#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sre h GLY 16 N 0.00 -0.61 0.85 0.00 0.00 -2.03 -3.24 103.07 98.05 1sre h GLY 16 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 1sre h GLY 16 CO 0.00 -0.22 -0.37 -2.22 0.00 0.00 0.00 176.54 173.73 1sre h ILE 17 N -0.59 1.35 -1.90 2.60 2.04 -1.97 -3.44 117.51 115.60 1sre h ILE 17 Ca -0.06 -1.63 -0.65 0.00 1.00 0.00 0.00 64.86 63.52 1sre h ILE 17 Cb 0.45 2.01 0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1sre h ILE 17 CO 0.10 0.49 0.67 0.41 0.00 0.00 0.00 178.15 179.82 1sre n THR 18 N -4.32 0.08 -2.61 -0.27 -1.04 -1.22 -4.80 114.28 100.10 1sre n THR 18 Ca -0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1sre n THR 18 Cb 0.52 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 1sre n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sre n GLY 19 N 3.16 -0.47 3.43 3.41 0.00 -0.25 -4.80 105.19 109.68 1sre n GLY 19 Ca 0.19 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1sre n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sre s THR 20 N -2.71 3.67 0.22 2.61 2.01 -1.26 -1.04 115.64 119.15 1sre s THR 20 Ca 0.00 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.66 1sre s THR 20 Cb 0.00 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 1sre s THR 20 CO 0.00 0.47 -0.13 0.26 -0.69 0.00 0.00 174.62 174.52 1sre s TRP 21 N 0.75 1.79 -0.00 4.92 0.52 0.15 -4.65 118.94 122.42 1sre s TRP 21 Ca -0.02 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.54 1sre s TRP 21 Cb -0.15 -0.86 -0.00 0.00 -1.15 0.00 0.00 33.47 31.31 1sre s TRP 21 CO 0.02 0.37 -0.04 0.71 0.02 0.00 0.00 176.95 178.03 1sre s TYR 22 N -2.95 0.40 0.16 -1.98 1.51 0.07 -0.26 117.35 114.31 1sre s TYR 22 Ca 0.24 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1sre s TYR 22 Cb -0.00 -0.26 0.03 0.00 -0.11 0.00 0.00 41.96 41.62 1sre s TYR 22 CO 0.08 -0.01 0.22 0.27 -1.11 0.00 0.00 175.55 175.01 1sre n ASN 23 N 2.97 0.37 0.21 2.29 0.23 -0.94 -1.59 115.26 118.80 1sre n ASN 23 Ca -0.13 -1.29 0.07 0.00 -0.53 0.00 0.00 54.58 52.70 1sre n ASN 23 Cb 0.58 -0.14 0.45 0.00 -2.08 0.00 0.00 39.78 38.60 1sre n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1sre h GLN 24 N 0.00 0.00 0.00 -3.83 -0.00 -1.91 -2.68 115.11 106.69 1sre h GLN 24 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1sre h GLN 24 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1sre h GLN 24 CO 0.09 0.29 -0.17 1.28 -0.00 0.00 0.00 178.83 180.32 1sre n LEU 25 N -3.65 0.59 0.00 0.06 4.77 -1.26 -4.92 117.00 112.59 1sre n LEU 25 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1sre n LEU 25 Cb 0.41 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1sre n LEU 25 CO 0.35 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1sre n GLY 26 N 1.37 0.89 3.78 -0.72 0.00 -1.01 -4.77 105.19 104.73 1sre n GLY 26 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1sre n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sre s SER 27 N -2.01 5.89 -0.14 1.61 0.01 -1.26 -4.72 113.70 113.08 1sre s SER 27 Ca 0.00 2.18 -0.02 0.00 1.31 0.00 0.00 55.95 59.42 1sre s SER 27 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1sre s SER 27 CO 0.00 -1.10 -0.08 -0.89 0.41 0.00 0.00 173.24 171.58 1sre s THR 28 N -1.74 3.55 -0.26 1.44 2.01 0.08 -2.21 115.64 118.51 1sre s THR 28 Ca 0.70 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1sre s THR 28 Cb -0.24 -2.52 0.06 0.00 0.01 0.00 0.00 72.50 69.81 1sre s THR 28 CO 0.28 0.52 -0.09 0.12 -0.69 0.00 0.00 174.62 174.75 1sre s PHE 29 N 0.23 3.19 -0.30 4.92 5.36 0.64 -1.00 117.98 131.02 1sre s PHE 29 Ca -0.05 -2.30 -0.06 0.00 -0.96 0.00 0.00 56.93 53.56 1sre s PHE 29 Cb -0.14 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 1sre s PHE 29 CO 0.04 -0.87 0.07 0.42 -1.46 0.00 0.00 175.22 173.42 1sre s ILE 30 N 1.12 3.78 0.09 3.12 1.01 -0.44 0.29 121.20 130.18 1sre s ILE 30 Ca -0.08 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1sre s ILE 30 Cb -0.20 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1sre s ILE 30 CO -0.05 0.01 -0.10 0.54 0.00 0.00 0.00 174.94 175.34 1sre s VAL 31 N 1.45 0.90 -0.11 2.92 0.11 -0.21 -1.37 120.40 124.09 1sre s VAL 31 Ca 0.01 -1.61 0.02 0.00 -2.93 0.00 0.00 61.98 57.47 1sre s VAL 31 Cb -0.18 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 1sre s VAL 31 CO 0.02 -0.56 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.19 1sre s THR 32 N -2.42 1.49 -0.30 5.04 2.01 -0.12 -1.09 115.64 120.26 1sre s THR 32 Ca 0.05 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1sre s THR 32 Cb -0.03 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1sre s THR 32 CO -0.00 0.44 0.15 0.00 -0.69 0.00 0.00 174.62 174.51 1sre s ALA 33 N 0.98 3.30 0.51 7.40 0.00 -1.26 -2.10 121.76 130.60 1sre s ALA 33 Ca -0.07 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 1sre s ALA 33 Cb -0.15 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 1sre s ALA 33 CO -0.01 -0.78 0.99 0.20 0.00 0.00 0.00 175.76 176.16 1sre s GLY 34 N 1.64 2.13 0.52 0.00 0.00 0.39 -4.67 107.32 107.34 1sre s GLY 34 Ca 0.05 0.25 0.18 0.00 0.00 0.00 0.00 44.72 45.21 1sre s GLY 34 CO 0.07 0.54 2.12 0.00 0.00 0.00 0.00 173.10 175.82 1sre h ALA 35 N 1.00 2.11 -0.00 3.20 0.00 -1.98 -2.39 119.26 121.19 1sre h ALA 35 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sre h ALA 35 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sre h ALA 35 CO 0.61 -0.15 -0.06 -0.40 0.00 0.00 0.00 179.25 179.24 1sre n ASP 36 N -4.49 0.11 0.00 0.00 5.75 -1.26 -4.87 116.55 111.79 1sre n ASP 36 Ca -0.00 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1sre n ASP 36 Cb 0.21 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1sre n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sre n GLY 37 N 1.40 0.80 3.84 6.12 0.00 -0.90 -4.92 105.19 111.53 1sre n GLY 37 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1sre n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sre s ALA 38 N -2.00 3.39 -0.09 4.61 0.00 -1.25 -1.40 121.76 125.01 1sre s ALA 38 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1sre s ALA 38 Cb 0.00 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1sre s ALA 38 CO 0.00 0.35 -0.21 -0.51 0.00 0.00 0.00 175.76 175.39 1sre s LEU 39 N -2.56 2.26 -0.04 0.00 1.43 -0.75 -0.46 118.68 118.56 1sre s LEU 39 Ca 0.49 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1sre s LEU 39 Cb -0.13 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1sre s LEU 39 CO 0.19 0.19 0.24 0.42 0.23 0.00 0.00 176.35 177.62 1sre s THR 40 N 0.15 0.04 -2.52 5.49 -4.23 -0.89 -1.68 115.64 112.01 1sre s THR 40 Ca -0.12 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1sre s THR 40 Cb -0.16 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1sre s THR 40 CO 0.06 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1sre n GLY 41 N 2.00 -0.56 3.13 3.99 0.00 -1.13 -0.94 105.19 111.68 1sre n GLY 41 Ca -0.18 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 1sre n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sre s THR 42 N -3.29 0.82 -0.03 2.61 -4.23 -0.47 -1.44 115.64 109.61 1sre s THR 42 Ca 0.00 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1sre s THR 42 Cb 0.00 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1sre s THR 42 CO 0.00 -0.42 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.09 1sre s TYR 43 N -1.81 1.03 -0.16 3.99 5.04 0.76 -1.33 117.35 124.87 1sre s TYR 43 Ca -0.02 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1sre s TYR 43 Cb -0.07 -0.72 0.03 0.00 0.35 0.00 0.00 41.96 41.54 1sre s TYR 43 CO 0.00 -0.10 -0.13 -1.21 -1.34 0.00 0.00 175.55 172.77 1sre s GLU 44 N 0.17 2.19 0.04 4.97 2.02 -0.17 -0.15 118.70 127.77 1sre s GLU 44 Ca -0.03 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.18 1sre s GLU 44 Cb -0.09 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 31.93 1sre s GLU 44 CO 0.01 -0.29 0.49 0.45 0.02 0.00 0.00 175.26 175.94 1sre s SER 45 N 1.48 6.92 0.16 -0.19 0.15 -1.26 -0.74 113.70 120.22 1sre s SER 45 Ca 0.03 1.10 0.21 0.00 0.70 0.00 0.00 55.95 58.00 1sre s SER 45 Cb -0.14 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1sre s SER 45 CO -0.10 0.29 0.96 0.00 1.20 0.00 0.00 173.24 175.59 1sre n ALA 46 N 1.71 2.42 -2.34 5.45 0.00 -1.26 -4.86 120.51 121.63 1sre n ALA 46 Ca -0.12 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 1sre n ALA 46 Cb 0.52 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1sre n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sre s VAL 47 N -3.29 0.94 0.00 0.00 -7.23 -1.26 -5.05 120.40 104.51 1sre s VAL 47 Ca -0.01 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1sre s VAL 47 Cb 0.10 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1sre s VAL 47 CO 0.80 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 1sre n GLY 48 N -0.47 -3.06 2.61 2.32 0.00 -1.26 -4.56 105.19 100.78 1sre n GLY 48 Ca -0.04 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1sre n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sre n ASN 49 N -0.44 5.43 -3.90 1.61 4.05 -1.26 -4.88 115.26 115.86 1sre n ASN 49 Ca 0.00 -2.72 -0.11 0.00 0.45 0.00 0.00 54.58 52.21 1sre n ASN 49 Cb 0.00 -1.56 -0.11 0.00 1.23 0.00 0.00 39.78 39.34 1sre n ASN 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sre s ALA 50 N 3.00 -0.18 -0.16 5.20 0.00 -1.26 -4.59 121.76 123.77 1sre s ALA 50 Ca 0.55 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 1sre s ALA 50 Cb 0.15 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.42 1sre s ALA 50 CO -0.06 -0.18 0.37 -1.83 0.00 0.00 0.00 175.76 174.06 1sre s GLU 51 N -1.25 0.34 1.26 0.00 -1.05 -1.26 -4.96 118.70 111.78 1sre s GLU 51 Ca -0.13 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1sre s GLU 51 Cb -0.08 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.59 1sre s GLU 51 CO 0.01 -0.17 0.00 0.45 0.95 0.00 0.00 175.26 176.50 1sre n SER 52 N 4.36 0.00 -4.89 0.83 2.88 -1.26 -4.81 113.62 110.74 1sre n SER 52 Ca -0.22 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.00 1sre n SER 52 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1sre n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1sre s ARG 53 N 0.00 3.69 0.07 -1.46 3.00 -1.26 -4.39 118.95 118.59 1sre s ARG 53 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 55.73 55.83 1sre s ARG 53 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 34.95 32.16 1sre s ARG 53 CO 0.00 0.40 -0.15 0.71 0.00 0.00 0.00 175.30 176.26 1sre s TYR 54 N -1.73 1.27 0.36 -0.53 1.51 0.78 -4.86 117.35 114.15 1sre s TYR 54 Ca 0.43 -0.43 -0.25 0.00 -1.01 0.00 0.00 57.07 55.82 1sre s TYR 54 Cb -0.12 -0.72 -0.09 0.00 -0.11 0.00 0.00 41.96 40.92 1sre s TYR 54 CO 0.24 0.06 1.02 0.08 -1.11 0.00 0.00 175.55 175.83 1sre s VAL 55 N -1.15 3.89 0.10 0.71 1.01 -1.26 -0.17 120.40 123.52 1sre s VAL 55 Ca -0.00 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.52 1sre s VAL 55 Cb -0.09 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1sre s VAL 55 CO 0.02 0.07 -0.10 -1.48 0.00 0.00 0.00 175.10 173.61 1sre s LEU 56 N -2.36 2.41 -0.03 3.92 0.05 -0.52 -4.40 118.68 117.75 1sre s LEU 56 Ca 0.54 -0.83 -0.08 0.00 0.05 0.00 0.00 54.13 53.81 1sre s LEU 56 Cb -0.21 -0.30 0.01 0.00 -2.05 0.00 0.00 46.19 43.64 1sre s LEU 56 CO 0.27 -0.27 0.19 0.28 -0.55 0.00 0.00 176.35 176.26 1sre s THR 57 N -2.52 0.05 0.00 5.48 -1.32 -0.95 -2.83 115.64 113.54 1sre s THR 57 Ca 0.06 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1sre s THR 57 Cb -0.02 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1sre s THR 57 CO -0.00 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 1sre n GLY 58 N 2.04 1.50 3.11 6.08 0.00 -0.67 -1.13 105.19 116.12 1sre n GLY 58 Ca -0.18 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1sre n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sre s ARG 59 N -1.93 0.65 0.15 1.61 1.81 -0.52 -1.80 118.95 118.91 1sre s ARG 59 Ca 0.00 -1.07 -0.12 0.00 -1.72 0.00 0.00 55.73 52.82 1sre s ARG 59 Cb 0.00 0.24 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 1sre s ARG 59 CO 0.00 -0.15 0.34 1.52 -0.68 0.00 0.00 175.30 176.34 1sre s TYR 60 N -3.63 0.14 -0.59 -0.53 1.13 -0.49 -1.48 117.35 111.91 1sre s TYR 60 Ca 0.04 -0.51 -0.28 0.00 -1.41 0.00 0.00 57.07 54.91 1sre s TYR 60 Cb 0.05 0.10 0.03 0.00 -1.10 0.00 0.00 41.96 41.04 1sre s TYR 60 CO -0.09 -0.74 1.22 0.34 -2.51 0.00 0.00 175.55 173.77 1sre s ASP 61 N -2.90 6.41 0.00 -0.18 2.15 -0.67 -4.57 116.67 116.91 1sre s ASP 61 Ca 0.11 0.10 0.24 0.00 0.43 0.00 0.00 52.55 53.43 1sre s ASP 61 Cb 0.02 -2.55 1.44 0.00 -0.30 0.00 0.00 42.92 41.52 1sre s ASP 61 CO -0.04 -1.52 1.85 -1.54 -0.17 0.00 0.00 175.17 173.75 1sre n SER 62 N 8.57 0.00 -3.04 -0.34 3.41 -1.26 -4.07 113.62 116.89 1sre n SER 62 Ca 0.09 -0.99 -0.18 0.00 -0.26 0.00 0.00 58.87 57.52 1sre n SER 62 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1sre n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sre n ALA 63 N -0.93 1.00 -0.93 7.33 0.00 -1.26 -5.01 120.51 120.70 1sre n ALA 63 Ca 0.18 -2.62 -0.29 0.00 0.00 0.00 0.00 53.44 50.71 1sre n ALA 63 Cb 0.08 -1.01 0.19 0.00 0.00 0.00 0.00 19.45 18.71 1sre n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sre s PRO 64 N -0.40 0.32 0.67 0.00 0.04 -1.26 -5.00 135.00 129.37 1sre s PRO 64 Ca 0.34 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1sre s PRO 64 Cb 0.18 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1sre s PRO 64 CO -0.16 -2.89 1.08 0.00 0.04 0.00 0.00 177.00 175.08 1sre s ALA 65 N -2.76 2.54 -0.38 8.56 0.00 -1.26 -4.98 121.76 123.48 1sre s ALA 65 Ca 0.66 0.39 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1sre s ALA 65 Cb -0.21 -3.27 0.69 0.00 0.00 0.00 0.00 23.12 20.34 1sre s ALA 65 CO 0.60 -1.22 1.83 0.25 0.00 0.00 0.00 175.76 177.21 1sre n THR 66 N -2.61 3.02 -0.65 0.00 -2.24 -1.26 -4.48 114.28 106.07 1sre n THR 66 Ca 0.09 -1.86 0.08 0.00 -2.27 0.00 0.00 64.05 60.09 1sre n THR 66 Cb 0.53 -0.40 0.27 0.00 -2.10 0.00 0.00 70.33 68.63 1sre n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sre n ASP 67 N -0.68 4.04 0.00 3.42 5.75 -1.26 -4.93 116.55 122.89 1sre n ASP 67 Ca 0.48 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1sre n ASP 67 Cb 1.48 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 41.09 1sre n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sre n GLY 68 N 0.37 0.63 3.84 6.12 0.00 -1.26 -5.06 105.19 109.83 1sre n GLY 68 Ca 0.21 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1sre n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sre s SER 69 N -2.15 5.70 1.01 1.61 0.01 -1.26 -5.07 113.70 113.54 1sre s SER 69 Ca 0.00 1.56 -0.16 0.00 1.31 0.00 0.00 55.95 58.65 1sre s SER 69 Cb 0.00 -2.49 0.21 0.00 0.21 0.00 0.00 66.02 63.95 1sre s SER 69 CO 0.00 -1.23 1.23 -0.83 0.41 0.00 0.00 173.24 172.83 1sre s GLY 70 N -3.89 1.69 -0.27 3.44 0.00 -1.26 -4.87 107.32 102.16 1sre s GLY 70 Ca 0.57 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.21 1sre s GLY 70 CO 0.54 -0.26 0.05 -1.59 0.00 0.00 0.00 173.10 171.84 1sre s THR 71 N -3.56 3.91 0.43 0.90 2.01 -0.03 -4.81 115.64 114.49 1sre s THR 71 Ca 0.71 -0.54 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1sre s THR 71 Cb -0.07 -2.93 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 1sre s THR 71 CO 0.54 0.21 1.21 0.00 -0.69 0.00 0.00 174.62 175.89 1sre s ALA 72 N 1.52 3.08 0.29 7.40 0.00 -1.26 -1.39 121.76 131.40 1sre s ALA 72 Ca 0.04 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 1sre s ALA 72 Cb -0.16 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.56 1sre s ALA 72 CO 0.01 -0.71 0.73 -0.48 0.00 0.00 0.00 175.76 175.32 1sre s LEU 73 N -2.75 -0.23 -0.12 0.00 0.05 -0.57 -1.66 118.68 113.40 1sre s LEU 73 Ca 0.60 -0.67 -0.31 0.00 0.05 0.00 0.00 54.13 53.80 1sre s LEU 73 Cb -0.32 2.74 0.13 0.00 -2.05 0.00 0.00 46.19 46.68 1sre s LEU 73 CO 0.40 -1.39 1.03 -0.83 -0.55 0.00 0.00 176.35 175.02 1sre s GLY 74 N -2.94 -0.31 0.13 -3.48 0.00 -0.55 -1.69 107.32 98.49 1sre s GLY 74 Ca 0.12 1.66 -0.20 0.00 0.00 0.00 0.00 44.72 46.29 1sre s GLY 74 CO 0.07 0.70 0.51 0.66 0.00 0.00 0.00 173.10 175.05 1sre s TRP 75 N -2.04 -0.39 0.10 1.90 -2.14 -0.67 -1.44 118.94 114.26 1sre s TRP 75 Ca 0.04 0.17 0.08 0.00 2.66 0.00 0.00 56.10 59.04 1sre s TRP 75 Cb -0.01 0.41 -0.03 0.00 -3.10 0.00 0.00 33.47 30.74 1sre s TRP 75 CO -0.04 -0.76 -0.19 0.99 -2.66 0.00 0.00 176.95 174.29 1sre s THR 76 N -3.61 1.59 -0.04 0.66 2.01 -0.29 -0.73 115.64 115.23 1sre s THR 76 Ca 0.01 -1.53 -0.00 0.00 0.31 0.00 0.00 61.69 60.48 1sre s THR 76 Cb 0.00 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1sre s THR 76 CO -0.11 -0.12 0.00 -0.69 -0.69 0.00 0.00 174.62 173.01 1sre s VAL 77 N -1.28 0.20 -0.24 3.82 1.01 -0.67 -2.25 120.40 120.98 1sre s VAL 77 Ca 0.05 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1sre s VAL 77 Cb -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1sre s VAL 77 CO 0.04 0.17 0.14 0.00 0.00 0.00 0.00 175.10 175.44 1sre s ALA 78 N 1.26 3.48 -0.95 5.51 0.00 -1.26 -0.45 121.76 129.34 1sre s ALA 78 Ca -0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 1sre s ALA 78 Cb -0.13 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 1sre s ALA 78 CO -0.02 -0.28 2.38 0.91 0.00 0.00 0.00 175.76 178.75 1sre n TRP 79 N 4.48 1.42 -3.88 0.00 7.02 -0.13 -4.80 117.44 121.55 1sre n TRP 79 Ca -0.15 -2.09 -0.17 0.00 -1.02 0.00 0.00 57.50 54.07 1sre n TRP 79 Cb 0.52 -1.80 -0.16 0.00 -2.42 0.00 0.00 31.31 27.45 1sre n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1sre s LYS 80 N 2.88 0.21 0.00 -0.99 2.20 -1.26 -1.57 119.74 121.20 1sre s LYS 80 Ca 0.47 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1sre s LYS 80 Cb 0.14 -0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 1sre s LYS 80 CO -0.04 -0.15 0.00 0.27 -0.36 0.00 0.00 175.35 175.08 1sre n ASN 81 N 4.18 0.00 0.21 1.43 0.23 -0.60 -4.80 115.26 115.92 1sre n ASN 81 Ca -0.26 -0.75 0.15 0.00 -0.53 0.00 0.00 54.58 53.18 1sre n ASN 81 Cb 0.50 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.87 1sre n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1sre h ASN 82 N 0.00 0.00 0.00 0.53 4.21 -1.94 -3.28 115.58 115.10 1sre h ASN 82 Ca 0.00 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.21 1sre h ASN 82 Cb 0.00 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.14 1sre h ASN 82 CO 0.00 0.00 -2.14 -1.22 -1.29 0.00 0.00 177.43 172.78 1sre n TYR 83 N -2.59 0.00 -3.67 1.19 4.01 -1.26 -5.08 117.16 109.76 1sre n TYR 83 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1sre n TYR 83 Cb 0.19 -0.81 -0.02 0.00 -0.31 0.00 0.00 39.34 38.38 1sre n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1sre s ARG 84 N -2.40 1.51 -0.17 -0.72 1.70 -1.24 -5.07 118.95 112.56 1sre s ARG 84 Ca -0.12 -0.77 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1sre s ARG 84 Cb 0.05 0.58 0.08 0.00 -0.57 0.00 0.00 34.95 35.10 1sre s ARG 84 CO 0.64 -0.67 0.23 1.21 -1.08 0.00 0.00 175.30 175.63 1sre s ASN 85 N -2.85 0.99 0.00 -2.89 3.84 -1.26 -1.55 114.94 111.22 1sre s ASN 85 Ca 0.07 0.06 0.26 0.00 0.21 0.00 0.00 52.86 53.47 1sre s ASN 85 Cb -0.03 0.49 0.72 0.00 -0.55 0.00 0.00 41.25 41.88 1sre s ASN 85 CO -0.03 -0.29 1.54 0.00 -2.79 0.00 0.00 177.10 175.53 1sre n ALA 86 N 5.33 3.10 -3.60 1.71 0.00 -0.61 -4.97 120.51 121.47 1sre n ALA 86 Ca -0.05 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 1sre n ALA 86 Cb 0.50 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.88 1sre n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sre n HIS 87 N -0.61 -2.02 -3.78 0.00 8.25 -1.26 -4.86 115.22 110.94 1sre n HIS 87 Ca 0.12 0.80 -0.08 0.00 -0.26 0.00 0.00 57.72 58.30 1sre n HIS 87 Cb 0.35 -4.29 -0.02 0.00 1.12 0.00 0.00 29.99 27.15 1sre n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sre s SER 88 N -4.09 -0.31 -0.04 0.41 1.04 -1.26 -1.22 113.70 108.23 1sre s SER 88 Ca 0.14 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 1sre s SER 88 Cb -0.03 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.81 1sre s SER 88 CO 0.80 -1.26 0.32 0.00 0.98 0.00 0.00 173.24 174.07 1sre s ALA 89 N -3.87 -0.80 0.09 5.32 0.00 -0.69 -0.96 121.76 120.85 1sre s ALA 89 Ca 0.09 0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1sre s ALA 89 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1sre s ALA 89 CO 0.03 -0.24 -0.24 0.99 0.00 0.00 0.00 175.76 176.30 1sre s THR 90 N -1.04 1.98 -0.05 0.00 2.01 0.40 -1.38 115.64 117.57 1sre s THR 90 Ca -0.11 -1.53 0.04 0.00 0.31 0.00 0.00 61.69 60.40 1sre s THR 90 Cb -0.05 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.72 1sre s THR 90 CO 0.04 0.13 -0.16 0.42 -0.69 0.00 0.00 174.62 174.36 1sre s THR 91 N -0.99 1.33 -0.08 -0.82 -4.23 -0.31 -1.66 115.64 108.88 1sre s THR 91 Ca 0.10 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1sre s THR 91 Cb -0.10 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1sre s THR 91 CO 0.04 0.39 -0.10 0.26 -0.54 0.00 0.00 174.62 174.67 1sre s TRP 92 N 0.17 2.85 -0.04 3.99 0.51 0.09 -1.70 118.94 124.82 1sre s TRP 92 Ca -0.06 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 53.77 1sre s TRP 92 Cb -0.12 -1.73 0.01 0.00 -0.81 0.00 0.00 33.47 30.82 1sre s TRP 92 CO 0.02 0.16 -0.08 0.45 -0.51 0.00 0.00 176.95 177.00 1sre s SER 93 N -0.49 1.23 0.00 2.95 0.15 0.03 -1.67 113.70 115.91 1sre s SER 93 Ca 0.07 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1sre s SER 93 Cb -0.12 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1sre s SER 93 CO 0.02 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1sre n GLY 94 N 3.60 1.09 3.11 9.45 0.00 -0.68 -1.53 105.19 120.24 1sre n GLY 94 Ca -0.21 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1sre n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sre s GLN 95 N 1.70 0.38 -0.08 1.61 -2.07 -0.76 -1.50 119.66 118.93 1sre s GLN 95 Ca 0.00 -0.03 -0.19 0.00 -1.82 0.00 0.00 55.36 53.33 1sre s GLN 95 Cb 0.00 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1sre s GLN 95 CO 0.00 -0.08 0.51 -0.47 -1.32 0.00 0.00 175.29 173.93 1sre s TYR 96 N -0.61 3.57 -0.25 9.60 5.04 -0.49 -1.67 117.35 132.55 1sre s TYR 96 Ca -0.07 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.55 1sre s TYR 96 Cb -0.04 -2.56 0.06 0.00 0.35 0.00 0.00 41.96 39.78 1sre s TYR 96 CO 0.01 0.24 -0.04 0.08 -1.34 0.00 0.00 175.55 174.50 1sre s VAL 97 N 0.33 1.61 0.69 3.14 1.01 0.40 -0.85 120.40 126.72 1sre s VAL 97 Ca 0.27 -1.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1sre s VAL 97 Cb -0.16 -1.89 0.17 0.00 0.00 0.00 0.00 36.38 34.49 1sre s VAL 97 CO 0.12 -0.16 0.64 0.61 0.00 0.00 0.00 175.10 176.31 1sre n GLY 98 N 4.63 -2.50 0.00 4.51 0.00 -1.26 -1.26 105.19 109.31 1sre n GLY 98 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1sre n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sre n GLY 99 N -1.47 0.64 0.21 -0.02 0.00 -1.26 -4.59 105.19 98.69 1sre n GLY 99 Ca 0.09 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 1sre n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sre h ALA 100 N 0.00 0.66 -3.05 4.61 0.00 -2.07 -3.25 119.26 116.16 1sre h ALA 100 Ca 0.00 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.31 1sre h ALA 100 Cb 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 17.30 1sre h ALA 100 CO 0.00 -0.08 -0.58 -0.85 0.00 0.00 0.00 179.25 177.74 1sre n GLU 101 N -4.88 1.80 -1.90 0.00 0.28 -1.26 -5.10 120.64 109.59 1sre n GLU 101 Ca 0.05 -4.46 -0.36 0.00 -0.16 0.00 0.00 57.16 52.23 1sre n GLU 101 Cb 0.13 -2.27 0.05 0.00 1.43 0.00 0.00 31.44 30.78 1sre n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sre s ALA 102 N -1.45 2.47 0.09 -1.84 0.00 -1.23 -4.98 121.76 114.81 1sre s ALA 102 Ca 0.25 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 1sre s ALA 102 Cb -0.04 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1sre s ALA 102 CO -0.17 -1.31 0.23 1.03 0.00 0.00 0.00 175.76 175.54 1sre s ARG 103 N -3.45 0.86 -0.22 0.00 0.52 -0.39 -4.36 118.95 111.91 1sre s ARG 103 Ca 0.77 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1sre s ARG 103 Cb -0.30 0.36 0.05 0.00 0.52 0.00 0.00 34.95 35.58 1sre s ARG 103 CO 0.36 -0.28 -0.07 0.42 0.02 0.00 0.00 175.30 175.75 1sre s ILE 104 N -3.68 1.54 -0.23 1.52 1.01 -0.84 -0.46 121.20 120.07 1sre s ILE 104 Ca 0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1sre s ILE 104 Cb 0.04 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1sre s ILE 104 CO -0.10 -0.02 0.19 0.20 0.00 0.00 0.00 174.94 175.21 1sre s ASN 105 N 1.40 6.16 0.19 3.58 0.01 -0.67 -1.26 114.94 124.36 1sre s ASN 105 Ca -0.04 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1sre s ASN 105 Cb -0.18 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 1sre s ASN 105 CO -0.07 0.05 0.06 0.42 -1.51 0.00 0.00 177.10 176.06 1sre s THR 106 N 1.07 0.39 0.02 1.60 -4.23 -0.16 -1.83 115.64 112.50 1sre s THR 106 Ca 0.09 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1sre s THR 106 Cb -0.14 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1sre s THR 106 CO 0.05 -0.25 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.11 1sre s GLN 107 N -4.02 1.31 0.10 3.99 0.74 -0.58 -1.54 119.66 119.65 1sre s GLN 107 Ca 0.31 -0.78 0.03 0.00 0.05 0.00 0.00 55.36 54.96 1sre s GLN 107 Cb 0.07 -1.34 -0.04 0.00 1.10 0.00 0.00 33.01 32.80 1sre s GLN 107 CO 0.08 0.35 -0.08 1.67 -0.55 0.00 0.00 175.29 176.76 1sre s TRP 108 N -0.66 0.95 -0.08 1.67 1.48 -0.26 -0.79 118.94 121.26 1sre s TRP 108 Ca 0.06 -0.79 0.02 0.00 -1.06 0.00 0.00 56.10 54.33 1sre s TRP 108 Cb -0.08 -0.53 0.02 0.00 -1.16 0.00 0.00 33.47 31.72 1sre s TRP 108 CO 0.01 -0.08 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.19 1sre s LEU 109 N -2.75 1.56 -0.23 -4.66 1.43 -0.69 -1.58 118.68 111.76 1sre s LEU 109 Ca 0.08 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1sre s LEU 109 Cb 0.01 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1sre s LEU 109 CO -0.02 0.00 -0.12 -0.22 0.23 0.00 0.00 176.35 176.21 1sre s LEU 110 N 0.91 2.90 -0.12 1.79 0.20 -0.40 -1.16 118.68 122.80 1sre s LEU 110 Ca -0.10 -0.95 -0.01 0.00 0.69 0.00 0.00 54.13 53.77 1sre s LEU 110 Cb -0.15 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1sre s LEU 110 CO 0.01 -0.10 -0.08 -0.89 -0.29 0.00 0.00 176.35 174.99 1sre s THR 111 N 1.25 3.50 0.10 3.68 2.01 -0.48 -1.02 115.64 124.68 1sre s THR 111 Ca -0.01 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1sre s THR 111 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1sre s THR 111 CO -0.07 0.53 0.14 -0.44 -0.69 0.00 0.00 174.62 174.08 1sre s SER 112 N 0.09 5.80 -0.03 3.53 0.01 0.02 -1.71 113.70 121.41 1sre s SER 112 Ca -0.03 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1sre s SER 112 Cb -0.14 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1sre s SER 112 CO 0.04 0.14 1.20 -0.83 0.41 0.00 0.00 173.24 174.20 1sre s GLY 113 N -2.61 2.19 0.28 3.44 0.00 -0.36 -4.86 107.32 105.41 1sre s GLY 113 Ca 0.31 0.67 0.02 0.00 0.00 0.00 0.00 44.72 45.73 1sre s GLY 113 CO 0.24 2.16 0.12 -0.51 0.00 0.00 0.00 173.10 175.11 1sre s THR 114 N 1.93 0.49 0.90 0.90 -4.23 -1.26 -5.01 115.64 109.36 1sre s THR 114 Ca 0.56 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1sre s THR 114 Cb -0.26 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.18 1sre s THR 114 CO 0.24 0.00 1.24 0.42 -0.54 0.00 0.00 174.62 175.98 1sre s THR 115 N -3.67 2.03 0.20 3.99 -4.23 -1.26 -4.87 115.64 107.83 1sre s THR 115 Ca 0.36 -0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 1sre s THR 115 Cb 0.07 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 71.12 1sre s THR 115 CO 0.15 0.00 1.70 -0.33 -0.54 0.00 0.00 174.62 175.60 1sre h GLU 116 N -1.35 1.13 -0.04 3.99 3.07 -2.01 -2.72 114.58 116.64 1sre h GLU 116 Ca -0.42 -0.30 0.01 0.00 -0.50 0.00 0.00 59.36 58.15 1sre h GLU 116 Cb 1.24 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1sre h GLU 116 CO 0.39 1.02 0.07 0.00 -1.40 0.00 0.00 179.01 179.09 1sre h ALA 117 N 1.07 1.39 -0.05 3.43 0.00 -2.07 -2.26 119.26 120.78 1sre h ALA 117 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sre h ALA 117 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sre h ALA 117 CO 0.01 -0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.26 1sre n ASN 118 N -3.50 1.84 0.15 0.00 3.02 -1.12 -4.69 115.26 110.96 1sre n ASN 118 Ca -0.02 -1.44 0.17 0.00 -0.03 0.00 0.00 54.58 53.26 1sre n ASN 118 Cb 0.15 -0.02 0.77 0.00 -0.61 0.00 0.00 39.78 40.07 1sre n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sre h ALA 119 N 1.65 2.04 0.00 5.41 0.00 -1.09 -1.44 119.26 125.83 1sre h ALA 119 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1sre h ALA 119 Cb 0.40 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sre h ALA 119 CO 0.00 -0.40 -0.19 0.11 0.00 0.00 0.00 179.25 178.77 1sre h TRP 120 N 0.00 0.00 -0.82 0.00 5.08 -1.84 -3.03 115.95 115.35 1sre h TRP 120 Ca 0.13 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.54 1sre h TRP 120 Cb 0.64 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 26.38 1sre h TRP 120 CO 0.00 0.19 -0.68 0.36 -1.28 0.00 0.00 178.44 177.03 1sre n LYS 121 N -3.79 3.54 0.11 0.12 2.85 -0.54 -4.75 118.16 115.69 1sre n LYS 121 Ca -0.02 -4.12 0.12 0.00 -1.05 0.00 0.00 58.31 53.24 1sre n LYS 121 Cb 0.30 -2.28 0.01 0.00 -0.65 0.00 0.00 35.03 32.41 1sre n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1sre h SER 122 N 2.19 0.00 -3.19 -5.58 4.64 -1.55 -3.47 113.55 106.59 1sre h SER 122 Ca 0.38 -0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 61.04 1sre h SER 122 Cb 1.45 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.19 1sre h SER 122 CO 0.83 0.00 -0.86 -0.89 -0.87 0.00 0.00 176.83 175.04 1sre s THR 123 N -3.35 1.98 0.07 2.95 2.01 -1.26 -0.80 115.64 117.23 1sre s THR 123 Ca -0.00 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1sre s THR 123 Cb 0.09 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1sre s THR 123 CO 0.78 0.53 0.22 -0.76 -0.69 0.00 0.00 174.62 174.71 1sre s LEU 124 N 0.92 4.35 0.03 4.42 1.43 -0.19 -4.93 118.68 124.72 1sre s LEU 124 Ca -0.05 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1sre s LEU 124 Cb -0.15 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1sre s LEU 124 CO -0.04 0.16 -0.17 0.54 0.23 0.00 0.00 176.35 177.07 1sre s VAL 125 N -1.53 1.35 0.00 -1.59 0.11 -1.26 -1.27 120.40 116.21 1sre s VAL 125 Ca 0.35 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1sre s VAL 125 Cb -0.13 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1sre s VAL 125 CO 0.28 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1sre n GLY 126 N 2.09 2.08 3.10 6.54 0.00 -0.61 -5.01 105.19 113.38 1sre n GLY 126 Ca -0.17 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1sre n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sre s HIS 127 N -8.51 -0.15 -0.01 1.61 -3.43 -1.26 -1.10 115.29 102.45 1sre s HIS 127 Ca 0.00 0.33 0.02 0.00 -0.80 0.00 0.00 55.06 54.62 1sre s HIS 127 Cb 0.00 0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 31.19 1sre s HIS 127 CO 0.00 -0.18 -0.08 -0.51 -2.00 0.00 0.00 174.74 171.97 1sre s ASP 128 N -0.43 0.95 -0.17 7.38 1.01 -0.59 -4.96 116.67 119.87 1sre s ASP 128 Ca -0.05 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1sre s ASP 128 Cb -0.03 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.79 1sre s ASP 128 CO 0.01 0.10 -0.16 -0.89 0.21 0.00 0.00 175.17 174.44 1sre s THR 129 N -0.17 2.51 -0.09 -1.27 2.01 -1.26 -0.98 115.64 116.39 1sre s THR 129 Ca 0.03 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1sre s THR 129 Cb -0.03 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1sre s THR 129 CO -0.00 0.52 0.03 -0.36 -0.69 0.00 0.00 174.62 174.11 1sre s PHE 130 N 1.00 3.24 0.15 4.92 0.40 -0.39 -3.52 117.98 123.79 1sre s PHE 130 Ca -0.02 0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 1sre s PHE 130 Cb -0.15 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 1sre s PHE 130 CO -0.04 0.52 0.08 0.95 0.70 0.00 0.00 175.22 177.43 1sre s THR 131 N -0.91 0.08 -2.14 0.64 -4.23 -0.62 -1.98 115.64 106.47 1sre s THR 131 Ca 0.14 -1.92 0.30 0.00 -1.18 0.00 0.00 61.69 59.03 1sre s THR 131 Cb -0.11 -2.15 0.79 0.00 1.34 0.00 0.00 72.50 72.36 1sre s THR 131 CO 0.03 -0.35 2.07 0.29 -0.54 0.00 0.00 174.62 176.12 1sre n LYS 132 N -0.14 1.19 0.00 3.99 5.02 -1.26 -0.75 118.16 126.21 1sre n LYS 132 Ca -0.04 -0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1sre n LYS 132 Cb 0.64 -1.48 0.22 0.00 -0.02 0.00 0.00 35.03 34.39 1sre n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16