#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtj n GLU 14 N 0.00 0.00 0.15 0.00 2.13 -1.26 0.14 120.64 121.80 2rtj n GLU 14 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2rtj n GLU 14 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2rtj n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rtj h ALA 15 N 0.00 -0.31 -0.60 4.31 0.00 -1.94 -1.23 119.26 119.48 2rtj h ALA 15 Ca 0.00 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2rtj h ALA 15 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2rtj h ALA 15 CO 0.00 -0.66 0.52 0.78 0.00 0.00 0.00 179.25 179.88 2rtj h GLY 16 N -0.34 0.00 1.10 0.00 0.00 0.72 -1.79 103.07 102.76 2rtj h GLY 16 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.97 2rtj h GLY 16 CO 0.05 0.00 -1.63 -2.22 0.00 0.00 0.00 176.54 172.74 2rtj h ILE 17 N 0.00 1.06 -2.98 2.60 2.04 -1.41 -3.46 117.51 115.35 2rtj h ILE 17 Ca 0.29 -2.67 -0.56 0.00 1.00 0.00 0.00 64.86 62.91 2rtj h ILE 17 Cb 1.32 2.76 0.09 0.00 -0.74 0.00 0.00 36.82 40.25 2rtj h ILE 17 CO -0.00 0.83 0.71 0.41 0.00 0.00 0.00 178.15 180.10 2rtj n THR 18 N -3.51 1.08 0.00 -0.27 -1.04 -0.54 -4.79 114.28 105.21 2rtj n THR 18 Ca -0.20 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2rtj n THR 18 Cb 1.06 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2rtj n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtj n GLY 19 N 2.03 0.95 3.67 3.41 0.00 0.10 -4.99 105.19 110.36 2rtj n GLY 19 Ca 0.10 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 2rtj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtj s THR 20 N -2.18 4.75 0.12 2.61 2.01 -1.26 -1.38 115.64 120.31 2rtj s THR 20 Ca 0.00 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.00 2rtj s THR 20 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2rtj s THR 20 CO 0.00 0.52 -0.15 0.26 -0.69 0.00 0.00 174.62 174.55 2rtj s TRP 21 N -0.11 1.46 0.05 4.92 0.52 0.22 -4.60 118.94 121.40 2rtj s TRP 21 Ca 0.07 -0.51 0.05 0.00 0.02 0.00 0.00 56.10 55.73 2rtj s TRP 21 Cb -0.12 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.40 2rtj s TRP 21 CO 0.01 0.16 -0.15 0.71 0.02 0.00 0.00 176.95 177.70 2rtj s TYR 22 N -1.87 1.30 0.52 -1.98 2.02 0.19 -1.05 117.35 116.47 2rtj s TYR 22 Ca 0.08 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2rtj s TYR 22 Cb -0.06 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.74 2rtj s TYR 22 CO 0.03 0.05 0.08 0.54 -1.57 0.00 0.00 175.55 174.69 2rtj s ASN 23 N -1.34 4.23 0.55 2.29 2.20 -0.98 -0.47 114.94 121.41 2rtj s ASN 23 Ca 0.01 -1.58 0.37 0.00 -0.94 0.00 0.00 52.86 50.73 2rtj s ASN 23 Cb -0.09 0.50 1.99 0.00 -2.00 0.00 0.00 41.25 41.65 2rtj s ASN 23 CO 0.02 -0.90 2.13 0.06 -2.94 0.00 0.00 177.10 175.47 2rtj h GLN 24 N 1.24 0.00 -0.02 3.55 -0.00 -1.90 -0.81 115.11 117.17 2rtj h GLN 24 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2rtj h GLN 24 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2rtj h GLN 24 CO 0.71 0.00 -0.22 1.28 -0.00 0.00 0.00 178.83 180.60 2rtj n LEU 25 N -2.81 2.12 0.00 0.06 4.77 -1.26 -4.94 117.00 114.95 2rtj n LEU 25 Ca -0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2rtj n LEU 25 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2rtj n LEU 25 CO 0.17 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2rtj n GLY 26 N 1.35 0.75 3.87 -0.72 0.00 -0.31 -4.61 105.19 105.52 2rtj n GLY 26 Ca 0.13 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2rtj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtj s SER 27 N -2.13 6.28 0.00 1.61 0.01 -1.26 -4.48 113.70 113.73 2rtj s SER 27 Ca 0.00 1.35 0.04 0.00 1.31 0.00 0.00 55.95 58.65 2rtj s SER 27 Cb 0.00 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 2rtj s SER 27 CO 0.00 -0.79 -0.12 -0.89 0.41 0.00 0.00 173.24 171.85 2rtj s THR 28 N -3.05 0.94 -0.02 1.44 2.01 -0.26 -2.31 115.64 114.39 2rtj s THR 28 Ca 0.54 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 2rtj s THR 28 Cb -0.11 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2rtj s THR 28 CO 0.50 0.18 0.06 0.72 -0.69 0.00 0.00 174.62 175.39 2rtj s PHE 29 N -0.44 -0.05 -0.13 4.92 -0.12 -0.22 -1.03 117.98 120.92 2rtj s PHE 29 Ca 0.03 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.09 2rtj s PHE 29 Cb -0.05 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2rtj s PHE 29 CO -0.00 -0.05 -0.15 0.42 -0.05 0.00 0.00 175.22 175.39 2rtj s ILE 30 N 0.33 2.85 0.05 -4.49 1.09 -0.39 -0.61 121.20 120.02 2rtj s ILE 30 Ca -0.03 -0.73 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 2rtj s ILE 30 Cb -0.04 -2.18 -0.03 0.00 -1.06 0.00 0.00 42.46 39.15 2rtj s ILE 30 CO -0.01 0.53 -0.05 0.54 -0.10 0.00 0.00 174.94 175.84 2rtj s VAL 31 N 0.44 0.36 -0.12 2.92 0.11 -0.48 -1.37 120.40 122.26 2rtj s VAL 31 Ca -0.11 -1.33 0.01 0.00 -2.93 0.00 0.00 61.98 57.62 2rtj s VAL 31 Cb -0.16 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2rtj s VAL 31 CO 0.05 -0.63 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.16 2rtj s THR 32 N -2.33 1.49 -0.34 5.04 2.01 -0.42 -0.72 115.64 120.37 2rtj s THR 32 Ca -0.05 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 2rtj s THR 32 Cb -0.04 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2rtj s THR 32 CO -0.03 0.44 0.23 0.00 -0.69 0.00 0.00 174.62 174.57 2rtj s ALA 33 N 1.22 3.43 0.48 7.40 0.00 -1.26 -2.06 121.76 130.97 2rtj s ALA 33 Ca -0.01 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 2rtj s ALA 33 Cb -0.14 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 2rtj s ALA 33 CO -0.05 -1.05 0.86 0.20 0.00 0.00 0.00 175.76 175.72 2rtj s GLY 34 N 1.68 1.86 0.31 0.00 0.00 0.10 -4.72 107.32 106.55 2rtj s GLY 34 Ca 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.68 2rtj s GLY 34 CO 0.09 0.08 1.58 0.00 0.00 0.00 0.00 173.10 174.85 2rtj h ALA 35 N 0.77 1.31 -1.00 3.20 0.00 -1.97 -2.57 119.26 119.00 2rtj h ALA 35 Ca -0.47 0.32 -0.71 0.00 0.00 0.00 0.00 54.91 54.06 2rtj h ALA 35 Cb 1.19 0.54 -0.29 0.00 0.00 0.00 0.00 17.79 19.23 2rtj h ALA 35 CO 0.63 -0.61 0.92 -0.25 0.00 0.00 0.00 179.25 179.93 2rtj n ASP 36 N -5.44 7.63 0.00 0.00 8.00 -1.26 -4.87 116.55 120.62 2rtj n ASP 36 Ca 0.25 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.94 2rtj n ASP 36 Cb 0.82 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2rtj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rtj n GLY 37 N -0.80 0.66 3.87 0.44 0.00 -0.97 -4.96 105.19 103.43 2rtj n GLY 37 Ca 0.60 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.30 2rtj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtj s ALA 38 N -2.48 3.46 -0.06 4.61 0.00 -1.24 -0.99 121.76 125.05 2rtj s ALA 38 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2rtj s ALA 38 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2rtj s ALA 38 CO 0.00 0.40 -0.12 -0.51 0.00 0.00 0.00 175.76 175.53 2rtj s LEU 39 N -2.98 1.64 0.02 0.00 1.43 -0.16 -0.72 118.68 117.91 2rtj s LEU 39 Ca 0.50 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2rtj s LEU 39 Cb -0.11 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 2rtj s LEU 39 CO 0.21 0.03 -0.04 0.42 0.23 0.00 0.00 176.35 177.20 2rtj s THR 40 N 0.64 0.19 -3.17 5.49 -4.23 -0.88 -1.30 115.64 112.38 2rtj s THR 40 Ca -0.14 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2rtj s THR 40 Cb -0.15 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.38 2rtj s THR 40 CO 0.03 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 2rtj n GLY 41 N 1.71 -0.53 3.10 3.99 0.00 -0.96 -1.30 105.19 111.20 2rtj n GLY 41 Ca -0.23 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2rtj n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtj s THR 42 N -3.20 0.52 -0.03 2.61 -4.23 -0.47 -1.73 115.64 109.10 2rtj s THR 42 Ca 0.00 -1.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2rtj s THR 42 Cb 0.00 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2rtj s THR 42 CO 0.00 -0.67 -0.12 -0.47 -0.54 0.00 0.00 174.62 172.81 2rtj s TYR 43 N -2.62 1.27 -0.15 3.99 6.14 0.42 -1.26 117.35 125.14 2rtj s TYR 43 Ca 0.00 -0.34 0.00 0.00 0.64 0.00 0.00 57.07 57.38 2rtj s TYR 43 Cb -0.01 -0.88 0.02 0.00 0.42 0.00 0.00 41.96 41.51 2rtj s TYR 43 CO -0.03 -0.12 -0.14 -1.83 0.64 0.00 0.00 175.55 174.06 2rtj s GLU 44 N 0.12 2.31 -0.09 4.97 1.03 -0.19 -0.67 118.70 126.18 2rtj s GLU 44 Ca -0.03 -0.56 -0.14 0.00 0.03 0.00 0.00 54.97 54.27 2rtj s GLU 44 Cb -0.10 -2.11 -0.05 0.00 -0.80 0.00 0.00 34.13 31.07 2rtj s GLU 44 CO 0.01 -0.24 0.33 0.45 -1.33 0.00 0.00 175.26 174.49 2rtj s SER 45 N 1.48 6.59 0.03 0.83 0.15 -1.26 -1.10 113.70 120.43 2rtj s SER 45 Ca 0.05 0.70 0.26 0.00 0.70 0.00 0.00 55.95 57.66 2rtj s SER 45 Cb -0.13 -2.20 0.71 0.00 -1.71 0.00 0.00 66.02 62.69 2rtj s SER 45 CO -0.11 0.21 1.57 0.00 1.20 0.00 0.00 173.24 176.12 2rtj n ALA 46 N 2.72 3.00 -2.21 5.45 0.00 -1.26 -4.82 120.51 123.40 2rtj n ALA 46 Ca -0.13 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 2rtj n ALA 46 Cb 0.52 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 2rtj n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2rtj s VAL 47 N -3.03 0.91 0.00 0.00 -7.23 -1.26 -5.01 120.40 104.77 2rtj s VAL 47 Ca 0.11 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2rtj s VAL 47 Cb 0.17 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.33 2rtj s VAL 47 CO 0.65 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 2rtj n GLY 48 N -0.12 -1.68 2.78 2.32 0.00 -1.26 -4.48 105.19 102.74 2rtj n GLY 48 Ca -0.11 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2rtj n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtj n ASN 49 N 0.02 6.70 -3.80 1.61 5.15 -1.26 -4.85 115.26 118.83 2rtj n ASN 49 Ca 0.00 -3.37 -0.13 0.00 -0.60 0.00 0.00 54.58 50.47 2rtj n ASN 49 Cb 0.00 -1.31 -0.14 0.00 -0.53 0.00 0.00 39.78 37.80 2rtj n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtj s ALA 50 N -2.22 -0.12 -0.10 5.20 0.00 -1.26 -4.56 121.76 118.69 2rtj s ALA 50 Ca 0.39 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 2rtj s ALA 50 Cb 0.12 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.05 2rtj s ALA 50 CO -0.01 -0.09 0.21 -2.00 0.00 0.00 0.00 175.76 173.87 2rtj s GLU 51 N 0.64 0.11 2.28 0.00 2.12 -1.26 -4.91 118.70 117.67 2rtj s GLU 51 Ca -0.05 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.88 2rtj s GLU 51 Cb -0.07 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.17 2rtj s GLU 51 CO -0.02 -0.26 0.00 0.45 -0.54 0.00 0.00 175.26 174.89 2rtj n SER 52 N 5.00 0.00 -4.81 -1.70 2.88 -1.26 -4.70 113.62 109.03 2rtj n SER 52 Ca -0.12 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.09 2rtj n SER 52 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 2rtj n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rtj s ARG 53 N 0.00 3.15 0.08 -1.46 0.52 -1.26 -4.22 118.95 115.76 2rtj s ARG 53 Ca 0.00 -0.45 0.08 0.00 -0.52 0.00 0.00 55.73 54.84 2rtj s ARG 53 Cb 0.00 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 2rtj s ARG 53 CO 0.00 0.65 -0.21 0.71 0.02 0.00 0.00 175.30 176.47 2rtj s TYR 54 N -1.23 1.82 0.32 -0.53 1.51 0.16 -4.86 117.35 114.54 2rtj s TYR 54 Ca 0.24 -0.40 -0.27 0.00 -1.01 0.00 0.00 57.07 55.62 2rtj s TYR 54 Cb -0.12 -1.03 -0.09 0.00 -0.11 0.00 0.00 41.96 40.61 2rtj s TYR 54 CO 0.15 0.17 1.08 0.08 -1.11 0.00 0.00 175.55 175.92 2rtj s VAL 55 N -1.03 3.58 0.05 0.71 1.01 -1.26 -0.44 120.40 123.03 2rtj s VAL 55 Ca 0.07 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.54 2rtj s VAL 55 Cb -0.10 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2rtj s VAL 55 CO 0.03 0.24 -0.11 -1.48 0.00 0.00 0.00 175.10 173.78 2rtj s LEU 56 N -1.87 2.25 -0.02 3.92 0.05 -0.71 -4.32 118.68 117.98 2rtj s LEU 56 Ca 0.49 -0.55 -0.09 0.00 0.05 0.00 0.00 54.13 54.03 2rtj s LEU 56 Cb -0.28 -0.37 0.01 0.00 -2.05 0.00 0.00 46.19 43.50 2rtj s LEU 56 CO 0.36 -0.11 0.18 0.28 -0.55 0.00 0.00 176.35 176.51 2rtj s THR 57 N -1.23 0.06 0.00 5.48 -1.32 -1.09 -2.26 115.64 115.29 2rtj s THR 57 Ca -0.05 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2rtj s THR 57 Cb -0.09 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 2rtj s THR 57 CO 0.01 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 2rtj n GLY 58 N 1.74 1.31 3.12 6.08 0.00 -0.42 -1.01 105.19 116.00 2rtj n GLY 58 Ca -0.20 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 2rtj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtj s ARG 59 N -1.08 0.62 0.18 1.61 1.81 -0.60 -0.99 118.95 120.50 2rtj s ARG 59 Ca 0.00 -0.88 -0.05 0.00 -1.72 0.00 0.00 55.73 53.08 2rtj s ARG 59 Cb 0.00 0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.71 2rtj s ARG 59 CO 0.00 -0.15 0.21 1.52 -0.68 0.00 0.00 175.30 176.20 2rtj s TYR 60 N -3.05 0.75 -0.51 -0.53 1.13 -0.17 -1.54 117.35 113.44 2rtj s TYR 60 Ca -0.01 -1.07 -0.25 0.00 -1.41 0.00 0.00 57.07 54.32 2rtj s TYR 60 Cb 0.01 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 2rtj s TYR 60 CO -0.07 -0.69 0.95 0.34 -2.51 0.00 0.00 175.55 173.58 2rtj s ASP 61 N -3.06 6.43 0.00 -0.18 3.68 -0.71 -4.50 116.67 118.33 2rtj s ASP 61 Ca 0.27 -0.08 0.30 0.00 2.13 0.00 0.00 52.55 55.17 2rtj s ASP 61 Cb 0.05 -2.45 1.74 0.00 -1.45 0.00 0.00 42.92 40.80 2rtj s ASP 61 CO 0.06 -1.16 2.12 -1.54 0.13 0.00 0.00 175.17 174.78 2rtj n SER 62 N 7.40 0.00 -3.27 -0.34 3.41 -1.26 -3.67 113.62 115.89 2rtj n SER 62 Ca 0.05 -0.74 -0.25 0.00 -0.26 0.00 0.00 58.87 57.66 2rtj n SER 62 Cb 0.48 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2rtj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rtj n ALA 63 N -1.07 2.80 -1.08 7.33 0.00 -1.26 -5.00 120.51 122.23 2rtj n ALA 63 Ca 0.21 -3.66 -0.29 0.00 0.00 0.00 0.00 53.44 49.70 2rtj n ALA 63 Cb 0.14 -0.83 0.20 0.00 0.00 0.00 0.00 19.45 18.96 2rtj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rtj s PRO 64 N -1.31 -0.18 0.65 0.00 0.04 -1.24 -5.03 135.00 127.93 2rtj s PRO 64 Ca 0.35 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 2rtj s PRO 64 Cb 0.15 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.99 2rtj s PRO 64 CO -0.10 -3.11 1.05 0.00 0.04 0.00 0.00 177.00 174.87 2rtj s ALA 65 N -2.92 2.97 -0.57 8.56 0.00 -1.26 -4.96 121.76 123.57 2rtj s ALA 65 Ca 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2rtj s ALA 65 Cb -0.17 -3.09 0.36 0.00 0.00 0.00 0.00 23.12 20.23 2rtj s ALA 65 CO 0.58 -0.88 2.05 0.25 0.00 0.00 0.00 175.76 177.76 2rtj n THR 66 N -2.88 3.38 -4.41 0.00 -2.24 -1.26 -4.76 114.28 102.11 2rtj n THR 66 Ca 0.06 -2.62 -0.20 0.00 -2.27 0.00 0.00 64.05 59.02 2rtj n THR 66 Cb 0.55 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 2rtj n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rtj n ASP 67 N -0.48 1.38 -1.91 3.42 5.68 -1.26 -5.01 116.55 118.37 2rtj n ASP 67 Ca 0.52 -2.69 -0.08 0.00 -0.50 0.00 0.00 54.79 52.04 2rtj n ASP 67 Cb 0.61 0.74 -0.11 0.00 -1.14 0.00 0.00 41.12 41.22 2rtj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtj n GLY 68 N -0.05 2.68 3.99 6.12 0.00 -1.26 -4.87 105.19 111.80 2rtj n GLY 68 Ca -0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 2rtj n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtj s SER 69 N 2.07 5.92 0.62 1.61 0.01 -1.26 -5.10 113.70 117.57 2rtj s SER 69 Ca 0.44 -0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 2rtj s SER 69 Cb 0.21 -1.19 0.05 0.00 0.21 0.00 0.00 66.02 65.31 2rtj s SER 69 CO 0.00 -0.49 0.88 -0.83 0.41 0.00 0.00 173.24 173.21 2rtj s GLY 70 N -4.20 1.78 -0.27 3.44 0.00 -1.26 -4.92 107.32 101.88 2rtj s GLY 70 Ca 0.46 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 2rtj s GLY 70 CO 0.32 -0.88 0.14 -1.59 0.00 0.00 0.00 173.10 171.09 2rtj s THR 71 N -2.98 4.88 0.35 0.90 2.01 -0.04 -4.80 115.64 115.96 2rtj s THR 71 Ca 0.59 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 2rtj s THR 71 Cb -0.10 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 2rtj s THR 71 CO 0.41 0.27 1.05 0.00 -0.69 0.00 0.00 174.62 175.65 2rtj s ALA 72 N 1.69 3.21 0.28 7.40 0.00 -1.26 -0.38 121.76 132.70 2rtj s ALA 72 Ca 0.07 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 2rtj s ALA 72 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2rtj s ALA 72 CO 0.08 -0.13 0.73 -0.48 0.00 0.00 0.00 175.76 175.96 2rtj s LEU 73 N -2.14 -0.25 0.04 0.00 2.34 -0.57 -1.74 118.68 116.35 2rtj s LEU 73 Ca 0.52 -0.62 -0.27 0.00 0.06 0.00 0.00 54.13 53.83 2rtj s LEU 73 Cb -0.25 2.71 0.09 0.00 -0.56 0.00 0.00 46.19 48.18 2rtj s LEU 73 CO 0.31 -1.34 0.75 -0.83 -1.06 0.00 0.00 176.35 174.18 2rtj s GLY 74 N -2.92 -0.53 0.17 -3.48 0.00 -0.59 -1.83 107.32 98.14 2rtj s GLY 74 Ca 0.11 0.96 -0.17 0.00 0.00 0.00 0.00 44.72 45.62 2rtj s GLY 74 CO 0.07 0.44 0.47 0.66 0.00 0.00 0.00 173.10 174.74 2rtj s TRP 75 N -2.86 -0.11 0.03 1.90 -2.14 -0.75 -1.56 118.94 113.45 2rtj s TRP 75 Ca 0.00 -0.22 0.05 0.00 2.66 0.00 0.00 56.10 58.60 2rtj s TRP 75 Cb -0.01 0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.67 2rtj s TRP 75 CO -0.06 -0.84 -0.16 0.99 -2.66 0.00 0.00 176.95 174.22 2rtj s THR 76 N -3.86 1.24 -0.07 0.66 2.01 -0.18 -1.00 115.64 114.45 2rtj s THR 76 Ca 0.08 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 2rtj s THR 76 Cb 0.00 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.44 2rtj s THR 76 CO -0.05 0.11 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.26 2rtj s VAL 77 N -0.75 0.58 -0.22 3.82 1.01 -0.37 -2.67 120.40 121.81 2rtj s VAL 77 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2rtj s VAL 77 Cb -0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2rtj s VAL 77 CO 0.01 0.27 0.20 0.00 0.00 0.00 0.00 175.10 175.58 2rtj s ALA 78 N 1.42 3.62 -1.13 5.51 0.00 -1.26 -0.98 121.76 128.93 2rtj s ALA 78 Ca -0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2rtj s ALA 78 Cb -0.13 -2.34 -0.14 0.00 0.00 0.00 0.00 23.12 20.50 2rtj s ALA 78 CO -0.03 -0.10 3.13 0.91 0.00 0.00 0.00 175.76 179.67 2rtj n TRP 79 N 4.07 1.68 -4.14 0.00 7.02 -0.23 -4.75 117.44 121.09 2rtj n TRP 79 Ca -0.14 -2.59 -0.19 0.00 -1.02 0.00 0.00 57.50 53.55 2rtj n TRP 79 Cb 0.52 -2.21 -0.16 0.00 -2.42 0.00 0.00 31.31 27.04 2rtj n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtj s LYS 80 N 1.87 0.74 0.00 -0.99 2.20 -1.26 -1.21 119.74 121.09 2rtj s LYS 80 Ca 0.68 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 2rtj s LYS 80 Cb 0.22 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 2rtj s LYS 80 CO -0.04 -0.08 0.00 0.27 -0.36 0.00 0.00 175.35 175.14 2rtj n ASN 81 N 3.99 0.00 0.00 1.43 0.23 -0.35 -4.79 115.26 115.78 2rtj n ASN 81 Ca -0.25 -0.80 0.01 0.00 -0.53 0.00 0.00 54.58 53.01 2rtj n ASN 81 Cb 0.51 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.29 2rtj n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2rtj n ASN 82 N -1.61 0.00 0.00 0.53 3.02 -1.26 -3.50 115.26 112.44 2rtj n ASN 82 Ca 0.00 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2rtj n ASN 82 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2rtj n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rtj n TYR 83 N -0.55 0.00 -3.76 3.10 4.02 -1.26 -5.08 117.16 113.63 2rtj n TYR 83 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 2rtj n TYR 83 Cb 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.25 2rtj n TYR 83 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2rtj s ARG 84 N -1.45 0.70 -0.31 -0.72 3.52 -1.23 -5.01 118.95 114.45 2rtj s ARG 84 Ca 0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 2rtj s ARG 84 Cb 0.00 0.31 0.11 0.00 -1.56 0.00 0.00 34.95 33.81 2rtj s ARG 84 CO 0.00 -0.20 0.15 1.21 -0.81 0.00 0.00 175.30 175.65 2rtj s ASN 85 N -1.48 3.41 0.00 -2.12 3.84 -1.26 -1.21 114.94 116.12 2rtj s ASN 85 Ca -0.12 -1.55 0.28 0.00 0.21 0.00 0.00 52.86 51.69 2rtj s ASN 85 Cb -0.04 -0.39 1.10 0.00 -0.55 0.00 0.00 41.25 41.37 2rtj s ASN 85 CO 0.03 -0.40 1.77 0.00 -2.79 0.00 0.00 177.10 175.70 2rtj n ALA 86 N 4.91 2.75 -3.79 1.71 0.00 -0.35 -4.95 120.51 120.80 2rtj n ALA 86 Ca -0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 2rtj n ALA 86 Cb 0.41 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.66 2rtj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtj n HIS 87 N -0.37 -1.99 -3.80 0.00 8.25 -1.26 -4.89 115.22 111.16 2rtj n HIS 87 Ca 0.17 0.85 -0.09 0.00 -0.26 0.00 0.00 57.72 58.39 2rtj n HIS 87 Cb 0.31 -4.20 -0.04 0.00 1.12 0.00 0.00 29.99 27.18 2rtj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2rtj s SER 88 N -4.07 -0.23 -0.05 0.41 1.04 -1.26 -1.47 113.70 108.08 2rtj s SER 88 Ca 0.19 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 2rtj s SER 88 Cb -0.09 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2rtj s SER 88 CO 0.83 -1.10 0.20 0.00 0.98 0.00 0.00 173.24 174.15 2rtj s ALA 89 N -3.90 -0.49 -0.01 5.32 0.00 -0.60 -1.06 121.76 121.01 2rtj s ALA 89 Ca 0.12 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.50 2rtj s ALA 89 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2rtj s ALA 89 CO 0.00 -0.15 -0.24 0.99 0.00 0.00 0.00 175.76 176.36 2rtj s THR 90 N -0.51 1.93 -0.03 0.00 2.01 -0.15 -1.10 115.64 117.78 2rtj s THR 90 Ca -0.06 -1.09 0.06 0.00 0.31 0.00 0.00 61.69 60.91 2rtj s THR 90 Cb -0.04 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2rtj s THR 90 CO 0.01 0.50 -0.21 0.42 -0.69 0.00 0.00 174.62 174.66 2rtj s THR 91 N -0.61 1.67 -0.11 -0.82 -4.23 -0.50 -1.23 115.64 109.81 2rtj s THR 91 Ca 0.10 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 2rtj s THR 91 Cb -0.09 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 2rtj s THR 91 CO -0.00 0.47 -0.16 0.26 -0.54 0.00 0.00 174.62 174.65 2rtj s TRP 92 N -0.30 2.74 -0.08 3.99 0.51 -0.17 -1.52 118.94 124.11 2rtj s TRP 92 Ca 0.03 -0.64 0.03 0.00 -2.12 0.00 0.00 56.10 53.40 2rtj s TRP 92 Cb -0.10 -1.78 0.01 0.00 -0.81 0.00 0.00 33.47 30.79 2rtj s TRP 92 CO 0.01 -0.19 -0.18 0.45 -0.51 0.00 0.00 176.95 176.53 2rtj s SER 93 N 0.17 2.42 0.00 2.95 0.15 -0.24 -1.81 113.70 117.35 2rtj s SER 93 Ca -0.09 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2rtj s SER 93 Cb -0.15 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 2rtj s SER 93 CO 0.05 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2rtj n GLY 94 N 3.59 0.89 3.09 9.45 0.00 -0.76 -1.63 105.19 119.81 2rtj n GLY 94 Ca -0.21 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2rtj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2rtj s GLN 95 N 1.37 0.47 -0.13 1.61 -2.07 -0.79 -1.51 119.66 118.62 2rtj s GLN 95 Ca 0.00 -0.51 -0.14 0.00 -1.82 0.00 0.00 55.36 52.89 2rtj s GLN 95 Cb 0.00 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 2rtj s GLN 95 CO 0.00 -0.11 0.32 -0.47 -1.32 0.00 0.00 175.29 173.71 2rtj s TYR 96 N -1.65 3.52 -0.15 9.60 5.04 0.49 -1.84 117.35 132.35 2rtj s TYR 96 Ca -0.13 0.69 0.01 0.00 -2.44 0.00 0.00 57.07 55.20 2rtj s TYR 96 Cb -0.07 -2.33 0.02 0.00 0.35 0.00 0.00 41.96 39.94 2rtj s TYR 96 CO -0.00 0.34 -0.17 0.08 -1.34 0.00 0.00 175.55 174.45 2rtj s VAL 97 N 0.11 1.78 0.21 3.14 1.01 0.32 -0.86 120.40 126.10 2rtj s VAL 97 Ca 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2rtj s VAL 97 Cb -0.14 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2rtj s VAL 97 CO 0.06 0.49 0.29 0.61 0.00 0.00 0.00 175.10 176.55 2rtj n GLY 98 N 4.57 1.35 0.00 4.51 0.00 -1.26 -0.47 105.19 113.88 2rtj n GLY 98 Ca -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2rtj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rtj n GLY 99 N 2.66 -0.04 0.34 -0.02 0.00 -1.26 -4.43 105.19 102.44 2rtj n GLY 99 Ca 0.05 -2.28 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 2rtj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtj h ALA 100 N 0.00 0.05 -2.92 4.61 0.00 -2.06 -2.90 119.26 116.05 2rtj h ALA 100 Ca 0.00 0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.49 2rtj h ALA 100 Cb 0.00 0.77 -0.42 0.00 0.00 0.00 0.00 17.79 18.14 2rtj h ALA 100 CO 0.00 -0.63 -0.60 -0.85 0.00 0.00 0.00 179.25 177.17 2rtj n GLU 101 N -5.45 1.82 -2.54 0.00 0.28 -1.26 -5.07 120.64 108.42 2rtj n GLU 101 Ca 0.06 -4.43 -0.34 0.00 -0.16 0.00 0.00 57.16 52.28 2rtj n GLU 101 Cb 0.36 -2.24 -0.04 0.00 1.43 0.00 0.00 31.44 30.96 2rtj n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rtj s ALA 102 N -1.52 2.89 0.23 -1.84 0.00 -1.10 -4.90 121.76 115.52 2rtj s ALA 102 Ca 0.27 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 2rtj s ALA 102 Cb -0.01 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.88 2rtj s ALA 102 CO -0.15 -0.30 0.61 -0.98 0.00 0.00 0.00 175.76 174.94 2rtj s ARG 103 N -3.17 1.54 -0.13 0.00 1.70 0.38 -4.35 118.95 114.91 2rtj s ARG 103 Ca 0.67 -0.88 -0.00 0.00 -0.47 0.00 0.00 55.73 55.05 2rtj s ARG 103 Cb -0.17 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 2rtj s ARG 103 CO 0.20 -0.68 -0.10 0.42 -1.08 0.00 0.00 175.30 174.06 2rtj s ILE 104 N -3.88 1.27 -0.21 4.99 1.01 -0.50 -0.52 121.20 123.35 2rtj s ILE 104 Ca 0.10 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 2rtj s ILE 104 Cb -0.03 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2rtj s ILE 104 CO 0.00 0.39 0.07 0.20 0.00 0.00 0.00 174.94 175.60 2rtj s ASN 105 N 1.61 5.45 0.19 3.58 -0.87 -0.77 -0.70 114.94 123.43 2rtj s ASN 105 Ca 0.05 -0.04 0.01 0.00 -1.57 0.00 0.00 52.86 51.31 2rtj s ASN 105 Cb -0.13 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 2rtj s ASN 105 CO -0.09 0.08 0.04 0.42 -2.57 0.00 0.00 177.10 174.98 2rtj s THR 106 N 0.93 0.53 0.03 1.60 -4.23 -0.31 -1.88 115.64 112.31 2rtj s THR 106 Ca 0.04 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2rtj s THR 106 Cb -0.14 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 2rtj s THR 106 CO 0.03 -0.35 -0.15 -1.10 -0.54 0.00 0.00 174.62 172.51 2rtj s GLN 107 N -3.97 1.03 0.09 3.99 -0.21 -0.65 -1.96 119.66 117.97 2rtj s GLN 107 Ca 0.28 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.93 2rtj s GLN 107 Cb 0.07 -1.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 2rtj s GLN 107 CO 0.06 0.26 -0.09 1.67 -2.12 0.00 0.00 175.29 175.08 2rtj s TRP 108 N -0.78 0.94 -0.13 0.91 1.48 0.37 -1.08 118.94 120.66 2rtj s TRP 108 Ca 0.03 -0.70 0.01 0.00 -1.06 0.00 0.00 56.10 54.37 2rtj s TRP 108 Cb -0.08 -0.53 0.02 0.00 -1.16 0.00 0.00 33.47 31.72 2rtj s TRP 108 CO 0.01 -0.06 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.20 2rtj s LEU 109 N -2.47 1.59 -0.30 -4.66 1.43 -0.58 -1.55 118.68 112.15 2rtj s LEU 109 Ca 0.05 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2rtj s LEU 109 Cb -0.02 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.16 2rtj s LEU 109 CO -0.01 -0.05 0.02 -0.22 0.23 0.00 0.00 176.35 176.32 2rtj s LEU 110 N 1.40 3.86 -0.12 1.79 0.20 -0.11 -1.41 118.68 124.29 2rtj s LEU 110 Ca 0.02 -1.13 -0.03 0.00 0.69 0.00 0.00 54.13 53.68 2rtj s LEU 110 Cb -0.13 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 2rtj s LEU 110 CO -0.08 -0.25 -0.01 -0.89 -0.29 0.00 0.00 176.35 174.84 2rtj s THR 111 N 1.32 4.20 0.10 3.68 2.01 -0.26 -1.06 115.64 125.63 2rtj s THR 111 Ca -0.03 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.74 2rtj s THR 111 Cb -0.19 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2rtj s THR 111 CO -0.00 0.55 0.07 -0.44 -0.69 0.00 0.00 174.62 174.11 2rtj s SER 112 N -0.36 5.37 -0.03 3.53 0.01 -0.27 -1.56 113.70 120.40 2rtj s SER 112 Ca 0.07 -0.09 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 2rtj s SER 112 Cb -0.12 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 2rtj s SER 112 CO 0.02 0.15 1.03 -0.83 0.41 0.00 0.00 173.24 174.02 2rtj s GLY 113 N -2.52 2.65 0.41 3.44 0.00 -0.54 -4.87 107.32 105.89 2rtj s GLY 113 Ca 0.29 0.53 0.04 0.00 0.00 0.00 0.00 44.72 45.58 2rtj s GLY 113 CO 0.21 1.83 0.13 -0.51 0.00 0.00 0.00 173.10 174.76 2rtj s THR 114 N 1.38 0.60 0.74 0.90 -4.23 -1.26 -5.03 115.64 108.74 2rtj s THR 114 Ca 0.52 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.94 2rtj s THR 114 Cb -0.21 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.36 2rtj s THR 114 CO 0.25 0.00 1.08 0.42 -0.54 0.00 0.00 174.62 175.83 2rtj s THR 115 N -3.19 2.31 0.43 3.99 -4.23 -1.26 -4.88 115.64 108.80 2rtj s THR 115 Ca 0.23 -0.11 0.13 0.00 -1.18 0.00 0.00 61.69 60.76 2rtj s THR 115 Cb 0.02 -3.05 0.18 0.00 1.34 0.00 0.00 72.50 70.99 2rtj s THR 115 CO 0.14 -0.06 1.97 -0.33 -0.54 0.00 0.00 174.62 175.80 2rtj h GLU 116 N -0.76 0.09 -0.06 3.99 5.08 -2.00 -2.12 114.58 118.80 2rtj h GLU 116 Ca -0.45 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 2rtj h GLU 116 Cb 1.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2rtj h GLU 116 CO 0.63 0.25 -0.18 0.00 -1.00 0.00 0.00 179.01 178.71 2rtj h ALA 117 N 1.76 1.58 -0.55 3.43 0.00 -2.06 -2.91 119.26 120.51 2rtj h ALA 117 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2rtj h ALA 117 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2rtj h ALA 117 CO 0.02 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.67 2rtj n ASN 118 N -4.28 3.63 0.22 0.00 3.02 -0.83 -4.55 115.26 112.47 2rtj n ASN 118 Ca -0.02 -2.09 0.08 0.00 -0.03 0.00 0.00 54.58 52.52 2rtj n ASN 118 Cb 0.27 -0.40 0.62 0.00 -0.61 0.00 0.00 39.78 39.66 2rtj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtj h ALA 119 N 3.25 1.99 0.00 5.41 0.00 -1.25 -2.22 119.26 126.43 2rtj h ALA 119 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rtj h ALA 119 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2rtj h ALA 119 CO 0.04 0.00 -0.05 0.11 0.00 0.00 0.00 179.25 179.35 2rtj h TRP 120 N 0.06 0.00 -0.53 0.00 5.08 -1.82 -2.52 115.95 116.22 2rtj h TRP 120 Ca 0.03 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.66 2rtj h TRP 120 Cb 0.04 0.00 -0.22 0.00 -3.00 0.00 0.00 29.16 25.98 2rtj h TRP 120 CO -0.00 0.05 -0.18 0.36 -1.28 0.00 0.00 178.44 177.40 2rtj n LYS 121 N -3.80 2.42 0.06 0.12 2.85 -0.84 -4.71 118.16 114.26 2rtj n LYS 121 Ca -0.03 -3.48 0.12 0.00 -1.05 0.00 0.00 58.31 53.87 2rtj n LYS 121 Cb 0.15 -2.00 0.17 0.00 -0.65 0.00 0.00 35.03 32.70 2rtj n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rtj n SER 122 N -0.99 0.68 -4.17 -5.58 3.41 -0.95 -4.90 113.62 101.12 2rtj n SER 122 Ca 0.40 0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.78 2rtj n SER 122 Cb 0.96 0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.93 2rtj n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rtj s THR 123 N -3.16 2.04 0.03 6.66 2.01 -1.26 -1.11 115.64 120.84 2rtj s THR 123 Ca 0.06 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 2rtj s THR 123 Cb 0.14 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2rtj s THR 123 CO 0.72 0.55 0.18 -0.76 -0.69 0.00 0.00 174.62 174.62 2rtj s LEU 124 N 0.80 4.28 0.05 4.42 1.43 -0.23 -4.93 118.68 124.51 2rtj s LEU 124 Ca -0.07 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 2rtj s LEU 124 Cb -0.16 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2rtj s LEU 124 CO -0.02 0.22 -0.21 0.54 0.23 0.00 0.00 176.35 177.11 2rtj s VAL 125 N -1.39 1.70 0.13 -1.59 0.11 -1.26 -0.93 120.40 117.17 2rtj s VAL 125 Ca 0.30 -1.25 -0.06 0.00 -2.93 0.00 0.00 61.98 58.04 2rtj s VAL 125 Cb -0.13 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.26 2rtj s VAL 125 CO 0.22 0.18 0.30 0.61 -3.33 0.00 0.00 175.10 173.08 2rtj n GLY 126 N 1.75 1.54 3.03 6.54 0.00 -0.59 -4.99 105.19 112.47 2rtj n GLY 126 Ca -0.17 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2rtj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtj s HIS 127 N -6.25 -0.05 0.01 1.61 -3.43 -1.26 -0.47 115.29 105.43 2rtj s HIS 127 Ca 0.06 0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.47 2rtj s HIS 127 Cb -0.02 0.00 -0.01 0.00 -1.43 0.00 0.00 32.58 31.12 2rtj s HIS 127 CO 0.04 -0.14 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.08 2rtj s ASP 128 N -0.47 0.62 -0.13 7.38 1.01 -0.83 -4.97 116.67 119.29 2rtj s ASP 128 Ca -0.06 -0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.03 2rtj s ASP 128 Cb -0.04 -0.04 0.01 0.00 1.01 0.00 0.00 42.92 43.87 2rtj s ASP 128 CO 0.00 -0.00 -0.21 -0.89 0.21 0.00 0.00 175.17 174.28 2rtj s THR 129 N -0.41 1.95 -0.04 -1.27 2.01 -1.26 -1.16 115.64 115.46 2rtj s THR 129 Ca -0.01 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.09 2rtj s THR 129 Cb -0.04 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 2rtj s THR 129 CO -0.00 0.53 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.05 2rtj s PHE 130 N 0.83 2.96 0.22 4.92 0.40 0.12 -3.40 117.98 124.03 2rtj s PHE 130 Ca -0.08 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 2rtj s PHE 130 Cb -0.15 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.64 2rtj s PHE 130 CO -0.01 0.38 -0.01 0.95 0.70 0.00 0.00 175.22 177.22 2rtj s THR 131 N -0.91 1.02 -0.73 0.64 -4.23 0.37 -1.41 115.64 110.39 2rtj s THR 131 Ca 0.15 -2.03 0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2rtj s THR 131 Cb -0.11 -2.27 0.23 0.00 1.34 0.00 0.00 72.50 71.69 2rtj s THR 131 CO 0.05 -0.39 1.68 0.29 -0.54 0.00 0.00 174.62 175.71 2rtj n LYS 132 N -0.38 0.25 -4.08 3.99 5.02 -1.26 -0.64 118.16 121.07 2rtj n LYS 132 Ca -0.06 0.17 -0.27 0.00 -2.02 0.00 0.00 58.31 56.14 2rtj n LYS 132 Cb 0.63 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 2rtj n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2rtj s VAL 133 N -3.11 4.49 -0.27 -0.18 1.01 -1.26 -4.84 120.40 116.24 2rtj s VAL 133 Ca 0.10 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2rtj s VAL 133 Cb 0.13 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2rtj s VAL 133 CO 0.62 -0.06 0.00 -1.59 0.00 0.00 0.00 175.10 174.07 2rtj s LYS 134 N -2.96 2.93 0.00 2.72 -2.85 -1.26 -4.55 119.74 113.76 2rtj s LYS 134 Ca 0.31 -0.94 0.30 0.00 -1.00 0.00 0.00 55.97 54.63 2rtj s LYS 134 Cb -0.10 -3.16 1.40 0.00 -2.06 0.00 0.00 37.83 33.90 2rtj s LYS 134 CO 0.23 -0.43 1.94 -0.35 0.10 0.00 0.00 175.35 176.84