#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 0.23 0.86 0.00 0.00 -2.03 -3.32 103.07 98.81 1sre h GLY 16 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1sre h GLY 16 CO 0.00 0.41 -0.31 -2.22 0.00 0.00 0.00 176.54 174.42 1sre h ILE 17 N 0.10 1.34 -2.28 2.60 2.04 -1.99 -3.45 117.51 115.88 1sre h ILE 17 Ca -0.06 -1.54 -0.59 0.00 1.00 0.00 0.00 64.86 63.67 1sre h ILE 17 Cb 1.65 1.90 0.06 0.00 -0.74 0.00 0.00 36.82 39.69 1sre h ILE 17 CO 0.15 0.47 0.75 0.41 0.00 0.00 0.00 178.15 179.93 1sre n THR 18 N -4.35 0.10 -2.10 -0.27 -1.04 -1.25 -4.83 114.28 100.54 1sre n THR 18 Ca -0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1sre n THR 18 Cb 0.48 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 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 3.22 0.01 3.48 3.41 0.00 -0.33 -4.79 105.19 110.18 1sre n GLY 19 Ca 0.16 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.79 3.45 0.13 2.61 2.01 -1.26 -1.12 115.64 118.66 1sre s THR 20 Ca 0.00 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1sre s THR 20 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1sre s THR 20 CO 0.00 0.55 -0.09 0.26 -0.69 0.00 0.00 174.62 174.64 1sre s TRP 21 N -0.12 1.16 0.05 4.92 0.52 0.24 -1.24 118.94 124.46 1sre s TRP 21 Ca 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 56.10 55.36 1sre s TRP 21 Cb -0.13 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.55 1sre s TRP 21 CO 0.03 0.02 -0.06 0.71 0.02 0.00 0.00 176.95 177.67 1sre s TYR 22 N -3.28 0.60 0.50 -1.98 2.02 -0.31 -1.44 117.35 113.47 1sre s TYR 22 Ca 0.14 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1sre s TYR 22 Cb 0.02 -0.37 -0.00 0.00 -0.40 0.00 0.00 41.96 41.21 1sre s TYR 22 CO -0.01 -0.15 0.21 0.54 -1.57 0.00 0.00 175.55 174.57 1sre s ASN 23 N -1.98 4.40 0.62 2.29 2.20 -1.04 -0.36 114.94 121.06 1sre s ASN 23 Ca -0.05 -1.36 0.34 0.00 -0.94 0.00 0.00 52.86 50.84 1sre s ASN 23 Cb -0.05 0.25 1.95 0.00 -2.00 0.00 0.00 41.25 41.40 1sre s ASN 23 CO -0.02 -0.88 2.25 0.06 -2.94 0.00 0.00 177.10 175.56 1sre h GLN 24 N 1.13 0.00 0.00 3.55 -0.00 -1.92 -1.66 115.11 116.21 1sre h GLN 24 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1sre h GLN 24 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1sre h GLN 24 CO 0.66 0.00 -0.29 -0.07 -0.00 0.00 0.00 178.83 179.14 1sre h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.95 -3.47 115.31 113.33 1sre h LEU 25 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sre h LEU 25 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sre h LEU 25 CO -0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1sre n GLY 26 N 1.29 0.86 3.81 0.83 0.00 -0.62 -4.77 105.19 106.58 1sre n GLY 26 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.29 5.13 -0.05 1.61 0.01 -1.26 -4.72 113.70 112.13 1sre s SER 27 Ca 0.00 1.65 0.06 0.00 1.31 0.00 0.00 55.95 58.97 1sre s SER 27 Cb 0.00 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1sre s SER 27 CO 0.00 -1.61 -0.23 -0.89 0.41 0.00 0.00 173.24 170.92 1sre s THR 28 N -3.02 1.86 -0.13 1.44 2.01 0.22 -2.50 115.64 115.53 1sre s THR 28 Ca 0.59 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 1sre s THR 28 Cb -0.15 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1sre s THR 28 CO 0.55 0.52 -0.09 0.12 -0.69 0.00 0.00 174.62 175.04 1sre s PHE 29 N -0.10 1.67 -0.18 4.92 5.36 -0.52 -0.23 117.98 128.91 1sre s PHE 29 Ca -0.04 -0.90 -0.03 0.00 -0.96 0.00 0.00 56.93 55.00 1sre s PHE 29 Cb -0.13 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1sre s PHE 29 CO 0.03 -0.56 -0.06 0.42 -1.46 0.00 0.00 175.22 173.59 1sre s ILE 30 N 1.65 3.53 0.02 3.12 1.01 -0.46 -0.59 121.20 129.47 1sre s ILE 30 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1sre s ILE 30 Cb -0.13 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1sre s ILE 30 CO -0.09 0.47 0.12 0.54 0.00 0.00 0.00 174.94 175.98 1sre s VAL 31 N 0.79 0.10 -0.09 2.92 0.11 -0.28 -1.66 120.40 122.30 1sre s VAL 31 Ca -0.02 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.19 1sre s VAL 31 Cb -0.15 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1sre s VAL 31 CO 0.02 -0.47 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.26 1sre s THR 32 N -1.92 1.49 -0.25 5.04 2.01 -0.04 -1.18 115.64 120.79 1sre s THR 32 Ca -0.11 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 1sre s THR 32 Cb -0.05 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1sre s THR 32 CO -0.01 0.44 0.22 0.00 -0.69 0.00 0.00 174.62 174.57 1sre s ALA 33 N 0.71 3.57 0.41 7.40 0.00 -1.26 -2.19 121.76 130.40 1sre s ALA 33 Ca -0.13 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 1sre s ALA 33 Cb -0.16 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1sre s ALA 33 CO 0.03 -0.38 0.76 0.20 0.00 0.00 0.00 175.76 176.38 1sre s GLY 34 N 1.36 1.88 0.53 0.00 0.00 0.08 -4.47 107.32 106.71 1sre s GLY 34 Ca 0.09 -0.26 0.25 0.00 0.00 0.00 0.00 44.72 44.81 1sre s GLY 34 CO 0.08 -0.07 2.14 0.00 0.00 0.00 0.00 173.10 175.24 1sre h ALA 35 N 1.12 1.51 -0.26 3.20 0.00 -1.98 -1.85 119.26 121.00 1sre h ALA 35 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sre h ALA 35 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sre h ALA 35 CO 0.64 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 1sre n ASP 36 N -3.92 1.46 0.00 0.00 5.75 -1.26 -4.91 116.55 113.67 1sre n ASP 36 Ca -0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1sre n ASP 36 Cb 0.17 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.88 0.63 3.87 6.12 0.00 -0.70 -5.01 105.19 110.98 1sre n GLY 37 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.01 3.35 -0.07 4.61 0.00 -1.26 -1.36 121.76 125.02 1sre s ALA 38 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1sre s ALA 38 Cb 0.00 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.41 1sre s ALA 38 CO 0.00 0.09 -0.17 -0.51 0.00 0.00 0.00 175.76 175.17 1sre s LEU 39 N -3.60 1.85 0.01 0.00 1.43 -0.20 -0.74 118.68 117.44 1sre s LEU 39 Ca 0.52 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1sre s LEU 39 Cb -0.10 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 1sre s LEU 39 CO 0.27 0.10 -0.01 0.42 0.23 0.00 0.00 176.35 177.37 1sre s THR 40 N 0.43 0.06 -1.99 5.49 -4.23 -0.93 -1.10 115.64 113.37 1sre s THR 40 Ca -0.14 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1sre s THR 40 Cb -0.16 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1sre s THR 40 CO 0.05 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1sre n GLY 41 N 2.23 -0.60 3.08 3.99 0.00 -1.12 -0.86 105.19 111.92 1sre n GLY 41 Ca -0.19 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.40 0.44 -0.03 2.61 -4.23 -0.66 -1.92 115.64 108.44 1sre s THR 42 Ca 0.00 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1sre s THR 42 Cb 0.00 -1.04 -0.00 0.00 1.34 0.00 0.00 72.50 72.80 1sre s THR 42 CO 0.00 -0.67 -0.13 -0.47 -0.54 0.00 0.00 174.62 172.81 1sre s TYR 43 N -2.57 1.27 -0.19 3.99 6.14 0.11 -1.36 117.35 124.74 1sre s TYR 43 Ca -0.01 -0.32 0.01 0.00 0.64 0.00 0.00 57.07 57.39 1sre s TYR 43 Cb -0.02 -0.86 0.04 0.00 0.42 0.00 0.00 41.96 41.54 1sre s TYR 43 CO -0.04 -0.10 -0.10 -1.21 0.64 0.00 0.00 175.55 174.75 1sre s GLU 44 N 0.02 1.94 -0.05 4.97 2.02 0.68 -0.98 118.70 127.31 1sre s GLU 44 Ca -0.01 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.07 1sre s GLU 44 Cb -0.09 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.75 1sre s GLU 44 CO 0.01 -0.43 0.32 0.45 0.02 0.00 0.00 175.26 175.63 1sre s SER 45 N 1.44 6.66 0.14 -0.19 0.15 -1.26 -0.61 113.70 120.03 1sre s SER 45 Ca -0.01 0.78 0.23 0.00 0.70 0.00 0.00 55.95 57.65 1sre s SER 45 Cb -0.16 -2.19 0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1sre s SER 45 CO -0.08 0.34 1.05 0.00 1.20 0.00 0.00 173.24 175.75 1sre n ALA 46 N 1.97 2.78 -2.60 5.45 0.00 -1.26 -4.82 120.51 122.02 1sre n ALA 46 Ca -0.16 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 1sre n ALA 46 Cb 0.53 -1.07 -0.11 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 -3.31 1.98 0.00 0.00 -7.23 -1.26 -5.05 120.40 105.53 1sre s VAL 47 Ca 0.01 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1sre s VAL 47 Cb 0.11 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1sre s VAL 47 CO 0.79 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 176.17 1sre n GLY 48 N -0.94 -1.18 2.91 2.32 0.00 -1.26 -4.21 105.19 102.84 1sre n GLY 48 Ca -0.05 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.01 4.56 -4.07 1.61 4.05 -1.26 -4.93 115.26 114.21 1sre n ASN 49 Ca 0.00 -2.97 -0.10 0.00 0.45 0.00 0.00 54.58 51.96 1sre n ASN 49 Cb 0.00 -1.59 -0.11 0.00 1.23 0.00 0.00 39.78 39.32 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 2.03 0.51 -0.22 5.20 0.00 -1.26 -4.56 121.76 123.46 1sre s ALA 50 Ca 0.44 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 1sre s ALA 50 Cb 0.10 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.43 1sre s ALA 50 CO -0.03 -0.19 0.60 -1.83 0.00 0.00 0.00 175.76 174.31 1sre s GLU 51 N -2.55 0.71 1.92 0.00 -1.05 -1.26 -4.98 118.70 111.49 1sre s GLU 51 Ca -0.03 0.80 0.00 0.00 -0.15 0.00 0.00 54.97 55.58 1sre s GLU 51 Cb -0.03 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1sre s GLU 51 CO -0.03 -0.09 0.00 0.45 0.95 0.00 0.00 175.26 176.53 1sre n SER 52 N 2.68 -3.43 -4.87 0.83 2.88 -1.26 -4.79 113.62 105.65 1sre n SER 52 Ca -0.14 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.10 1sre n SER 52 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 3.79 0.04 -1.46 0.52 -1.26 -4.56 118.95 116.02 1sre s ARG 53 Ca 0.00 0.45 0.05 0.00 -0.52 0.00 0.00 55.73 55.71 1sre s ARG 53 Cb 0.00 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 1sre s ARG 53 CO 0.00 0.01 -0.14 0.71 0.02 0.00 0.00 175.30 175.89 1sre s TYR 54 N -2.30 1.25 0.33 -0.53 1.51 -0.15 -4.83 117.35 112.64 1sre s TYR 54 Ca 0.51 -0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 55.94 1sre s TYR 54 Cb -0.10 -0.74 -0.09 0.00 -0.11 0.00 0.00 41.96 40.91 1sre s TYR 54 CO 0.29 0.04 1.11 0.08 -1.11 0.00 0.00 175.55 175.96 1sre s VAL 55 N -0.86 3.45 0.10 0.71 1.01 -1.26 0.08 120.40 123.63 1sre s VAL 55 Ca 0.02 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.38 1sre s VAL 55 Cb -0.08 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1sre s VAL 55 CO 0.01 0.21 -0.16 -1.48 0.00 0.00 0.00 175.10 173.69 1sre s LEU 56 N -1.95 2.33 -0.04 3.92 0.05 -0.81 -4.36 118.68 117.82 1sre s LEU 56 Ca 0.50 -0.71 -0.07 0.00 0.05 0.00 0.00 54.13 53.91 1sre s LEU 56 Cb -0.30 -0.64 0.01 0.00 -2.05 0.00 0.00 46.19 43.22 1sre s LEU 56 CO 0.38 -0.06 0.17 0.28 -0.55 0.00 0.00 176.35 176.56 1sre s THR 57 N -1.54 0.04 0.05 5.48 -1.32 -1.08 -2.80 115.64 114.46 1sre s THR 57 Ca 0.04 -0.29 -0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1sre s THR 57 Cb -0.08 -0.34 0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1sre s THR 57 CO 0.03 -0.16 0.21 0.61 -2.21 0.00 0.00 174.62 173.10 1sre n GLY 58 N 2.32 1.32 3.10 6.08 0.00 -0.26 -1.31 105.19 116.44 1sre n GLY 58 Ca -0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.01 0.63 0.11 1.61 1.81 -0.86 -1.03 118.95 119.21 1sre s ARG 59 Ca 0.05 -1.13 -0.10 0.00 -1.72 0.00 0.00 55.73 52.83 1sre s ARG 59 Cb -0.01 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 1sre s ARG 59 CO 0.02 -0.13 0.25 1.52 -0.68 0.00 0.00 175.30 176.27 1sre s TYR 60 N -3.72 0.16 -0.43 -0.53 1.13 -0.47 -1.88 117.35 111.61 1sre s TYR 60 Ca 0.05 -0.56 -0.29 0.00 -1.41 0.00 0.00 57.07 54.86 1sre s TYR 60 Cb 0.06 -0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.94 1sre s TYR 60 CO -0.09 -0.61 1.19 0.34 -2.51 0.00 0.00 175.55 173.87 1sre s ASP 61 N -2.88 6.62 0.00 -0.18 -1.08 -0.52 -4.67 116.67 113.96 1sre s ASP 61 Ca 0.08 0.67 0.31 0.00 -0.52 0.00 0.00 52.55 53.09 1sre s ASP 61 Cb 0.04 -2.55 1.77 0.00 -1.46 0.00 0.00 42.92 40.72 1sre s ASP 61 CO -0.08 -1.22 2.16 -1.54 0.52 0.00 0.00 175.17 175.00 1sre n SER 62 N 7.88 0.16 -3.10 -0.34 3.41 -1.26 -3.98 113.62 116.38 1sre n SER 62 Ca 0.13 -0.95 -0.19 0.00 -0.26 0.00 0.00 58.87 57.60 1sre n SER 62 Cb 0.48 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.92 1.58 -0.96 7.33 0.00 -1.26 -5.03 120.51 121.26 1sre n ALA 63 Ca 0.22 -2.99 -0.28 0.00 0.00 0.00 0.00 53.44 50.38 1sre n ALA 63 Cb 0.15 -0.93 0.21 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.09 -0.19 0.00 0.00 0.04 -1.26 -5.19 135.00 127.32 1sre s PRO 64 Ca 0.35 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1sre s PRO 64 Cb 0.22 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.10 1sre s PRO 64 CO -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 177.00 173.76 1sre n ALA 65 N -4.48 0.00 -1.01 8.56 0.00 -1.26 -5.16 120.51 117.16 1sre n ALA 65 Ca 0.04 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1sre n ALA 65 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1sre n ALA 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sre n SER 69 N -1.79 -5.87 -4.60 0.00 3.41 -1.26 -5.04 113.62 98.47 1sre n SER 69 Ca 0.00 0.81 -0.29 0.00 -0.26 0.00 0.00 58.87 59.13 1sre n SER 69 Cb 0.00 -3.32 0.13 0.00 -0.26 0.00 0.00 64.21 60.75 1sre n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sre s GLY 70 N -6.48 1.68 -0.30 5.00 0.00 -1.26 -5.00 107.32 100.96 1sre s GLY 70 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 43.73 1sre s GLY 70 CO 0.00 -0.31 0.13 -1.59 0.00 0.00 0.00 173.10 171.32 1sre s THR 71 N -3.67 4.44 0.38 0.90 2.01 -0.18 -4.88 115.64 114.63 1sre s THR 71 Ca 0.67 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.97 1sre s THR 71 Cb -0.08 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1sre s THR 71 CO 0.50 0.11 1.25 0.00 -0.69 0.00 0.00 174.62 175.80 1sre s ALA 72 N 1.59 3.29 0.16 7.40 0.00 -1.26 -0.15 121.76 132.79 1sre s ALA 72 Ca 0.04 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 1sre s ALA 72 Cb -0.17 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.57 1sre s ALA 72 CO 0.05 -0.66 0.87 -0.48 0.00 0.00 0.00 175.76 175.54 1sre s LEU 73 N -2.25 -0.24 0.07 0.00 2.34 -0.57 -1.44 118.68 116.59 1sre s LEU 73 Ca 0.54 -0.38 -0.26 0.00 0.06 0.00 0.00 54.13 54.10 1sre s LEU 73 Cb -0.36 2.30 0.08 0.00 -0.56 0.00 0.00 46.19 47.66 1sre s LEU 73 CO 0.46 -0.98 0.70 -0.83 -1.06 0.00 0.00 176.35 174.65 1sre s GLY 74 N -2.87 -0.56 0.12 -3.48 0.00 -0.79 -1.41 107.32 98.34 1sre s GLY 74 Ca 0.10 0.83 -0.20 0.00 0.00 0.00 0.00 44.72 45.45 1sre s GLY 74 CO 0.01 0.37 0.50 0.66 0.00 0.00 0.00 173.10 174.64 1sre s TRP 75 N -3.06 -0.38 0.15 1.90 -2.14 -0.53 -2.03 118.94 112.85 1sre s TRP 75 Ca -0.00 0.19 0.08 0.00 2.66 0.00 0.00 56.10 59.03 1sre s TRP 75 Cb -0.01 0.39 -0.04 0.00 -3.10 0.00 0.00 33.47 30.71 1sre s TRP 75 CO -0.08 -0.74 -0.18 0.99 -2.66 0.00 0.00 176.95 174.28 1sre s THR 76 N -3.46 1.76 -0.04 0.66 2.01 -0.43 -1.04 115.64 115.10 1sre s THR 76 Ca 0.00 -1.83 -0.00 0.00 0.31 0.00 0.00 61.69 60.17 1sre s THR 76 Cb 0.00 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1sre s THR 76 CO -0.10 -0.27 0.01 -0.69 -0.69 0.00 0.00 174.62 172.88 1sre s VAL 77 N -1.88 0.14 -0.23 3.82 1.01 -0.61 -2.64 120.40 120.02 1sre s VAL 77 Ca 0.13 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1sre s VAL 77 Cb -0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1sre s VAL 77 CO 0.06 0.17 0.13 0.00 0.00 0.00 0.00 175.10 175.46 1sre s ALA 78 N 1.42 3.50 -0.60 5.51 0.00 -1.26 -1.26 121.76 129.07 1sre s ALA 78 Ca -0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1sre s ALA 78 Cb -0.13 -2.22 -0.11 0.00 0.00 0.00 0.00 23.12 20.66 1sre s ALA 78 CO -0.03 -0.19 2.42 0.91 0.00 0.00 0.00 175.76 178.87 1sre n TRP 79 N 4.30 0.89 -4.14 0.00 7.02 -0.68 -4.77 117.44 120.06 1sre n TRP 79 Ca -0.15 -1.67 -0.18 0.00 -1.02 0.00 0.00 57.50 54.47 1sre n TRP 79 Cb 0.52 -1.56 -0.16 0.00 -2.42 0.00 0.00 31.31 27.69 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 2.48 0.62 0.00 -0.99 2.20 -1.26 -1.43 119.74 121.36 1sre s LYS 80 Ca 0.45 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1sre s LYS 80 Cb 0.16 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 1sre s LYS 80 CO -0.02 -0.02 0.00 0.27 -0.36 0.00 0.00 175.35 175.22 1sre n ASN 81 N 3.70 0.00 0.00 1.43 0.23 -0.78 -4.77 115.26 115.07 1sre n ASN 81 Ca -0.22 -0.75 0.11 0.00 -0.53 0.00 0.00 54.58 53.19 1sre n ASN 81 Cb 0.53 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.79 1sre n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1sre n ASN 82 N -1.90 0.00 -0.04 0.53 3.02 -1.26 -3.95 115.26 111.66 1sre n ASN 82 Ca 0.00 0.04 -0.04 0.00 -0.03 0.00 0.00 54.58 54.55 1sre n ASN 82 Cb 0.00 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 1sre n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sre n TYR 83 N -1.32 0.00 -3.91 3.10 4.01 -1.26 -5.09 117.16 112.69 1sre n TYR 83 Ca 0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.75 1sre n TYR 83 Cb 0.20 -0.38 -0.08 0.00 -0.31 0.00 0.00 39.34 38.77 1sre n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sre s ARG 84 N -2.19 0.87 -0.13 -0.72 0.52 -1.25 -5.08 118.95 110.98 1sre s ARG 84 Ca -0.05 -1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 54.08 1sre s ARG 84 Cb 0.02 0.33 0.06 0.00 0.52 0.00 0.00 34.95 35.89 1sre s ARG 84 CO 0.30 -0.28 0.21 1.21 0.02 0.00 0.00 175.30 176.77 1sre s ASN 85 N -2.89 0.71 0.00 0.23 3.84 -1.26 -1.87 114.94 113.70 1sre s ASN 85 Ca 0.08 0.33 0.24 0.00 0.21 0.00 0.00 52.86 53.72 1sre s ASN 85 Cb 0.05 0.47 0.16 0.00 -0.55 0.00 0.00 41.25 41.38 1sre s ASN 85 CO -0.09 -0.26 1.23 0.00 -2.79 0.00 0.00 177.10 175.20 1sre n ALA 86 N 5.33 2.68 -3.65 1.71 0.00 -0.52 -4.99 120.51 121.08 1sre n ALA 86 Ca -0.05 -0.68 -0.21 0.00 0.00 0.00 0.00 53.44 52.50 1sre n ALA 86 Cb 0.50 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 1.06 -1.96 -3.80 0.00 -0.00 -1.26 -4.86 115.22 104.40 1sre n HIS 87 Ca 0.13 0.85 -0.09 0.00 -0.00 0.00 0.00 57.72 58.61 1sre n HIS 87 Cb 0.57 -4.50 -0.04 0.00 -0.00 0.00 0.00 29.99 26.02 1sre n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1sre s SER 88 N -4.35 -0.23 -0.08 0.41 1.04 -1.26 -0.98 113.70 108.25 1sre s SER 88 Ca 0.01 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 1sre s SER 88 Cb -0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1sre s SER 88 CO 0.80 -1.11 0.31 0.00 0.98 0.00 0.00 173.24 174.22 1sre s ALA 89 N -3.91 -0.77 0.01 5.32 0.00 -0.49 -1.69 121.76 120.24 1sre s ALA 89 Ca 0.12 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.79 1sre s ALA 89 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1sre s ALA 89 CO 0.01 -0.19 -0.19 0.99 0.00 0.00 0.00 175.76 176.38 1sre s THR 90 N -0.45 2.73 -0.10 0.00 2.01 -0.39 -0.74 115.64 118.70 1sre s THR 90 Ca -0.06 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.89 1sre s THR 90 Cb -0.04 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.39 1sre s THR 90 CO 0.02 0.43 -0.16 0.42 -0.69 0.00 0.00 174.62 174.65 1sre s THR 91 N -0.83 1.48 -0.16 -0.82 -4.23 -0.26 -1.57 115.64 109.25 1sre s THR 91 Ca 0.13 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1sre s THR 91 Cb -0.10 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 1sre s THR 91 CO 0.03 0.44 -0.02 0.26 -0.54 0.00 0.00 174.62 174.79 1sre s TRP 92 N 0.84 3.06 -0.09 3.99 0.51 -0.21 -1.33 118.94 125.72 1sre s TRP 92 Ca -0.10 -0.25 0.03 0.00 -2.12 0.00 0.00 56.10 53.66 1sre s TRP 92 Cb -0.15 -1.99 0.01 0.00 -0.81 0.00 0.00 33.47 30.53 1sre s TRP 92 CO 0.01 -0.02 -0.16 0.45 -0.51 0.00 0.00 176.95 176.71 1sre s SER 93 N 0.41 2.34 0.00 2.95 0.15 -0.40 -1.45 113.70 117.69 1sre s SER 93 Ca -0.03 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1sre s SER 93 Cb -0.14 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1sre s SER 93 CO 0.02 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1sre n GLY 94 N 3.85 1.68 2.94 9.45 0.00 -0.50 -1.74 105.19 120.88 1sre n GLY 94 Ca -0.21 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 1.22 0.20 -0.11 1.61 -2.07 -0.80 -1.51 119.66 118.21 1sre s GLN 95 Ca 0.00 -0.39 -0.18 0.00 -1.82 0.00 0.00 55.36 52.98 1sre s GLN 95 Cb 0.00 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 1sre s GLN 95 CO 0.00 -0.03 0.46 -0.47 -1.32 0.00 0.00 175.29 173.92 1sre s TYR 96 N -0.94 3.52 -0.20 9.60 5.04 0.79 -1.79 117.35 133.37 1sre s TYR 96 Ca -0.10 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.41 1sre s TYR 96 Cb -0.06 -2.52 0.04 0.00 0.35 0.00 0.00 41.96 39.77 1sre s TYR 96 CO -0.01 0.21 -0.12 0.08 -1.34 0.00 0.00 175.55 174.37 1sre s VAL 97 N 0.49 1.75 0.25 3.14 1.01 0.58 -1.01 120.40 126.60 1sre s VAL 97 Ca 0.25 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1sre s VAL 97 Cb -0.15 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1sre s VAL 97 CO 0.10 0.22 0.34 0.61 0.00 0.00 0.00 175.10 176.36 1sre n GLY 98 N 4.66 -0.94 0.00 4.51 0.00 -1.26 -1.05 105.19 111.10 1sre n GLY 98 Ca -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 2.76 0.57 0.44 -0.02 0.00 -1.26 -4.69 105.19 102.98 1sre n GLY 99 Ca 0.04 -2.24 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.88 -3.16 4.61 0.00 -2.07 -3.33 119.26 114.43 1sre h ALA 100 Ca 0.00 -0.12 -0.70 0.00 0.00 0.00 0.00 54.91 54.10 1sre h ALA 100 Cb 0.00 0.71 -0.33 0.00 0.00 0.00 0.00 17.79 18.17 1sre h ALA 100 CO 0.00 -1.05 -0.57 -2.00 0.00 0.00 0.00 179.25 175.63 1sre s GLU 101 N -5.90 2.22 0.54 0.00 -6.30 -1.26 -5.08 118.70 102.92 1sre s GLU 101 Ca -0.17 -1.61 -0.20 0.00 -2.50 0.00 0.00 54.97 50.49 1sre s GLU 101 Cb 0.06 -3.53 -0.06 0.00 0.00 0.00 0.00 34.13 30.61 1sre s GLU 101 CO 0.62 -0.94 1.14 0.00 0.02 0.00 0.00 175.26 176.11 1sre s ALA 102 N 1.23 2.72 -0.02 6.30 0.00 -1.25 -4.88 121.76 125.86 1sre s ALA 102 Ca 0.04 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1sre s ALA 102 Cb -0.22 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.57 1sre s ALA 102 CO -0.02 -0.79 0.45 1.03 0.00 0.00 0.00 175.76 176.42 1sre s ARG 103 N -3.20 0.84 -0.21 0.00 0.52 -0.22 -3.48 118.95 113.19 1sre s ARG 103 Ca 0.72 -0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 1sre s ARG 103 Cb -0.25 0.38 0.04 0.00 0.52 0.00 0.00 34.95 35.64 1sre s ARG 103 CO 0.29 -0.25 -0.14 0.42 0.02 0.00 0.00 175.30 175.63 1sre s ILE 104 N -1.48 1.95 -0.20 1.52 1.01 -0.86 -0.31 121.20 122.83 1sre s ILE 104 Ca -0.11 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1sre s ILE 104 Cb -0.03 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1sre s ILE 104 CO 0.05 0.23 0.19 0.20 0.00 0.00 0.00 174.94 175.61 1sre s ASN 105 N 1.27 6.24 0.16 3.58 0.01 -0.74 -0.44 114.94 125.03 1sre s ASN 105 Ca -0.02 0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 1sre s ASN 105 Cb -0.16 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1sre s ASN 105 CO -0.09 0.12 0.12 0.42 -1.51 0.00 0.00 177.10 176.16 1sre s THR 106 N 0.64 0.06 0.01 1.60 -4.23 -0.14 -1.91 115.64 111.66 1sre s THR 106 Ca 0.10 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1sre s THR 106 Cb -0.12 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1sre s THR 106 CO 0.02 -0.25 -0.14 -1.10 -0.54 0.00 0.00 174.62 172.60 1sre s GLN 107 N -4.08 1.09 0.15 3.99 -0.21 -0.71 -2.18 119.66 117.71 1sre s GLN 107 Ca 0.29 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 55.11 1sre s GLN 107 Cb 0.07 -1.07 -0.04 0.00 1.00 0.00 0.00 33.01 32.96 1sre s GLN 107 CO 0.06 0.28 -0.08 1.67 -2.12 0.00 0.00 175.29 175.10 1sre s TRP 108 N -0.52 1.27 -0.09 0.91 1.48 0.42 -1.28 118.94 121.14 1sre s TRP 108 Ca 0.04 -0.80 0.02 0.00 -1.06 0.00 0.00 56.10 54.30 1sre s TRP 108 Cb -0.06 -0.66 0.01 0.00 -1.16 0.00 0.00 33.47 31.60 1sre s TRP 108 CO 0.00 0.04 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.28 1sre s LEU 109 N -3.18 1.68 -0.24 -4.66 1.43 -0.44 -2.17 118.68 111.10 1sre s LEU 109 Ca 0.18 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1sre s LEU 109 Cb 0.03 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.30 1sre s LEU 109 CO 0.01 0.02 -0.09 -0.22 0.23 0.00 0.00 176.35 176.30 1sre s LEU 110 N 0.85 3.08 -0.11 1.79 2.96 -0.41 -1.10 118.68 125.73 1sre s LEU 110 Ca -0.10 -0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 52.84 1sre s LEU 110 Cb -0.15 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1sre s LEU 110 CO 0.01 -0.12 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.95 1sre s THR 111 N 1.27 3.54 0.00 3.68 2.01 0.08 -1.41 115.64 124.81 1sre s THR 111 Ca -0.01 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1sre s THR 111 Cb -0.17 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1sre s THR 111 CO -0.06 0.54 0.10 -0.44 -0.69 0.00 0.00 174.62 174.07 1sre s SER 112 N -0.07 5.79 0.09 3.53 0.01 -0.59 -1.40 113.70 121.06 1sre s SER 112 Ca -0.00 0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.12 1sre s SER 112 Cb -0.13 -1.68 -0.07 0.00 0.21 0.00 0.00 66.02 64.35 1sre s SER 112 CO 0.03 0.26 1.27 -0.83 0.41 0.00 0.00 173.24 174.38 1sre s GLY 113 N -1.84 2.27 0.24 3.44 0.00 -0.16 -4.85 107.32 106.43 1sre s GLY 113 Ca 0.24 0.95 0.02 0.00 0.00 0.00 0.00 44.72 45.93 1sre s GLY 113 CO 0.16 2.13 0.17 -0.51 0.00 0.00 0.00 173.10 175.05 1sre s THR 114 N 1.00 0.04 0.75 0.90 -4.23 -1.26 -5.02 115.64 107.82 1sre s THR 114 Ca 0.60 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1sre s THR 114 Cb -0.32 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.07 1sre s THR 114 CO 0.30 0.00 1.11 0.42 -0.54 0.00 0.00 174.62 175.91 1sre s THR 115 N -3.92 2.49 0.20 3.99 -4.23 -1.26 -4.88 115.64 108.03 1sre s THR 115 Ca 0.39 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.84 1sre s THR 115 Cb 0.06 -3.13 0.12 0.00 1.34 0.00 0.00 72.50 70.88 1sre s THR 115 CO 0.17 -0.17 1.78 -0.33 -0.54 0.00 0.00 174.62 175.53 1sre h GLU 116 N -0.81 0.52 -0.32 3.99 4.39 -2.01 -2.59 114.58 117.75 1sre h GLU 116 Ca -0.45 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1sre h GLU 116 Cb 1.31 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1sre h GLU 116 CO 0.64 0.34 0.18 0.00 -1.16 0.00 0.00 179.01 179.01 1sre h ALA 117 N 1.34 1.72 -0.51 3.43 0.00 -2.07 -2.89 119.26 120.29 1sre h ALA 117 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sre h ALA 117 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sre h ALA 117 CO -0.21 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1sre n ASN 118 N -4.46 3.64 0.20 0.00 3.02 -1.01 -4.60 115.26 112.05 1sre n ASN 118 Ca 0.02 -1.99 0.14 0.00 -0.03 0.00 0.00 54.58 52.72 1sre n ASN 118 Cb 0.09 -0.33 0.76 0.00 -0.61 0.00 0.00 39.78 39.68 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 4.39 1.95 0.00 5.41 0.00 -1.25 -2.24 119.26 127.52 1sre h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sre h ALA 119 Cb 0.99 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sre h ALA 119 CO 0.00 -0.21 -0.11 0.11 0.00 0.00 0.00 179.25 179.04 1sre h TRP 120 N 0.00 0.00 -0.35 0.00 5.08 -1.82 -2.71 115.95 116.14 1sre h TRP 120 Ca 0.07 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.88 1sre h TRP 120 Cb 0.34 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.40 1sre h TRP 120 CO 0.00 0.11 -0.06 0.36 -1.28 0.00 0.00 178.44 177.57 1sre n LYS 121 N -3.62 1.95 0.13 0.12 2.85 -0.84 -4.67 118.16 114.08 1sre n LYS 121 Ca -0.02 -3.14 0.03 0.00 -1.05 0.00 0.00 58.31 54.13 1sre n LYS 121 Cb 0.23 -1.82 0.02 0.00 -0.65 0.00 0.00 35.03 32.81 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 1.07 0.00 -3.30 -5.58 4.64 -1.55 -3.46 113.55 105.37 1sre h SER 122 Ca 0.21 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.85 1sre h SER 122 Cb 1.66 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.42 1sre h SER 122 CO 0.38 0.44 -0.87 -0.89 -0.87 0.00 0.00 176.83 175.03 1sre s THR 123 N -3.00 2.12 0.11 2.95 2.01 -1.26 -1.55 115.64 117.02 1sre s THR 123 Ca 0.03 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1sre s THR 123 Cb 0.08 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1sre s THR 123 CO 0.75 0.55 0.23 -0.76 -0.69 0.00 0.00 174.62 174.71 1sre s LEU 124 N 0.49 4.30 0.02 4.42 1.43 -0.50 -4.93 118.68 123.90 1sre s LEU 124 Ca -0.15 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1sre s LEU 124 Cb -0.17 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1sre s LEU 124 CO 0.05 0.11 -0.12 0.54 0.23 0.00 0.00 176.35 177.17 1sre s VAL 125 N -1.62 0.96 0.04 -1.59 0.11 -1.26 -1.29 120.40 115.74 1sre s VAL 125 Ca 0.34 -0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 1sre s VAL 125 Cb -0.12 -0.85 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1sre s VAL 125 CO 0.28 0.07 0.07 0.61 -3.33 0.00 0.00 175.10 172.80 1sre n GLY 126 N 2.24 2.01 3.06 6.54 0.00 -0.92 -4.99 105.19 113.12 1sre n GLY 126 Ca -0.17 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -7.98 -0.19 0.02 1.61 -3.43 -1.26 -0.44 115.29 103.62 1sre s HIS 127 Ca 0.02 0.47 0.02 0.00 -0.80 0.00 0.00 55.06 54.77 1sre s HIS 127 Cb -0.00 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.20 1sre s HIS 127 CO 0.01 -0.09 -0.06 -0.51 -2.00 0.00 0.00 174.74 172.09 1sre s ASP 128 N 0.10 0.63 -0.09 7.38 1.01 -0.93 -4.97 116.67 119.80 1sre s ASP 128 Ca -0.00 -0.37 0.04 0.00 0.71 0.00 0.00 52.55 52.93 1sre s ASP 128 Cb -0.01 0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.93 1sre s ASP 128 CO 0.00 -0.12 -0.24 -0.89 0.21 0.00 0.00 175.17 174.13 1sre s THR 129 N -0.92 2.03 -0.09 -1.27 2.01 -1.26 -0.97 115.64 115.17 1sre s THR 129 Ca -0.07 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 1sre s THR 129 Cb -0.07 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1sre s THR 129 CO 0.00 0.56 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.07 1sre s PHE 130 N 0.27 2.98 -0.10 4.92 0.40 0.42 -3.79 117.98 123.08 1sre s PHE 130 Ca -0.16 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1sre s PHE 130 Cb -0.17 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 1sre s PHE 130 CO 0.08 0.26 -0.12 0.99 0.70 0.00 0.00 175.22 177.13 1sre s THR 131 N -0.56 3.21 0.17 0.64 2.01 0.51 -2.03 115.64 119.59 1sre s THR 131 Ca 0.09 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1sre s THR 131 Cb -0.12 -2.32 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 1sre s THR 131 CO 0.02 0.56 0.92 -0.75 -0.69 0.00 0.00 174.62 174.67 1sre s LYS 132 N -0.18 4.74 0.00 4.92 2.20 -1.23 -1.16 119.74 129.03 1sre s LYS 132 Ca 0.01 1.41 0.28 0.00 -0.36 0.00 0.00 55.97 57.31 1sre s LYS 132 Cb -0.13 -3.32 1.16 0.00 -1.51 0.00 0.00 37.83 34.03 1sre s LYS 132 CO 0.03 0.40 1.81 0.28 -0.36 0.00 0.00 175.35 177.51