0.34 5.44 0.04 -1.26 -4.92 135.00 132.22 1lom s PRO 52 Ca 0.76 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1lom s PRO 52 Cb -0.30 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 1lom s PRO 52 CO 0.40 -2.39 1.23 0.09 0.04 0.00 0.00 177.00 176.37 1lom n ASN 53 N -4.04 2.43 0.27 6.66 5.03 -1.26 -4.86 115.26 119.49 1lom n ASN 53 Ca 0.10 1.19 0.15 0.00 0.87 0.00 0.00 54.58 56.89 1lom n ASN 53 Cb 0.53 -1.44 0.71 0.00 -1.02 0.00 0.00 39.78 38.55 1lom n ASN 53 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 1lom h PHE 54 N 2.39 0.00 0.00 3.10 -5.15 -1.99 -2.71 116.94 112.58 1lom h PHE 54 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1lom h PHE 54 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1lom h PHE 54 CO 0.50 0.10 0.00 1.51 -2.00 0.00 0.00 178.31 178.41 1lom n ILE 55 N -3.34 1.12 0.11 0.88 0.13 -1.26 -1.43 119.36 115.57 1lom n ILE 55 Ca -0.01 0.30 -0.02 0.00 -1.10 0.00 0.00 62.75 61.92 1lom n ILE 55 Cb 0.29 -1.13 0.02 0.00 -0.84 0.00 0.00 39.64 37.98 1lom n ILE 55 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1lom h GLU 56 N 0.00 0.00 0.00 9.51 5.08 -1.84 -3.34 114.58 123.99 1lom h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lom h GLU 56 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1lom h GLU 56 CO 0.00 0.74 -0.05 0.25 -1.00 0.00 0.00 179.01 178.95 1lom n THR 57 N -3.42 1.04 -4.15 1.13 -2.24 -0.90 -5.05 114.28 100.70 1lom n THR 57 Ca 0.00 -1.16 -0.16 0.00 -2.27 0.00 0.00 64.05 60.46 1lom n THR 57 Cb 0.78 0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 69.24 1lom n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lom s ARG 59 N -1.92 1.30 -1.22 0.00 1.70 0.26 -4.69 118.95 114.38 1lom s ARG 59 Ca -0.02 -1.70 -0.09 0.00 -0.47 0.00 0.00 55.73 53.45 1lom s ARG 59 Cb -0.09 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.34 1lom s ARG 59 CO 0.01 -0.36 0.73 -1.71 -1.08 0.00 0.00 175.30 172.89 1lom n ASN 60 N -0.39 -3.42 -4.74 -2.89 5.15 -1.26 -1.45 115.26 106.25 1lom n ASN 60 Ca 0.01 -0.91 -0.41 0.00 -0.60 0.00 0.00 54.58 52.68 1lom n ASN 60 Cb 0.66 -3.81 -0.04 0.00 -0.53 0.00 0.00 39.78 36.06 1lom n ASN 60 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1lom s THR 61 N -3.59 3.87 0.07 -0.44 -4.23 -1.26 -4.34 115.64 105.72 1lom s THR 61 Ca 0.25 1.64 -0.09 0.00 -1.18 0.00 0.00 61.69 62.31 1lom s THR 61 Cb -0.08 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1lom s THR 61 CO 0.83 0.30 0.20 -1.10 -0.54 0.00 0.00 174.62 174.31 1lom s GLN 62 N -0.49 0.79 -0.31 3.99 -0.21 -0.36 -4.99 119.66 118.08 1lom s GLN 62 Ca 0.48 -0.82 -0.17 0.00 0.02 0.00 0.00 55.36 54.87 1lom s GLN 62 Cb -0.29 0.32 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 1lom s GLN 62 CO 0.35 -0.24 0.46 -1.17 -2.12 0.00 0.00 175.29 172.56 1lom s LEU 63 N -2.55 4.24 -0.28 2.90 2.96 -1.26 -0.80 118.68 123.88 1lom s LEU 63 Ca 0.01 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.89 1lom s LEU 63 Cb 0.02 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1lom s LEU 63 CO -0.08 -0.35 0.33 0.00 -1.32 0.00 0.00 176.35 174.92 1lom s ALA 64 N 2.24 3.54 0.00 5.97 0.00 0.10 -4.94 121.76 128.68 1lom s ALA 64 Ca 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1lom s ALA 64 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1lom s ALA 64 CO 0.12 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1lom n GLY 65 N 4.82 0.95 0.12 0.00 0.00 -1.26 -2.09 105.19 107.74 1lom n GLY 65 Ca -0.10 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.25 1lom n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lom h SER 66 N 8.92 0.00 0.00 1.61 4.64 -2.04 -3.42 113.55 123.25 1lom h SER 66 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lom h SER 66 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lom h SER 66 CO 0.00 0.41 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.80 1lom n SER 67 N -2.99 0.00 -4.85 4.97 3.41 -1.25 -5.06 113.62 107.85 1lom n SER 67 Ca -0.03 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.16 1lom n SER 67 Cb 0.73 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1lom n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1lom s GLU 68 N 0.00 3.35 -0.24 4.33 2.02 -0.89 -0.30 118.70 126.97 1lom s GLU 68 Ca 0.00 -0.23 -0.09 0.00 0.02 0.00 0.00 54.97 54.67 1lom s GLU 68 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1lom s GLU 68 CO 0.00 0.74 0.13 -1.17 0.02 0.00 0.00 175.26 174.98 1lom s LEU 69 N -1.23 3.86 0.12 1.80 2.96 0.26 0.03 118.68 126.47 1lom s LEU 69 Ca 0.18 -0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1lom s LEU 69 Cb -0.12 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1lom s LEU 69 CO 0.07 0.03 -0.20 0.00 -1.32 0.00 0.00 176.35 174.93 1lom s ALA 70 N 1.25 2.60 0.18 5.97 0.00 0.02 -1.21 121.76 130.57 1lom s ALA 70 Ca 0.06 -1.37 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 1lom s ALA 70 Cb -0.14 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.45 1lom s ALA 70 CO 0.05 0.58 0.98 0.00 0.00 0.00 0.00 175.76 177.37 1lom s ALA 71 N -1.11 -1.58 -0.24 0.00 0.00 -0.68 -1.22 121.76 116.93 1lom s ALA 71 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1lom s ALA 71 Cb -0.10 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1lom s ALA 71 CO 0.09 -1.05 -0.05 -1.21 0.00 0.00 0.00 175.76 173.54 1lom s GLU 72 N -2.88 3.11 0.07 0.00 2.02 -0.53 -1.56 118.70 118.94 1lom s GLU 72 Ca 0.15 -0.80 0.10 0.00 0.02 0.00 0.00 54.97 54.44 1lom s GLU 72 Cb -0.02 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1lom s GLU 72 CO 0.04 -0.30 -0.26 0.00 0.02 0.00 0.00 175.26 174.75 1lom s LYS 74 N -1.52 4.49 0.62 0.00 2.20 -0.35 -1.48 119.74 123.70 1lom s LYS 74 Ca 0.13 1.87 -0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1lom s LYS 74 Cb -0.10 -3.24 0.06 0.00 -1.51 0.00 0.00 37.83 33.04 1lom s LYS 74 CO 0.04 -0.09 0.87 0.95 -0.36 0.00 0.00 175.35 176.76 1lom s THR 75 N -0.04 2.46 0.55 3.43 -4.23 -0.34 -4.91 115.64 112.55 1lom s THR 75 Ca 0.53 -0.59 0.29 0.00 -1.18 0.00 0.00 61.69 60.74 1lom s THR 75 Cb -0.33 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 70.98 1lom s THR 75 CO 0.36 0.00 2.21 0.03 -0.54 0.00 0.00 174.62 176.69 1lom h ARG 76 N -0.20 0.00 0.00 3.99 3.08 -1.97 0.12 114.38 119.41 1lom h ARG 76 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1lom h ARG 76 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1lom h ARG 76 CO 0.50 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 1lom n ALA 77 N -2.31 2.64 -1.28 0.04 0.00 -1.26 -4.89 120.51 113.44 1lom n ALA 77 Ca -0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1lom n ALA 77 Cb 0.12 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1lom n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1lom n GLN 78 N -0.90 -0.56 -4.51 0.00 1.13 0.43 -5.04 117.38 107.94 1lom n GLN 78 Ca 0.19 0.76 -0.34 0.00 -1.94 0.00 0.00 57.00 55.67 1lom n GLN 78 Cb 0.09 -4.60 -0.11 0.00 0.11 0.00 0.00 30.24 25.72 1lom n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1lom s GLN 79 N -2.77 3.04 -0.01 -1.09 -0.21 -1.26 -4.79 119.66 112.58 1lom s GLN 79 Ca 0.00 -0.51 -0.28 0.00 0.02 0.00 0.00 55.36 54.59 1lom s GLN 79 Cb 0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 1lom s GLN 79 CO 0.00 0.57 0.90 -0.06 -2.12 0.00 0.00 175.29 174.57 1lom s PHE 80 N -0.53 3.65 0.17 0.91 0.08 -1.26 -1.20 117.98 119.80 1lom s PHE 80 Ca 0.08 1.58 0.05 0.00 0.12 0.00 0.00 56.93 58.77 1lom s PHE 80 Cb -0.12 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 39.27 1lom s PHE 80 CO 0.02 0.05 -0.11 0.14 -0.10 0.00 0.00 175.22 175.22 1lom s VAL 81 N 0.82 1.34 0.27 -0.44 -7.23 -0.55 -4.91 120.40 109.70 1lom s VAL 81 Ca 0.47 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 1lom s VAL 81 Cb -0.20 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1lom s VAL 81 CO 0.25 -0.67 0.89 -0.44 -0.31 0.00 0.00 175.10 174.82 1lom s SER 82 N -3.22 7.39 0.09 4.85 0.01 -1.26 -1.26 113.70 120.29 1lom s SER 82 Ca 0.19 1.78 -0.17 0.00 1.31 0.00 0.00 55.95 59.07 1lom s SER 82 Cb 0.02 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1lom s SER 82 CO 0.03 0.05 0.40 0.28 0.41 0.00 0.00 173.24 174.41 1lom s THR 83 N -1.42 0.06 0.13 1.44 -1.32 -0.60 -4.92 115.64 109.01 1lom s THR 83 Ca 0.45 -0.54 -0.13 0.00 -1.21 0.00 0.00 61.69 60.26 1lom s THR 83 Cb -0.21 -1.07 0.02 0.00 -1.51 0.00 0.00 72.50 69.73 1lom s THR 83 CO 0.26 -0.30 0.34 -1.59 -2.21 0.00 0.00 174.62 171.13 1lom s LYS 84 N -3.19 1.06 -0.13 7.08 -2.85 -1.26 -1.69 119.74 118.76 1lom s LYS 84 Ca -0.01 -0.87 -0.11 0.00 -1.00 0.00 0.00 55.97 53.98 1lom s LYS 84 Cb 0.01 0.43 0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1lom s LYS 84 CO -0.08 -0.40 0.35 -1.50 0.10 0.00 0.00 175.35 173.82 1lom s ILE 85 N -3.85 -0.01 -0.47 3.79 2.07 -0.35 -4.97 121.20 117.40 1lom s ILE 85 Ca 0.06 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.06 1lom s ILE 85 Cb 0.03 -0.50 0.03 0.00 0.13 0.00 0.00 42.46 42.15 1lom s ILE 85 CO -0.09 0.01 1.02 0.21 -1.91 0.00 0.00 174.94 174.18 1lom s ASN 86 N 0.43 6.54 0.37 4.50 3.04 -1.26 -0.57 114.94 127.99 1lom s ASN 86 Ca -0.02 0.23 0.27 0.00 0.04 0.00 0.00 52.86 53.38 1lom s ASN 86 Cb -0.04 -2.49 1.28 0.00 -1.54 0.00 0.00 41.25 38.46 1lom s ASN 86 CO -0.02 -1.15 1.81 -0.07 -3.04 0.00 0.00 177.10 174.63 1lom h LEU 87 N 10.88 0.00 0.00 3.21 3.38 -1.01 -1.39 115.31 130.37 1lom h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1lom h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1lom h LEU 87 CO 1.07 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.07 1lom n ASP 88 N -2.46 0.00 -0.13 -0.43 8.00 -1.25 -0.89 116.55 119.39 1lom n ASP 88 Ca -0.00 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1lom n ASP 88 Cb 0.14 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1lom n ASP 88 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1lom h ASP 89 N 0.00 0.64 0.00 -2.24 3.32 -1.62 -3.40 116.42 113.13 1lom h ASP 89 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1lom h ASP 89 Cb 0.20 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1lom h ASP 89 CO 0.00 0.77 0.00 1.41 -1.72 0.00 0.00 179.24 179.70 1lom n HIS 90 N -4.50 0.00 -3.58 4.55 8.25 -1.04 -5.03 115.22 113.88 1lom n HIS 90 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1lom n HIS 90 Cb 0.26 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 1lom n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1lom s ILE 91 N -0.18 5.30 0.28 1.59 -1.09 -0.06 -1.70 121.20 125.33 1lom s ILE 91 Ca 0.00 0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.73 1lom s ILE 91 Cb 0.00 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1lom s ILE 91 CO 0.00 0.26 0.03 0.00 -1.23 0.00 0.00 174.94 173.99 1lom s ALA 92 N 1.68 3.24 -0.42 9.38 0.00 0.38 -4.68 121.76 131.34 1lom s ALA 92 Ca 0.08 -1.67 -0.09 0.00 0.00 0.00 0.00 51.96 50.28 1lom s ALA 92 Cb -0.16 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.25 1lom s ALA 92 CO 0.10 0.23 0.25 1.21 0.00 0.00 0.00 175.76 177.55 1lom s ASN 93 N -3.71 5.62 -0.48 0.00 2.47 -1.26 -1.27 114.94 116.32 1lom s ASN 93 Ca 0.32 -1.50 -0.12 0.00 0.42 0.00 0.00 52.86 51.99 1lom s ASN 93 Cb -0.06 -1.98 0.10 0.00 -1.45 0.00 0.00 41.25 37.86 1lom s ASN 93 CO 0.21 -0.53 0.37 -0.63 -3.72 0.00 0.00 177.10 172.80 1lom s ILE 94 N 1.42 4.70 -1.50 -5.21 -1.09 0.06 -4.63 121.20 114.95 1lom s ILE 94 Ca 0.03 -1.45 -0.01 0.00 -2.23 0.00 0.00 60.65 56.99 1lom s ILE 94 Cb -0.23 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1lom s ILE 94 CO 0.02 -0.68 0.20 -0.67 -1.23 0.00 0.00 174.94 172.58 1lom n ASP 95 N 5.06 0.29 0.00 3.58 2.03 -1.26 -1.76 116.55 124.49 1lom n ASP 95 Ca -0.11 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 54.04 1lom n ASP 95 Cb 0.42 -2.23 0.00 0.00 -0.72 0.00 0.00 41.12 38.59 1lom n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lom n GLY 96 N -2.28 0.86 3.17 0.27 0.00 -1.26 -5.06 105.19 100.89 1lom n GLY 96 Ca -0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 1lom n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lom s THR 97 N -2.63 1.46 -0.05 2.61 2.01 -0.72 -5.11 115.64 113.21 1lom s THR 97 Ca 0.00 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1lom s THR 97 Cb 0.00 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1lom s THR 97 CO 0.00 0.42 1.21 -0.76 -0.69 0.00 0.00 174.62 174.80 1lom s LEU 98 N -0.24 4.28 0.01 4.42 1.43 -1.26 -0.76 118.68 126.55 1lom s LEU 98 Ca 0.03 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1lom s LEU 98 Cb -0.09 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1lom s LEU 98 CO 0.01 -0.59 -0.07 -0.54 0.23 0.00 0.00 176.35 175.38 1lom s LYS 99 N 2.24 0.51 0.23 1.70 -0.14 -0.40 -4.95 119.74 118.93 1lom s LYS 99 Ca 0.56 -0.38 -0.16 0.00 -1.36 0.00 0.00 55.97 54.63 1lom s LYS 99 Cb -0.25 -0.44 -0.08 0.00 -1.68 0.00 0.00 37.83 35.38 1lom s LYS 99 CO 0.22 0.11 0.67 -0.47 -0.76 0.00 0.00 175.35 175.13 1lom s TYR 100 N -0.50 3.55 0.00 3.18 5.04 -1.26 -0.47 117.35 126.89 1lom s TYR 100 Ca -0.01 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 1lom s TYR 100 Cb -0.05 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.75 1lom s TYR 100 CO 0.00 0.29 0.00 -0.85 -1.34 0.00 0.00 175.55 173.65