#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srj n GLU 14 N 0.00 -0.09 -0.33 0.00 1.02 -1.26 0.35 120.64 120.32 1srj n GLU 14 Ca 0.00 0.54 -0.03 0.00 -0.02 0.00 0.00 57.16 57.65 1srj n GLU 14 Cb 0.00 -0.81 0.09 0.00 -0.02 0.00 0.00 31.44 30.70 1srj n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1srj h ALA 15 N -0.12 1.14 0.34 0.62 0.00 -1.92 -0.73 119.26 118.59 1srj h ALA 15 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1srj h ALA 15 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1srj h ALA 15 CO -0.20 0.57 -0.33 0.78 0.00 0.00 0.00 179.25 180.07 1srj h GLY 16 N 1.23 -0.76 0.92 0.00 0.00 0.56 -3.22 103.07 101.80 1srj h GLY 16 Ca 0.33 0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.93 1srj h GLY 16 CO -0.07 -0.28 -0.22 -2.22 0.00 0.00 0.00 176.54 173.75 1srj h ILE 17 N -0.69 1.31 -2.46 2.60 2.04 0.63 -3.45 117.51 117.50 1srj h ILE 17 Ca -0.02 -1.37 -0.58 0.00 1.00 0.00 0.00 64.86 63.89 1srj h ILE 17 Cb 0.62 1.59 0.07 0.00 -0.74 0.00 0.00 36.82 38.35 1srj h ILE 17 CO -0.06 0.43 0.71 0.41 0.00 0.00 0.00 178.15 179.65 1srj n THR 18 N -4.35 0.44 -1.22 -0.27 -1.04 -0.29 -4.82 114.28 102.73 1srj n THR 18 Ca -0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1srj n THR 18 Cb 0.43 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1srj n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1srj n GLY 19 N 2.81 0.46 3.49 3.41 0.00 0.24 -4.94 105.19 110.66 1srj n GLY 19 Ca 0.14 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1srj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1srj s THR 20 N -2.82 3.64 0.11 2.61 2.01 -1.26 -0.64 115.64 119.28 1srj s THR 20 Ca 0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1srj s THR 20 Cb 0.00 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1srj s THR 20 CO 0.00 0.53 -0.09 0.26 -0.69 0.00 0.00 174.62 174.63 1srj s TRP 21 N 0.01 1.04 0.04 4.92 0.52 0.19 -1.46 118.94 124.20 1srj s TRP 21 Ca -0.01 -0.74 0.02 0.00 0.02 0.00 0.00 56.10 55.39 1srj s TRP 21 Cb -0.14 -0.57 -0.02 0.00 -1.15 0.00 0.00 33.47 31.59 1srj s TRP 21 CO 0.03 -0.03 -0.08 0.71 0.02 0.00 0.00 176.95 177.60 1srj s TYR 22 N -2.91 0.71 0.56 -1.98 2.02 -0.44 -0.83 117.35 114.47 1srj s TYR 22 Ca 0.09 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.35 1srj s TYR 22 Cb 0.00 -0.42 0.07 0.00 -0.40 0.00 0.00 41.96 41.21 1srj s TYR 22 CO -0.01 -0.08 0.55 0.27 -1.57 0.00 0.00 175.55 174.71 1srj n ASN 23 N 1.43 2.54 0.26 2.29 6.94 -0.81 -0.38 115.26 127.52 1srj n ASN 23 Ca -0.23 -2.77 0.17 0.00 -0.02 0.00 0.00 54.58 51.73 1srj n ASN 23 Cb 0.55 -0.18 0.78 0.00 -2.36 0.00 0.00 39.78 38.57 1srj n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1srj h GLN 24 N 0.00 0.00 0.00 -3.83 -0.00 -1.90 -2.33 115.11 107.06 1srj h GLN 24 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1srj h GLN 24 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1srj h GLN 24 CO 0.49 0.00 -0.46 1.28 -0.00 0.00 0.00 178.83 180.14 1srj n LEU 25 N -2.85 0.54 0.00 0.06 4.77 -1.26 -4.93 117.00 113.34 1srj n LEU 25 Ca -0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1srj n LEU 25 Cb 0.20 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1srj n LEU 25 CO 0.22 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1srj n GLY 26 N 1.42 0.92 3.80 -0.72 0.00 -0.87 -4.79 105.19 104.94 1srj n GLY 26 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1srj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1srj s SER 27 N -2.18 6.50 -0.14 1.61 0.01 -1.26 -4.70 113.70 113.54 1srj s SER 27 Ca 0.00 1.89 -0.01 0.00 1.31 0.00 0.00 55.95 59.14 1srj s SER 27 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1srj s SER 27 CO 0.00 -0.67 -0.11 -0.89 0.41 0.00 0.00 173.24 171.98 1srj s THR 28 N -1.99 3.25 -0.19 1.44 2.01 0.35 -1.92 115.64 118.59 1srj s THR 28 Ca 0.65 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1srj s THR 28 Cb -0.15 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.00 1srj s THR 28 CO 0.19 0.51 -0.14 0.12 -0.69 0.00 0.00 174.62 174.62 1srj s PHE 29 N 0.38 2.53 -0.23 4.92 5.36 -0.01 0.06 117.98 130.99 1srj s PHE 29 Ca -0.09 -1.57 -0.05 0.00 -0.96 0.00 0.00 56.93 54.26 1srj s PHE 29 Cb -0.15 -1.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.78 1srj s PHE 29 CO 0.05 -0.75 -0.01 0.42 -1.46 0.00 0.00 175.22 173.46 1srj s ILE 30 N 1.36 3.63 0.03 3.12 1.01 -0.19 -0.64 121.20 129.53 1srj s ILE 30 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1srj s ILE 30 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 1srj s ILE 30 CO -0.10 0.40 -0.08 0.54 0.00 0.00 0.00 174.94 175.71 1srj s VAL 31 N 1.48 0.57 -0.14 2.92 0.11 0.18 -1.07 120.40 124.45 1srj s VAL 31 Ca 0.06 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1srj s VAL 31 Cb -0.14 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1srj s VAL 31 CO -0.01 -0.24 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.46 1srj s THR 32 N -1.05 1.72 -0.31 5.04 2.01 0.53 -0.59 115.64 122.99 1srj s THR 32 Ca -0.06 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.02 1srj s THR 32 Cb -0.08 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1srj s THR 32 CO 0.00 0.48 0.47 0.00 -0.69 0.00 0.00 174.62 174.88 1srj s ALA 33 N 1.21 3.53 0.47 7.40 0.00 -1.26 -2.24 121.76 130.87 1srj s ALA 33 Ca -0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1srj s ALA 33 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1srj s ALA 33 CO -0.07 -0.94 0.78 0.20 0.00 0.00 0.00 175.76 175.73 1srj s GLY 34 N 1.67 1.56 0.55 0.00 0.00 0.85 -4.78 107.32 107.17 1srj s GLY 34 Ca 0.18 -0.46 0.29 0.00 0.00 0.00 0.00 44.72 44.73 1srj s GLY 34 CO 0.11 -0.29 2.13 0.00 0.00 0.00 0.00 173.10 175.05 1srj h ALA 35 N 0.38 1.30 -0.22 3.20 0.00 -1.98 -1.75 119.26 120.19 1srj h ALA 35 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1srj h ALA 35 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1srj h ALA 35 CO 0.62 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1srj n ASP 36 N -3.62 1.31 0.00 0.00 5.75 -1.26 -4.90 116.55 113.83 1srj n ASP 36 Ca -0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1srj n ASP 36 Cb 0.19 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1srj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1srj n GLY 37 N 0.80 0.73 3.80 6.12 0.00 -0.66 -5.01 105.19 110.98 1srj n GLY 37 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1srj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srj s ALA 38 N -2.45 3.25 -0.04 4.61 0.00 -1.25 -1.19 121.76 124.69 1srj s ALA 38 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1srj s ALA 38 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1srj s ALA 38 CO 0.00 0.22 -0.24 -0.51 0.00 0.00 0.00 175.76 175.23 1srj s LEU 39 N -2.24 2.04 -0.03 0.00 1.43 0.61 -0.11 118.68 120.38 1srj s LEU 39 Ca 0.50 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1srj s LEU 39 Cb -0.16 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.78 1srj s LEU 39 CO 0.21 0.26 0.20 0.42 0.23 0.00 0.00 176.35 177.67 1srj s THR 40 N -0.31 0.05 -2.27 5.49 -4.23 -0.95 -1.84 115.64 111.57 1srj s THR 40 Ca 0.02 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1srj s THR 40 Cb -0.12 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1srj s THR 40 CO 0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 1srj n GLY 41 N 2.02 -0.60 3.00 3.99 0.00 -1.17 -0.35 105.19 112.09 1srj n GLY 41 Ca -0.19 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1srj n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1srj s THR 42 N -3.49 0.11 -0.07 2.61 -1.32 -0.23 -1.75 115.64 111.51 1srj s THR 42 Ca 0.00 -0.93 0.05 0.00 -1.21 0.00 0.00 61.69 59.60 1srj s THR 42 Cb 0.00 -0.36 -0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1srj s THR 42 CO 0.00 -0.51 -0.21 -0.47 -2.21 0.00 0.00 174.62 171.22 1srj s TYR 43 N -1.60 2.16 -0.29 9.09 6.14 0.12 -1.02 117.35 131.95 1srj s TYR 43 Ca -0.15 -0.73 0.02 0.00 0.64 0.00 0.00 57.07 56.85 1srj s TYR 43 Cb -0.09 -1.45 0.08 0.00 0.42 0.00 0.00 41.96 40.93 1srj s TYR 43 CO -0.01 -0.27 0.01 -2.00 0.64 0.00 0.00 175.55 173.92 1srj s GLU 44 N 0.13 1.43 0.18 4.97 2.12 0.11 -0.68 118.70 126.96 1srj s GLU 44 Ca -0.09 -1.32 -0.19 0.00 0.36 0.00 0.00 54.97 53.72 1srj s GLU 44 Cb -0.15 -2.69 -0.08 0.00 0.26 0.00 0.00 34.13 31.48 1srj s GLU 44 CO 0.05 -0.79 0.68 0.45 -0.54 0.00 0.00 175.26 175.11 1srj s SER 45 N 1.26 7.07 0.15 -1.70 0.15 -1.26 -0.50 113.70 118.86 1srj s SER 45 Ca 0.03 1.37 0.22 0.00 0.70 0.00 0.00 55.95 58.27 1srj s SER 45 Cb -0.19 -2.40 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 1srj s SER 45 CO -0.11 0.11 0.91 0.00 1.20 0.00 0.00 173.24 175.36 1srj n ALA 46 N 1.03 2.61 -2.31 5.45 0.00 -1.26 -4.79 120.51 121.23 1srj n ALA 46 Ca -0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1srj n ALA 46 Cb 0.51 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1srj n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1srj s VAL 47 N -3.40 1.27 0.00 0.00 -7.23 -1.26 -5.06 120.40 104.73 1srj s VAL 47 Ca -0.02 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1srj s VAL 47 Cb 0.11 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1srj s VAL 47 CO 0.82 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 1srj n GLY 48 N -0.34 -1.84 2.55 2.32 0.00 -1.26 -4.51 105.19 102.11 1srj n GLY 48 Ca -0.08 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1srj n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1srj n ASN 49 N 0.01 7.72 -4.64 1.61 5.15 -1.26 -4.96 115.26 118.88 1srj n ASN 49 Ca 0.00 -3.28 -0.26 0.00 -0.60 0.00 0.00 54.58 50.44 1srj n ASN 49 Cb 0.00 -1.32 -0.10 0.00 -0.53 0.00 0.00 39.78 37.84 1srj n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1srj s ALA 50 N -1.91 3.26 0.00 5.20 0.00 -1.26 -4.76 121.76 122.29 1srj s ALA 50 Ca 0.49 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1srj s ALA 50 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1srj s ALA 50 CO -0.09 -0.07 0.00 -0.85 0.00 0.00 0.00 175.76 174.74 1srj n GLU 51 N -1.01 0.00 -0.08 0.00 0.28 -1.26 -5.06 120.64 113.51 1srj n GLU 51 Ca -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.97 1srj n GLU 51 Cb 0.65 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.52 1srj n GLU 51 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1srj n SER 52 N 0.00 -1.97 -4.95 -1.84 2.88 -1.26 -4.80 113.62 101.68 1srj n SER 52 Ca 0.00 0.08 -0.23 0.00 -1.33 0.00 0.00 58.87 57.39 1srj n SER 52 Cb 0.00 -0.23 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 1srj n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1srj s ARG 53 N -0.23 3.43 0.05 -1.46 1.70 -1.26 -4.50 118.95 116.67 1srj s ARG 53 Ca 0.00 -0.47 0.05 0.00 -0.47 0.00 0.00 55.73 54.84 1srj s ARG 53 Cb 0.00 -2.71 -0.02 0.00 -0.57 0.00 0.00 34.95 31.64 1srj s ARG 53 CO 0.00 0.18 -0.14 0.71 -1.08 0.00 0.00 175.30 174.96 1srj s TYR 54 N -2.25 1.24 0.32 5.89 1.51 0.15 -4.84 117.35 119.37 1srj s TYR 54 Ca 0.39 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.78 1srj s TYR 54 Cb -0.09 -0.72 -0.09 0.00 -0.11 0.00 0.00 41.96 40.94 1srj s TYR 54 CO 0.34 0.05 1.15 0.08 -1.11 0.00 0.00 175.55 176.06 1srj s VAL 55 N -1.00 3.30 0.12 0.71 1.01 -1.26 0.11 120.40 123.39 1srj s VAL 55 Ca 0.01 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.29 1srj s VAL 55 Cb -0.09 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1srj s VAL 55 CO 0.02 0.25 -0.15 -1.48 0.00 0.00 0.00 175.10 173.73 1srj s LEU 56 N -1.80 2.38 -0.07 3.92 0.05 -0.71 -4.43 118.68 118.01 1srj s LEU 56 Ca 0.49 -0.78 -0.09 0.00 0.05 0.00 0.00 54.13 53.80 1srj s LEU 56 Cb -0.32 -0.62 0.02 0.00 -2.05 0.00 0.00 46.19 43.21 1srj s LEU 56 CO 0.42 -0.10 0.24 0.28 -0.55 0.00 0.00 176.35 176.64 1srj s THR 57 N -1.90 0.02 0.14 5.48 -1.32 -1.01 -3.07 115.64 113.97 1srj s THR 57 Ca 0.08 -0.14 -0.08 0.00 -1.21 0.00 0.00 61.69 60.34 1srj s THR 57 Cb -0.06 -0.39 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 1srj s THR 57 CO 0.04 -0.08 0.41 0.61 -2.21 0.00 0.00 174.62 173.39 1srj n GLY 58 N 2.57 1.30 3.06 6.08 0.00 -0.77 -0.92 105.19 116.52 1srj n GLY 58 Ca -0.15 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1srj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1srj s ARG 59 N -2.03 0.54 0.18 1.61 1.81 -0.75 -0.29 118.95 120.01 1srj s ARG 59 Ca 0.09 -1.06 -0.10 0.00 -1.72 0.00 0.00 55.73 52.94 1srj s ARG 59 Cb -0.02 0.16 -0.01 0.00 -0.45 0.00 0.00 34.95 34.63 1srj s ARG 59 CO 0.04 -0.09 0.31 1.52 -0.68 0.00 0.00 175.30 176.41 1srj s TYR 60 N -3.23 0.40 -0.52 -0.53 1.13 -0.34 -1.79 117.35 112.47 1srj s TYR 60 Ca 0.01 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.64 1srj s TYR 60 Cb 0.03 -0.02 0.03 0.00 -1.10 0.00 0.00 41.96 40.90 1srj s TYR 60 CO -0.07 -0.76 1.11 0.34 -2.51 0.00 0.00 175.55 173.65 1srj s ASP 61 N -2.98 6.51 0.00 -0.18 2.15 -0.49 -4.70 116.67 116.98 1srj s ASP 61 Ca 0.18 0.19 0.27 0.00 0.43 0.00 0.00 52.55 53.62 1srj s ASP 61 Cb 0.03 -2.52 1.45 0.00 -0.30 0.00 0.00 42.92 41.57 1srj s ASP 61 CO 0.02 -1.31 1.93 -1.54 -0.17 0.00 0.00 175.17 174.09 1srj n SER 62 N 7.95 0.00 -3.19 -0.34 3.41 -1.26 -4.09 113.62 116.10 1srj n SER 62 Ca 0.09 -0.38 -0.23 0.00 -0.26 0.00 0.00 58.87 58.09 1srj n SER 62 Cb 0.49 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1srj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1srj n ALA 63 N -1.18 2.35 -1.02 7.33 0.00 -1.26 -4.97 120.51 121.77 1srj n ALA 63 Ca 0.16 -3.39 -0.31 0.00 0.00 0.00 0.00 53.44 49.90 1srj n ALA 63 Cb 0.17 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 18.93 1srj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1srj s PRO 64 N -1.31 1.40 0.00 0.00 0.04 -1.26 -5.17 135.00 128.70 1srj s PRO 64 Ca 0.36 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1srj s PRO 64 Cb 0.19 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1srj s PRO 64 CO -0.11 -2.25 0.11 0.00 0.04 0.00 0.00 177.00 174.80 1srj n ALA 65 N -3.93 0.00 -0.09 8.56 0.00 -1.26 -5.16 120.51 118.62 1srj n ALA 65 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 1srj n ALA 65 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1srj n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1srj n SER 69 N -0.12 1.86 -4.73 0.00 7.64 -1.26 -5.10 113.62 111.91 1srj n SER 69 Ca 0.00 0.48 -0.32 0.00 1.01 0.00 0.00 58.87 60.04 1srj n SER 69 Cb 0.00 -0.88 0.10 0.00 -1.01 0.00 0.00 64.21 62.42 1srj n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1srj s GLY 70 N -4.71 1.91 -0.30 0.23 0.00 -1.26 -4.96 107.32 98.22 1srj s GLY 70 Ca -0.25 0.53 -0.09 0.00 0.00 0.00 0.00 44.72 44.92 1srj s GLY 70 CO 0.41 0.91 0.13 -1.59 0.00 0.00 0.00 173.10 172.97 1srj s THR 71 N -2.54 4.44 0.29 0.90 2.01 0.08 -4.89 115.64 115.94 1srj s THR 71 Ca 0.66 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1srj s THR 71 Cb -0.22 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 1srj s THR 71 CO 0.51 0.09 1.32 0.00 -0.69 0.00 0.00 174.62 175.85 1srj s ALA 72 N 1.59 3.52 0.30 7.40 0.00 -1.26 -0.61 121.76 132.70 1srj s ALA 72 Ca 0.04 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 1srj s ALA 72 Cb -0.17 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1srj s ALA 72 CO 0.05 -0.61 0.72 -0.48 0.00 0.00 0.00 175.76 175.44 1srj s LEU 73 N -1.22 -0.16 -0.10 0.00 2.34 -0.57 -1.40 118.68 117.58 1srj s LEU 73 Ca 0.52 -0.76 -0.30 0.00 0.06 0.00 0.00 54.13 53.65 1srj s LEU 73 Cb -0.39 2.70 0.12 0.00 -0.56 0.00 0.00 46.19 48.06 1srj s LEU 73 CO 0.48 -1.42 0.98 -0.83 -1.06 0.00 0.00 176.35 174.49 1srj s GLY 74 N -2.96 -0.35 0.14 -3.48 0.00 -0.74 -1.92 107.32 98.01 1srj s GLY 74 Ca 0.13 1.54 -0.14 0.00 0.00 0.00 0.00 44.72 46.25 1srj s GLY 74 CO 0.08 0.67 0.38 0.66 0.00 0.00 0.00 173.10 174.90 1srj s TRP 75 N -2.14 -0.04 0.05 1.90 -2.14 -0.79 -1.82 118.94 113.96 1srj s TRP 75 Ca 0.03 -0.31 0.05 0.00 2.66 0.00 0.00 56.10 58.53 1srj s TRP 75 Cb -0.01 0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 30.54 1srj s TRP 75 CO -0.04 -0.74 -0.15 0.99 -2.66 0.00 0.00 176.95 174.35 1srj s THR 76 N -3.85 1.21 -0.08 0.66 2.01 -0.10 -0.87 115.64 114.61 1srj s THR 76 Ca 0.07 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1srj s THR 76 Cb 0.02 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1srj s THR 76 CO -0.08 -0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.07 1srj s VAL 77 N -0.93 0.96 -0.28 3.82 1.01 -0.47 -2.42 120.40 122.09 1srj s VAL 77 Ca 0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1srj s VAL 77 Cb -0.08 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1srj s VAL 77 CO 0.02 0.34 0.18 0.00 0.00 0.00 0.00 175.10 175.63 1srj s ALA 78 N 1.21 3.50 -1.12 5.51 0.00 -1.26 -0.19 121.76 129.41 1srj s ALA 78 Ca -0.05 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 1srj s ALA 78 Cb -0.14 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.45 1srj s ALA 78 CO -0.02 -0.57 2.22 0.91 0.00 0.00 0.00 175.76 178.30 1srj n TRP 79 N 5.05 2.21 -3.71 0.00 7.02 -0.34 -4.77 117.44 122.89 1srj n TRP 79 Ca -0.14 -2.34 -0.12 0.00 -1.02 0.00 0.00 57.50 53.88 1srj n TRP 79 Cb 0.52 -2.03 -0.13 0.00 -2.42 0.00 0.00 31.31 27.25 1srj n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1srj s LYS 80 N 3.66 0.23 0.00 -0.99 2.47 -1.26 -1.44 119.74 122.41 1srj s LYS 80 Ca 0.52 0.60 0.00 0.00 -1.56 0.00 0.00 55.97 55.53 1srj s LYS 80 Cb 0.14 -0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.42 1srj s LYS 80 CO -0.00 -0.18 0.00 0.27 0.16 0.00 0.00 175.35 175.60 1srj n ASN 81 N 4.39 0.00 0.01 1.43 0.23 -0.50 -4.79 115.26 116.03 1srj n ASN 81 Ca -0.23 -0.82 0.09 0.00 -0.53 0.00 0.00 54.58 53.09 1srj n ASN 81 Cb 0.53 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.61 1srj n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1srj n ASN 82 N -2.45 0.05 -0.06 0.53 5.03 -1.26 -3.54 115.26 113.56 1srj n ASN 82 Ca 0.00 0.51 -0.06 0.00 0.87 0.00 0.00 54.58 55.90 1srj n ASN 82 Cb 0.00 -0.52 -0.09 0.00 -1.02 0.00 0.00 39.78 38.14 1srj n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1srj n TYR 83 N -1.56 0.00 -3.84 3.10 4.01 -1.26 -5.08 117.16 112.53 1srj n TYR 83 Ca 0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 1srj n TYR 83 Cb 0.21 -0.58 -0.05 0.00 -0.31 0.00 0.00 39.34 38.61 1srj n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1srj s ARG 84 N -2.28 1.26 -0.14 -0.72 1.70 -1.23 -5.10 118.95 112.44 1srj s ARG 84 Ca -0.06 -1.01 -0.04 0.00 -0.47 0.00 0.00 55.73 54.15 1srj s ARG 84 Cb 0.04 0.45 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 1srj s ARG 84 CO 0.48 -0.50 0.21 1.21 -1.08 0.00 0.00 175.30 175.62 1srj s ASN 85 N -2.92 0.85 0.00 -2.89 3.84 -1.26 -1.40 114.94 111.16 1srj s ASN 85 Ca 0.13 0.22 0.20 0.00 0.21 0.00 0.00 52.86 53.62 1srj s ASN 85 Cb 0.01 0.43 0.18 0.00 -0.55 0.00 0.00 41.25 41.33 1srj s ASN 85 CO -0.02 -0.27 1.16 0.00 -2.79 0.00 0.00 177.10 175.18 1srj n ALA 86 N 5.33 2.46 -3.55 1.71 0.00 -0.52 -4.98 120.51 120.96 1srj n ALA 86 Ca -0.05 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.50 1srj n ALA 86 Cb 0.50 -0.70 0.06 0.00 0.00 0.00 0.00 19.45 19.31 1srj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1srj n HIS 87 N 1.16 -2.07 -3.70 0.00 8.25 -1.26 -4.81 115.22 112.79 1srj n HIS 87 Ca 0.12 0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 58.36 1srj n HIS 87 Cb 0.51 -4.69 -0.05 0.00 1.12 0.00 0.00 29.99 26.89 1srj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1srj s SER 88 N -4.29 -0.21 -0.01 0.41 1.04 -1.26 -0.94 113.70 108.43 1srj s SER 88 Ca 0.03 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 1srj s SER 88 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1srj s SER 88 CO 0.77 -0.92 0.09 0.00 0.98 0.00 0.00 173.24 174.17 1srj s ALA 89 N -3.84 -0.22 -0.01 5.32 0.00 -0.36 -1.20 121.76 121.45 1srj s ALA 89 Ca 0.06 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.05 1srj s ALA 89 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1srj s ALA 89 CO -0.08 -0.14 -0.25 0.99 0.00 0.00 0.00 175.76 176.28 1srj s THR 90 N -0.83 2.00 -0.09 0.00 2.01 0.74 -1.06 115.64 118.41 1srj s THR 90 Ca -0.09 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 60.83 1srj s THR 90 Cb -0.05 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.79 1srj s THR 90 CO 0.00 0.52 -0.21 0.42 -0.69 0.00 0.00 174.62 174.66 1srj s THR 91 N -0.63 1.85 -0.14 -0.82 -4.23 -0.48 -1.37 115.64 109.83 1srj s THR 91 Ca 0.10 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1srj s THR 91 Cb -0.10 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 1srj s THR 91 CO -0.00 0.51 -0.03 0.26 -0.54 0.00 0.00 174.62 174.82 1srj s TRP 92 N 0.34 3.04 -0.05 3.99 0.51 -0.05 -1.78 118.94 124.94 1srj s TRP 92 Ca -0.16 -0.19 0.04 0.00 -2.12 0.00 0.00 56.10 53.67 1srj s TRP 92 Cb -0.17 -1.92 0.00 0.00 -0.81 0.00 0.00 33.47 30.58 1srj s TRP 92 CO 0.07 0.07 -0.15 0.45 -0.51 0.00 0.00 176.95 176.88 1srj s SER 93 N 0.09 2.02 0.00 2.95 0.15 -0.06 -1.88 113.70 116.96 1srj s SER 93 Ca -0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1srj s SER 93 Cb -0.13 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1srj s SER 93 CO 0.03 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1srj n GLY 94 N 3.34 -0.66 3.01 9.45 0.00 -0.81 -0.83 105.19 118.70 1srj n GLY 94 Ca -0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1srj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1srj s GLN 95 N -0.23 0.38 -0.15 1.61 -2.07 -0.89 -1.51 119.66 116.80 1srj s GLN 95 Ca 0.00 -0.72 -0.13 0.00 -1.82 0.00 0.00 55.36 52.69 1srj s GLN 95 Cb 0.00 0.07 -0.05 0.00 -1.09 0.00 0.00 33.01 31.95 1srj s GLN 95 CO 0.00 -0.05 0.26 -0.47 -1.32 0.00 0.00 175.29 173.71 1srj s TYR 96 N -1.83 3.48 -0.21 9.60 5.04 0.22 -1.54 117.35 132.12 1srj s TYR 96 Ca -0.12 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1srj s TYR 96 Cb -0.07 -2.27 0.05 0.00 0.35 0.00 0.00 41.96 40.02 1srj s TYR 96 CO -0.02 0.32 -0.05 0.08 -1.34 0.00 0.00 175.55 174.53 1srj s VAL 97 N 0.21 1.36 0.90 3.14 1.01 -0.19 -0.74 120.40 126.10 1srj s VAL 97 Ca 0.15 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1srj s VAL 97 Cb -0.13 -1.60 0.21 0.00 0.00 0.00 0.00 36.38 34.86 1srj s VAL 97 CO 0.03 -0.01 1.23 0.61 0.00 0.00 0.00 175.10 176.96 1srj n GLY 98 N 4.75 -1.38 0.00 4.51 0.00 -1.26 -1.51 105.19 110.30 1srj n GLY 98 Ca -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1srj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1srj n GLY 99 N -3.07 0.31 0.19 -0.02 0.00 -1.26 -4.70 105.19 96.64 1srj n GLY 99 Ca 0.16 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 1srj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srj h ALA 100 N 0.00 -0.99 -2.45 4.61 0.00 -2.06 -3.32 119.26 115.04 1srj h ALA 100 Ca 0.00 -0.10 -0.79 0.00 0.00 0.00 0.00 54.91 54.02 1srj h ALA 100 Cb 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 17.79 17.71 1srj h ALA 100 CO 0.00 -0.95 0.56 -1.83 0.00 0.00 0.00 179.25 177.03 1srj s GLU 101 N -3.78 4.18 0.26 0.00 -1.05 -1.26 -5.02 118.70 112.02 1srj s GLU 101 Ca -0.07 -3.12 -0.30 0.00 -0.15 0.00 0.00 54.97 51.33 1srj s GLU 101 Cb 0.01 -4.62 -0.10 0.00 -0.44 0.00 0.00 34.13 28.97 1srj s GLU 101 CO 0.21 -1.31 1.49 0.00 0.95 0.00 0.00 175.26 176.60 1srj s ALA 102 N -0.85 3.67 0.08 -0.84 0.00 -1.25 -4.89 121.76 117.68 1srj s ALA 102 Ca 0.32 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 1srj s ALA 102 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1srj s ALA 102 CO -0.07 -0.81 0.22 1.03 0.00 0.00 0.00 175.76 176.12 1srj s ARG 103 N -0.31 0.83 -0.21 0.00 1.81 -0.57 -3.67 118.95 116.84 1srj s ARG 103 Ca 0.61 -0.84 0.01 0.00 -1.72 0.00 0.00 55.73 53.79 1srj s ARG 103 Cb -0.44 0.34 0.04 0.00 -0.45 0.00 0.00 34.95 34.45 1srj s ARG 103 CO 0.44 -0.27 -0.13 0.42 -0.68 0.00 0.00 175.30 175.08 1srj s ILE 104 N -3.53 1.89 -0.27 1.52 1.01 -0.61 -1.02 121.20 120.20 1srj s ILE 104 Ca 0.02 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.39 1srj s ILE 104 Cb 0.03 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1srj s ILE 104 CO -0.09 0.23 0.30 0.20 0.00 0.00 0.00 174.94 175.58 1srj s ASN 105 N 1.29 6.18 0.25 3.58 0.01 -0.59 -0.67 114.94 124.99 1srj s ASN 105 Ca -0.01 0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.36 1srj s ASN 105 Cb -0.16 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1srj s ASN 105 CO -0.09 -0.12 0.06 0.42 -1.51 0.00 0.00 177.10 175.86 1srj s THR 106 N 1.86 0.74 0.02 1.60 -4.23 0.26 -2.10 115.64 113.80 1srj s THR 106 Ca 0.12 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1srj s THR 106 Cb -0.16 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1srj s THR 106 CO 0.10 -0.14 -0.19 -1.10 -0.54 0.00 0.00 174.62 172.75 1srj s GLN 107 N -3.97 1.34 0.09 3.99 -0.21 -0.01 -2.51 119.66 118.39 1srj s GLN 107 Ca 0.34 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.94 1srj s GLN 107 Cb 0.07 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 1srj s GLN 107 CO 0.11 0.36 -0.07 1.67 -2.12 0.00 0.00 175.29 175.25 1srj s TRP 108 N -0.65 0.86 -0.08 0.91 1.48 -0.27 -0.88 118.94 120.31 1srj s TRP 108 Ca 0.06 -0.88 0.02 0.00 -1.06 0.00 0.00 56.10 54.24 1srj s TRP 108 Cb -0.08 -0.50 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 1srj s TRP 108 CO 0.01 -0.15 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.12 1srj s LEU 109 N -2.89 1.56 -0.24 -4.66 1.43 -0.73 -1.60 118.68 111.56 1srj s LEU 109 Ca 0.09 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1srj s LEU 109 Cb 0.04 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.43 1srj s LEU 109 CO -0.04 0.00 -0.06 -0.22 0.23 0.00 0.00 176.35 176.25 1srj s LEU 110 N 0.90 3.14 -0.10 1.79 2.96 -0.07 -1.38 118.68 125.92 1srj s LEU 110 Ca -0.10 -0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 52.97 1srj s LEU 110 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1srj s LEU 110 CO 0.01 -0.12 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.99 1srj s THR 111 N 1.33 3.90 0.02 3.68 2.01 -0.22 -1.09 115.64 125.28 1srj s THR 111 Ca 0.01 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1srj s THR 111 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1srj s THR 111 CO -0.05 0.57 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.95 1srj s SER 112 N -0.47 4.67 0.12 3.53 0.01 -0.88 -1.22 113.70 119.46 1srj s SER 112 Ca 0.07 -0.17 -0.31 0.00 1.31 0.00 0.00 55.95 56.86 1srj s SER 112 Cb -0.12 -1.08 -0.08 0.00 0.21 0.00 0.00 66.02 64.95 1srj s SER 112 CO 0.02 0.26 1.35 -0.83 0.41 0.00 0.00 173.24 174.45 1srj s GLY 113 N -1.59 2.12 0.25 3.44 0.00 -0.12 -4.88 107.32 106.54 1srj s GLY 113 Ca 0.18 1.08 0.02 0.00 0.00 0.00 0.00 44.72 46.00 1srj s GLY 113 CO 0.09 2.25 0.19 -0.51 0.00 0.00 0.00 173.10 175.13 1srj s THR 114 N 0.92 0.00 0.71 0.90 -4.23 -1.26 -5.02 115.64 107.65 1srj s THR 114 Ca 0.62 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.04 1srj s THR 114 Cb -0.36 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1srj s THR 114 CO 0.31 0.00 1.07 0.42 -0.54 0.00 0.00 174.62 175.89 1srj s THR 115 N -3.88 3.04 0.47 3.99 -4.23 -1.26 -4.87 115.64 108.89 1srj s THR 115 Ca 0.40 0.20 0.24 0.00 -1.18 0.00 0.00 61.69 61.34 1srj s THR 115 Cb 0.05 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.86 1srj s THR 115 CO 0.18 -0.38 2.09 -0.33 -0.54 0.00 0.00 174.62 175.64 1srj h GLU 116 N -0.66 0.00 -0.17 3.99 5.08 -2.01 -2.18 114.58 118.64 1srj h GLU 116 Ca -0.45 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 1srj h GLU 116 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1srj h GLU 116 CO 0.63 0.11 -0.57 0.00 -1.00 0.00 0.00 179.01 178.18 1srj h ALA 117 N 1.89 0.69 -0.01 3.43 0.00 -2.07 -3.20 119.26 120.00 1srj h ALA 117 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1srj h ALA 117 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1srj h ALA 117 CO 0.01 0.70 -0.41 0.09 0.00 0.00 0.00 179.25 179.64 1srj n ASN 118 N -3.94 1.10 -0.30 0.00 3.02 -1.03 -4.48 115.26 109.62 1srj n ASN 118 Ca -0.03 -0.88 0.21 0.00 -0.03 0.00 0.00 54.58 53.85 1srj n ASN 118 Cb 0.62 0.29 0.50 0.00 -0.61 0.00 0.00 39.78 40.58 1srj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1srj h ALA 119 N 3.52 2.21 -0.31 5.41 0.00 -1.40 -1.44 119.26 127.26 1srj h ALA 119 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1srj h ALA 119 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1srj h ALA 119 CO 0.00 -0.58 0.23 0.11 0.00 0.00 0.00 179.25 179.01 1srj h TRP 120 N 0.41 0.00 -1.09 0.00 5.08 -1.82 -1.98 115.95 116.56 1srj h TRP 120 Ca 0.56 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.94 1srj h TRP 120 Cb 1.39 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 27.15 1srj h TRP 120 CO -0.00 0.00 -0.54 0.36 -1.28 0.00 0.00 178.44 176.98 1srj n LYS 121 N -4.33 3.43 0.00 0.12 0.00 -0.54 -4.73 118.16 112.10 1srj n LYS 121 Ca 0.04 -4.17 0.12 0.00 -0.00 0.00 0.00 58.31 54.30 1srj n LYS 121 Cb 0.40 -2.27 0.17 0.00 -0.00 0.00 0.00 35.03 33.33 1srj n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1srj n SER 122 N -0.64 1.02 -4.06 -5.58 3.41 -0.75 -4.93 113.62 102.09 1srj n SER 122 Ca 0.45 -0.82 -0.27 0.00 -0.26 0.00 0.00 58.87 57.97 1srj n SER 122 Cb 0.80 0.41 -0.17 0.00 -0.26 0.00 0.00 64.21 65.00 1srj n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1srj s THR 123 N -2.76 1.38 0.15 6.66 2.01 -1.26 -2.07 115.64 119.75 1srj s THR 123 Ca 0.16 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1srj s THR 123 Cb 0.18 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1srj s THR 123 CO 0.66 0.41 0.30 -0.76 -0.69 0.00 0.00 174.62 174.55 1srj s LEU 124 N 0.70 4.31 0.01 4.42 1.43 -0.25 -4.93 118.68 124.38 1srj s LEU 124 Ca -0.13 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1srj s LEU 124 Cb -0.16 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1srj s LEU 124 CO 0.03 0.04 -0.15 0.54 0.23 0.00 0.00 176.35 177.05 1srj s VAL 125 N -1.74 1.16 0.00 -1.59 0.11 -1.26 -0.89 120.40 116.19 1srj s VAL 125 Ca 0.36 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1srj s VAL 125 Cb -0.11 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1srj s VAL 125 CO 0.28 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1srj n GLY 126 N 2.32 1.97 3.07 6.54 0.00 -0.62 -4.99 105.19 113.48 1srj n GLY 126 Ca -0.16 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1srj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1srj s HIS 127 N -7.64 -0.20 0.00 1.61 -3.43 -1.26 -1.11 115.29 103.26 1srj s HIS 127 Ca 0.00 0.49 0.04 0.00 -0.80 0.00 0.00 55.06 54.79 1srj s HIS 127 Cb 0.00 0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1srj s HIS 127 CO 0.00 -0.11 -0.12 -0.51 -2.00 0.00 0.00 174.74 172.01 1srj s ASP 128 N 0.06 1.40 -0.15 7.38 1.01 -1.05 -4.99 116.67 120.34 1srj s ASP 128 Ca -0.00 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.00 1srj s ASP 128 Cb -0.01 -0.13 0.01 0.00 1.01 0.00 0.00 42.92 43.80 1srj s ASP 128 CO 0.00 0.10 -0.21 -0.89 0.21 0.00 0.00 175.17 174.39 1srj s THR 129 N -0.44 2.01 -0.11 -1.27 2.01 -1.26 -0.57 115.64 116.00 1srj s THR 129 Ca 0.03 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1srj s THR 129 Cb -0.05 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1srj s THR 129 CO -0.00 0.54 0.01 -0.36 -0.69 0.00 0.00 174.62 174.12 1srj s PHE 130 N 0.97 3.19 -0.03 4.92 0.08 0.16 -3.31 117.98 123.95 1srj s PHE 130 Ca -0.03 0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.22 1srj s PHE 130 Cb -0.15 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1srj s PHE 130 CO -0.05 0.39 -0.23 0.95 -0.10 0.00 0.00 175.22 176.18 1srj s THR 131 N -0.59 1.84 -0.06 0.64 -4.23 0.48 -1.57 115.64 112.15 1srj s THR 131 Ca 0.10 -0.97 -0.23 0.00 -1.18 0.00 0.00 61.69 59.41 1srj s THR 131 Cb -0.12 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1srj s THR 131 CO 0.02 0.52 0.68 -0.75 -0.54 0.00 0.00 174.62 174.55 1srj s LYS 132 N -0.34 4.42 0.00 3.99 2.20 -1.24 -1.33 119.74 127.44 1srj s LYS 132 Ca 0.03 0.84 0.22 0.00 -0.36 0.00 0.00 55.97 56.71 1srj s LYS 132 Cb -0.11 -3.44 1.34 0.00 -1.51 0.00 0.00 37.83 34.11 1srj s LYS 132 CO 0.01 0.10 1.71 0.28 -0.36 0.00 0.00 175.35 177.09