#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sps n GLU 3 N 0.00 0.14 0.30 0.00 0.00 -1.26 -4.24 120.64 115.58 1sps n GLU 3 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.36 1sps n GLU 3 Cb 0.00 -1.05 1.04 0.00 0.00 0.00 0.00 31.44 31.43 1sps n GLU 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1sps h GLU 4 N 0.56 0.00 -0.44 3.44 4.11 -2.02 -0.48 114.58 119.76 1sps h GLU 4 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sps h GLU 4 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sps h GLU 4 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 179.01 176.41 1sps n TRP 5 N -2.95 0.58 -3.67 2.06 4.27 -1.26 -4.86 117.44 111.61 1sps n TRP 5 Ca -0.02 -0.47 -0.39 0.00 -3.89 0.00 0.00 57.50 52.73 1sps n TRP 5 Cb 0.11 -0.02 -0.12 0.00 -1.36 0.00 0.00 31.31 29.92 1sps n TRP 5 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1sps s TYR 6 N -1.01 3.19 -0.24 -2.67 5.04 -0.19 -0.68 117.35 120.79 1sps s TYR 6 Ca 0.30 -0.81 0.14 0.00 -2.44 0.00 0.00 57.07 54.26 1sps s TYR 6 Cb 0.16 -2.35 0.67 0.00 0.35 0.00 0.00 41.96 40.79 1sps s TYR 6 CO 0.21 -0.55 1.62 1.19 -1.34 0.00 0.00 175.55 176.68 1sps n PHE 7 N 4.95 1.68 0.00 4.97 3.01 -0.37 -4.99 117.46 126.70 1sps n PHE 7 Ca -0.13 -0.97 0.00 0.00 1.01 0.00 0.00 57.45 57.36 1sps n PHE 7 Cb 0.48 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1sps n PHE 7 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sps n GLY 8 N -0.14 3.60 2.13 1.37 0.00 -1.26 -3.35 105.19 107.55 1sps n GLY 8 Ca 0.29 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1sps n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sps n LYS 9 N 14.00 2.49 -1.55 1.61 4.81 -1.26 -0.40 118.16 137.86 1sps n LYS 9 Ca 0.00 -3.24 -0.36 0.00 -0.87 0.00 0.00 58.31 53.84 1sps n LYS 9 Cb 0.00 -2.19 0.09 0.00 0.02 0.00 0.00 35.03 32.94 1sps n LYS 9 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1sps n ILE 10 N -1.02 4.12 -2.31 3.15 5.41 -1.21 -4.91 119.36 122.59 1sps n ILE 10 Ca 0.57 -0.42 -0.26 0.00 1.00 0.00 0.00 62.75 63.64 1sps n ILE 10 Cb 1.11 -1.40 0.04 0.00 -0.71 0.00 0.00 39.64 38.69 1sps n ILE 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1sps s THR 11 N -1.59 3.22 0.19 1.39 -4.23 -1.26 -4.75 115.64 108.61 1sps s THR 11 Ca 0.80 -0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 1sps s THR 11 Cb -0.36 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.28 1sps s THR 11 CO 0.43 -0.33 1.74 -0.09 -0.54 0.00 0.00 174.62 175.83 1sps h ARG 12 N -0.32 1.03 0.00 3.99 9.65 -1.95 -0.31 114.38 126.47 1sps h ARG 12 Ca -0.45 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 1sps h ARG 12 Cb 1.27 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1sps h ARG 12 CO 0.61 0.87 -0.08 2.89 2.80 0.00 0.00 179.97 187.05 1sps n ARG 13 N -4.37 0.05 0.09 0.20 -4.01 -1.26 -0.85 116.66 106.51 1sps n ARG 13 Ca 0.05 0.03 0.06 0.00 -1.04 0.00 0.00 57.85 56.95 1sps n ARG 13 Cb 0.19 -1.55 -0.02 0.00 -3.04 0.00 0.00 32.46 28.04 1sps n ARG 13 CO 0.00 0.00 0.00 1.49 -3.04 0.00 0.00 177.63 176.08 1sps h GLU 14 N 0.00 0.00 0.10 2.89 4.57 -1.90 -1.98 114.58 118.27 1sps h GLU 14 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1sps h GLU 14 Cb 0.54 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1sps h GLU 14 CO 0.00 0.16 -0.82 0.66 -1.18 0.00 0.00 179.01 177.83 1sps h SER 15 N 0.00 0.54 -0.18 1.04 4.64 -0.83 -3.06 113.55 115.70 1sps h SER 15 Ca -0.06 -0.88 0.03 0.00 -0.47 0.00 0.00 61.79 60.40 1sps h SER 15 Cb 1.26 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 1sps h SER 15 CO 0.02 1.37 -0.02 -0.33 -0.87 0.00 0.00 176.83 177.01 1sps h GLU 16 N -0.22 0.03 0.00 4.77 5.08 -1.10 0.71 114.58 123.86 1sps h GLU 16 Ca -0.13 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1sps h GLU 16 Cb 1.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1sps h GLU 16 CO 0.16 0.02 -0.32 0.07 -1.00 0.00 0.00 179.01 177.94 1sps h ARG 17 N 0.03 0.00 0.05 2.33 0.11 -1.48 -0.39 114.38 115.03 1sps h ARG 17 Ca 0.08 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.91 1sps h ARG 17 Cb 0.12 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.21 1sps h ARG 17 CO -0.16 0.32 -1.08 1.25 0.10 0.00 0.00 179.97 180.39 1sps h LEU 18 N 0.00 0.67 -0.26 0.08 5.85 -1.42 -3.32 115.31 116.91 1sps h LEU 18 Ca -0.00 -0.58 -0.20 0.00 0.84 0.00 0.00 57.88 57.94 1sps h LEU 18 Cb 0.57 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1sps h LEU 18 CO 0.04 1.39 -0.89 -0.07 -0.34 0.00 0.00 178.44 178.57 1sps h LEU 19 N 0.25 0.18 0.00 2.25 -0.00 -0.55 -3.34 115.31 114.09 1sps h LEU 19 Ca -0.12 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1sps h LEU 19 Cb 1.74 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1sps h LEU 19 CO 0.20 0.98 0.00 -0.11 -0.00 0.00 0.00 178.44 179.50 1sps n LEU 20 N -3.60 0.00 -4.63 1.67 7.94 -0.18 -4.83 117.00 113.37 1sps n LEU 20 Ca -0.03 0.32 -0.49 0.00 -1.11 0.00 0.00 56.01 54.70 1sps n LEU 20 Cb 0.82 -0.32 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 1sps n LEU 20 CO 0.47 -0.07 1.03 -3.20 -1.11 0.00 0.00 177.39 174.51 1sps n ASN 21 N -1.32 2.31 0.02 1.96 5.15 -1.25 -4.87 115.26 117.26 1sps n ASN 21 Ca 0.10 1.11 0.22 0.00 -0.60 0.00 0.00 54.58 55.41 1sps n ASN 21 Cb 0.20 -1.31 0.67 0.00 -0.53 0.00 0.00 39.78 38.82 1sps n ASN 21 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1sps h PRO 22 N 5.09 0.00 0.00 1.20 0.11 -1.97 -2.37 132.00 134.07 1sps h PRO 22 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1sps h PRO 22 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1sps h PRO 22 CO 0.82 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.39 1sps h GLU 23 N 0.00 0.00 -6.25 1.05 4.39 -1.96 -3.45 114.58 108.37 1sps h GLU 23 Ca 0.27 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.42 1sps h GLU 23 Cb 1.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1sps h GLU 23 CO -0.00 0.15 1.25 -0.80 -1.16 0.00 0.00 179.01 178.45 1sps s ASN 24 N -6.09 6.25 0.86 1.42 -0.87 -0.89 -5.00 114.94 110.61 1sps s ASN 24 Ca 0.02 2.22 -0.11 0.00 -1.57 0.00 0.00 52.86 53.43 1sps s ASN 24 Cb 0.08 -2.53 0.11 0.00 -0.02 0.00 0.00 41.25 38.90 1sps s ASN 24 CO 0.63 -1.27 1.15 -2.16 -2.57 0.00 0.00 177.10 172.87 1sps s PRO 25 N 4.85 1.42 0.18 -0.60 0.04 -1.26 -4.93 135.00 134.71 1sps s PRO 25 Ca 0.85 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 63.10 1sps s PRO 25 Cb -0.35 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 1sps s PRO 25 CO 0.36 -2.33 1.66 0.50 0.04 0.00 0.00 177.00 177.23 1sps s ARG 26 N -4.57 4.17 0.00 4.56 3.52 -1.26 -2.71 118.95 122.65 1sps s ARG 26 Ca 0.67 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.76 1sps s ARG 26 Cb -0.23 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1sps s ARG 26 CO 0.55 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1sps n GLY 27 N 3.89 0.85 3.78 8.12 0.00 0.11 -4.63 105.19 117.31 1sps n GLY 27 Ca 0.15 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1sps n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sps s THR 28 N -2.00 3.68 0.22 2.61 -4.23 -1.10 -1.08 115.64 113.74 1sps s THR 28 Ca 0.00 1.30 -0.02 0.00 -1.18 0.00 0.00 61.69 61.78 1sps s THR 28 Cb 0.00 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1sps s THR 28 CO 0.00 0.01 0.20 0.72 -0.54 0.00 0.00 174.62 175.02 1sps s PHE 29 N -1.64 1.07 0.04 3.99 -0.71 -0.56 -0.92 117.98 119.26 1sps s PHE 29 Ca 0.58 -1.29 -0.21 0.00 -1.04 0.00 0.00 56.93 54.96 1sps s PHE 29 Cb -0.23 -0.44 0.05 0.00 -1.21 0.00 0.00 43.02 41.19 1sps s PHE 29 CO 0.28 -0.72 0.49 -0.48 -1.34 0.00 0.00 175.22 173.45 1sps s LEU 30 N -3.15 0.04 -0.12 -1.99 0.05 -0.73 -1.29 118.68 111.50 1sps s LEU 30 Ca 0.36 0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.68 1sps s LEU 30 Cb 0.05 2.03 -0.02 0.00 -2.05 0.00 0.00 46.19 46.20 1sps s LEU 30 CO 0.13 -0.70 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.41 1sps s VAL 31 N -2.43 3.17 0.30 1.48 1.01 0.14 -0.73 120.40 123.34 1sps s VAL 31 Ca -0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1sps s VAL 31 Cb -0.01 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1sps s VAL 31 CO -0.02 0.54 0.22 0.00 0.00 0.00 0.00 175.10 175.84 1sps s ARG 32 N 0.11 1.60 0.82 2.72 1.70 -0.07 -1.24 118.95 124.60 1sps s ARG 32 Ca -0.05 -1.92 -0.12 0.00 -0.47 0.00 0.00 55.73 53.17 1sps s ARG 32 Cb -0.15 0.23 0.09 0.00 -0.57 0.00 0.00 34.95 34.55 1sps s ARG 32 CO 0.04 -0.55 1.15 -1.21 -1.08 0.00 0.00 175.30 173.65 1sps s GLU 33 N -3.68 1.86 -0.17 3.89 2.02 0.46 -1.02 118.70 122.07 1sps s GLU 33 Ca 0.39 0.23 -0.07 0.00 0.02 0.00 0.00 54.97 55.54 1sps s GLU 33 Cb 0.04 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1sps s GLU 33 CO 0.22 -1.69 0.05 0.45 0.02 0.00 0.00 175.26 174.32 1sps s SER 34 N -4.37 5.56 0.49 -0.19 0.15 -0.77 -4.37 113.70 110.20 1sps s SER 34 Ca 0.62 0.09 0.29 0.00 0.70 0.00 0.00 55.95 57.64 1sps s SER 34 Cb -0.12 -1.92 1.06 0.00 -1.71 0.00 0.00 66.02 63.33 1sps s SER 34 CO 0.51 0.20 1.87 -0.33 1.20 0.00 0.00 173.24 176.69 1sps h GLU 35 N 6.50 0.00 0.00 5.44 5.08 -1.91 -3.17 114.58 126.52 1sps h GLU 35 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1sps h GLU 35 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sps h GLU 35 CO 0.68 0.09 -1.19 2.41 -1.00 0.00 0.00 179.01 180.00 1sps n THR 36 N -3.20 0.37 -3.67 1.13 -1.04 -1.26 -4.88 114.28 101.73 1sps n THR 36 Ca 0.01 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.44 1sps n THR 36 Cb 0.38 -0.13 -0.13 0.00 -1.82 0.00 0.00 70.33 68.64 1sps n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1sps s THR 37 N -3.35 -0.38 0.39 12.58 2.01 -1.20 -5.06 115.64 120.64 1sps s THR 37 Ca -0.01 0.25 0.12 0.00 0.31 0.00 0.00 61.69 62.36 1sps s THR 37 Cb 0.12 -0.45 0.13 0.00 0.01 0.00 0.00 72.50 72.30 1sps s THR 37 CO 0.81 0.11 1.88 0.50 -0.69 0.00 0.00 174.62 177.23 1sps h LYS 38 N 8.12 0.09 0.00 4.92 3.64 -1.90 -2.95 116.57 128.49 1sps h LYS 38 Ca -0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1sps h LYS 38 Cb 1.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1sps h LYS 38 CO 0.17 0.35 -0.94 0.78 -2.27 0.00 0.00 179.45 177.54 1sps h GLY 39 N 0.88 0.00 -2.50 5.01 0.00 -1.97 -3.47 103.07 101.01 1sps h GLY 39 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.85 1sps h GLY 39 CO 0.04 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.69 1sps s ALA 40 N -3.32 3.35 0.49 3.60 0.00 -1.11 -4.60 121.76 120.16 1sps s ALA 40 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1sps s ALA 40 Cb 0.10 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.55 1sps s ALA 40 CO 0.78 0.03 0.30 0.66 0.00 0.00 0.00 175.76 177.52 1sps n TYR 41 N -1.20 -0.32 -3.72 0.00 4.02 -0.85 -1.84 117.16 113.25 1sps n TYR 41 Ca 0.02 -2.15 -0.12 0.00 -0.01 0.00 0.00 57.90 55.65 1sps n TYR 41 Cb 0.54 -0.39 -0.12 0.00 -0.02 0.00 0.00 39.34 39.35 1sps n TYR 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sps s LEU 43 N 1.17 4.12 -0.11 0.00 2.96 -0.16 -0.89 118.68 125.77 1sps s LEU 43 Ca -0.08 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1sps s LEU 43 Cb -0.09 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1sps s LEU 43 CO -0.09 0.01 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.28 1sps s SER 44 N 1.09 3.06 -0.00 3.68 0.01 0.09 -0.65 113.70 120.98 1sps s SER 44 Ca 0.11 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1sps s SER 44 Cb -0.14 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1sps s SER 44 CO 0.06 0.13 -0.01 0.54 0.41 0.00 0.00 173.24 174.37 1sps s VAL 45 N 0.49 0.13 0.28 3.43 0.11 0.30 -1.77 120.40 123.38 1sps s VAL 45 Ca -0.15 -0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.63 1sps s VAL 45 Cb -0.17 -0.12 -0.09 0.00 -1.53 0.00 0.00 36.38 34.46 1sps s VAL 45 CO 0.06 0.04 0.80 -0.94 -3.33 0.00 0.00 175.10 171.73 1sps s SER 46 N 0.03 7.08 0.29 3.54 1.04 -0.09 0.54 113.70 126.13 1sps s SER 46 Ca -0.00 1.53 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 1sps s SER 46 Cb -0.02 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 1sps s SER 46 CO -0.00 -0.06 0.33 -0.62 0.98 0.00 0.00 173.24 173.86 1sps s ASP 47 N -1.78 0.78 -0.32 7.02 2.15 0.72 0.06 116.67 125.29 1sps s ASP 47 Ca 0.48 -1.46 0.03 0.00 0.43 0.00 0.00 52.55 52.04 1sps s ASP 47 Cb -0.16 0.55 0.17 0.00 -0.30 0.00 0.00 42.92 43.18 1sps s ASP 47 CO 0.20 -1.09 0.45 0.12 -0.17 0.00 0.00 175.17 174.68 1sps s PHE 48 N -3.59 -1.05 0.20 -5.34 5.36 -1.26 -1.72 117.98 110.59 1sps s PHE 48 Ca 0.34 0.16 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1sps s PHE 48 Cb 0.02 -0.10 -0.05 0.00 -0.34 0.00 0.00 43.02 42.55 1sps s PHE 48 CO 0.18 -1.02 0.42 0.16 -1.46 0.00 0.00 175.22 173.50 1sps s ASP 49 N 2.27 6.42 0.56 6.13 1.47 -1.25 -4.96 116.67 127.31 1sps s ASP 49 Ca 0.12 0.50 0.29 0.00 1.18 0.00 0.00 52.55 54.63 1sps s ASP 49 Cb -0.12 -2.05 1.47 0.00 -0.34 0.00 0.00 42.92 41.88 1sps s ASP 49 CO -0.22 -0.05 1.93 -1.13 0.68 0.00 0.00 175.17 176.38 1sps h ASN 50 N 2.13 0.00 0.25 2.11 -1.24 -2.02 -0.70 115.58 116.12 1sps h ASN 50 Ca -0.47 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.20 1sps h ASN 50 Cb 1.18 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.21 1sps h ASN 50 CO 0.69 0.00 -1.89 0.00 -1.29 0.00 0.00 177.43 174.94 1sps h ALA 51 N 1.57 0.53 0.00 1.57 0.00 -2.05 -3.37 119.26 117.52 1sps h ALA 51 Ca 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1sps h ALA 51 Cb 1.25 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1sps h ALA 51 CO -0.00 1.39 -0.83 1.63 0.00 0.00 0.00 179.25 181.44 1sps n LYS 52 N -3.35 0.08 0.00 0.00 4.01 -1.15 -5.07 118.16 112.68 1sps n LYS 52 Ca -0.27 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.53 1sps n LYS 52 Cb 1.05 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 1sps n LYS 52 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sps n GLY 53 N 1.47 0.22 3.52 0.72 0.00 -0.28 -4.67 105.19 106.17 1sps n GLY 53 Ca 0.04 -0.96 -0.57 0.00 0.00 0.00 0.00 46.02 44.53 1sps n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sps n LEU 54 N 0.00 1.78 -4.08 0.99 7.99 -1.26 -3.86 117.00 118.56 1sps n LEU 54 Ca 0.00 0.79 -0.08 0.00 -0.01 0.00 0.00 56.01 56.71 1sps n LEU 54 Cb 0.00 -1.09 -0.10 0.00 -0.11 0.00 0.00 43.42 42.12 1sps n LEU 54 CO 0.00 -0.65 -0.30 0.54 -1.51 0.00 0.00 177.39 175.47 1sps s ASN 55 N 5.25 0.38 -0.14 -1.43 2.20 -0.70 -4.99 114.94 115.51 1sps s ASN 55 Ca 1.08 -1.03 0.02 0.00 -0.94 0.00 0.00 52.86 51.98 1sps s ASN 55 Cb -1.16 0.25 0.00 0.00 -2.00 0.00 0.00 41.25 38.35 1sps s ASN 55 CO 0.63 -0.66 -0.19 -0.69 -2.94 0.00 0.00 177.10 173.25 1sps s VAL 56 N -3.96 2.42 -0.13 3.54 1.01 -1.26 -0.20 120.40 121.82 1sps s VAL 56 Ca 0.13 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1sps s VAL 56 Cb 0.07 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1sps s VAL 56 CO -0.06 0.53 0.11 -0.54 0.00 0.00 0.00 175.10 175.15 1sps s LYS 57 N 0.68 3.48 -0.21 2.72 3.01 0.19 -4.91 119.74 124.69 1sps s LYS 57 Ca -0.09 -0.20 0.02 0.00 -1.01 0.00 0.00 55.97 54.69 1sps s LYS 57 Cb -0.16 -3.15 0.03 0.00 -1.01 0.00 0.00 37.83 33.55 1sps s LYS 57 CO 0.02 0.68 -0.16 -1.01 0.51 0.00 0.00 175.35 175.39 1sps s HIS 58 N -0.77 2.97 -0.11 3.18 3.76 -1.26 -0.53 115.29 122.52 1sps s HIS 58 Ca 0.13 -1.90 -0.03 0.00 -0.15 0.00 0.00 55.06 53.11 1sps s HIS 58 Cb -0.12 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 1sps s HIS 58 CO 0.03 -0.83 0.00 0.71 -0.85 0.00 0.00 174.74 173.79 1sps s TYR 59 N 1.22 3.15 -0.21 1.40 1.51 0.17 -4.95 117.35 119.64 1sps s TYR 59 Ca -0.00 0.10 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 1sps s TYR 59 Cb -0.16 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1sps s TYR 59 CO -0.10 0.36 0.55 0.21 -1.11 0.00 0.00 175.55 175.46 1sps s LYS 60 N -0.55 4.17 -0.95 -0.62 2.20 -1.26 -0.99 119.74 121.74 1sps s LYS 60 Ca 0.09 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.97 1sps s LYS 60 Cb -0.12 -3.58 0.13 0.00 -1.51 0.00 0.00 37.83 32.75 1sps s LYS 60 CO 0.02 -0.22 1.15 0.42 -0.36 0.00 0.00 175.35 176.37 1sps s ILE 61 N 1.86 4.71 0.28 5.43 1.01 -0.63 -4.56 121.20 129.30 1sps s ILE 61 Ca 0.25 -1.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.01 1sps s ILE 61 Cb -0.16 -4.80 -0.09 0.00 0.01 0.00 0.00 42.46 37.42 1sps s ILE 61 CO 0.10 -1.53 1.07 -0.13 0.00 0.00 0.00 174.94 174.45 1sps s ARG 62 N 2.73 4.65 -0.55 2.79 0.52 -0.47 -2.00 118.95 126.62 1sps s ARG 62 Ca 0.34 1.75 -0.20 0.00 -0.52 0.00 0.00 55.73 57.09 1sps s ARG 62 Cb -0.04 -3.17 0.07 0.00 0.52 0.00 0.00 34.95 32.32 1sps s ARG 62 CO -0.09 0.24 0.74 0.21 0.02 0.00 0.00 175.30 176.42 1sps s LYS 63 N -1.46 3.14 0.53 3.54 2.20 -1.26 -2.14 119.74 124.30 1sps s LYS 63 Ca 0.45 -0.85 -0.19 0.00 -0.36 0.00 0.00 55.97 55.01 1sps s LYS 63 Cb -0.31 -4.14 -0.06 0.00 -1.51 0.00 0.00 37.83 31.81 1sps s LYS 63 CO 0.39 -1.41 1.09 -1.17 -0.36 0.00 0.00 175.35 173.89 1sps s LEU 64 N 3.07 3.74 0.00 5.43 2.96 -0.59 -4.85 118.68 128.45 1sps s LEU 64 Ca 0.18 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1sps s LEU 64 Cb -0.19 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 41.94 1sps s LEU 64 CO 0.12 -1.07 0.70 0.47 -1.32 0.00 0.00 176.35 175.24 1sps n ASP 65 N -1.31 0.00 0.00 3.68 8.00 -1.26 -1.43 116.55 124.23 1sps n ASP 65 Ca 0.10 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 54.05 1sps n ASP 65 Cb 0.52 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1sps n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sps n SER 66 N 4.18 0.00 0.00 -2.24 7.64 -1.26 -4.99 113.62 116.96 1sps n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sps n SER 66 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sps n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sps n GLY 67 N -0.95 0.11 3.21 0.23 0.00 -0.51 -5.12 105.19 102.15 1sps n GLY 67 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1sps n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sps s GLY 68 N -0.18 2.28 -0.00 -0.02 0.00 -1.19 -4.49 107.32 103.73 1sps s GLY 68 Ca 0.00 -2.87 -0.30 0.00 0.00 0.00 0.00 44.72 41.55 1sps s GLY 68 CO 0.00 1.14 0.98 -1.36 0.00 0.00 0.00 173.10 173.87 1sps s PHE 69 N 0.78 3.65 -0.01 1.90 0.08 0.67 -1.54 117.98 123.52 1sps s PHE 69 Ca 0.11 1.69 -0.05 0.00 0.12 0.00 0.00 56.93 58.80 1sps s PHE 69 Cb -0.22 -3.13 -0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1sps s PHE 69 CO -0.03 -0.04 0.10 1.52 -0.10 0.00 0.00 175.22 176.67 1sps s TYR 70 N 1.05 0.05 -0.25 0.36 1.13 -0.91 0.45 117.35 119.22 1sps s TYR 70 Ca 0.52 -0.11 -0.05 0.00 -1.41 0.00 0.00 57.07 56.03 1sps s TYR 70 Cb -0.21 -0.06 -0.17 0.00 -1.10 0.00 0.00 41.96 40.43 1sps s TYR 70 CO 0.28 -0.21 -0.17 -0.89 -2.51 0.00 0.00 175.55 172.04 1sps n ILE 71 N 1.87 1.54 -0.06 -3.49 5.41 -1.26 -1.36 119.36 122.01 1sps n ILE 71 Ca -0.20 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.01 1sps n ILE 71 Cb 0.56 -1.62 -0.11 0.00 -0.71 0.00 0.00 39.64 37.76 1sps n ILE 71 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1sps n THR 72 N -3.62 0.76 0.00 1.39 5.66 -1.26 -4.87 114.28 112.34 1sps n THR 72 Ca -0.46 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 1sps n THR 72 Cb 0.95 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1sps n THR 72 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1sps n SER 73 N -2.41 0.00 0.11 1.09 7.64 -1.26 -4.85 113.62 113.93 1sps n SER 73 Ca -0.19 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.56 1sps n SER 73 Cb 0.84 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.96 1sps n SER 73 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sps h ARG 74 N 0.00 -0.19 -5.16 1.43 3.08 -2.01 -3.39 114.38 108.14 1sps h ARG 74 Ca 0.00 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.43 1sps h ARG 74 Cb 0.00 0.04 -0.21 0.00 0.08 0.00 0.00 29.97 29.89 1sps h ARG 74 CO 0.00 -0.09 -0.63 0.99 -1.07 0.00 0.00 179.97 179.18 1sps s THR 75 N -5.97 4.24 0.18 2.04 2.01 -1.26 -5.10 115.64 111.78 1sps s THR 75 Ca -0.14 -0.22 0.10 0.00 0.31 0.00 0.00 61.69 61.75 1sps s THR 75 Cb 0.05 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1sps s THR 75 CO 0.65 0.43 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.68 1sps s GLN 76 N 0.86 1.42 0.05 4.92 -0.21 -1.26 -4.41 119.66 121.04 1sps s GLN 76 Ca 0.02 -1.46 0.04 0.00 0.02 0.00 0.00 55.36 53.97 1sps s GLN 76 Cb -0.14 -1.68 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1sps s GLN 76 CO 0.02 0.36 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.39 1sps s PHE 77 N -1.70 0.93 -0.07 0.91 0.08 0.17 -4.91 117.98 113.39 1sps s PHE 77 Ca 0.18 -0.46 -0.26 0.00 0.12 0.00 0.00 56.93 56.52 1sps s PHE 77 Cb -0.08 -0.54 -0.24 0.00 -0.57 0.00 0.00 43.02 41.60 1sps s PHE 77 CO 0.08 -0.01 1.00 0.66 -0.10 0.00 0.00 175.22 176.85 1sps h SER 78 N 4.51 0.12 -2.97 1.36 4.64 -1.86 0.19 113.55 119.53 1sps h SER 78 Ca -0.38 -0.79 -0.57 0.00 -0.47 0.00 0.00 61.79 59.58 1sps h SER 78 Cb 1.20 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.09 1sps h SER 78 CO 0.41 0.89 -0.78 -0.94 -0.87 0.00 0.00 176.83 175.55 1sps s SER 79 N -6.18 3.15 0.53 4.97 1.04 -1.26 -4.67 113.70 111.28 1sps s SER 79 Ca -0.17 -0.94 0.19 0.00 0.48 0.00 0.00 55.95 55.51 1sps s SER 79 Cb -0.00 -0.22 1.37 0.00 0.10 0.00 0.00 66.02 67.27 1sps s SER 79 CO 0.72 0.01 2.16 -0.07 0.98 0.00 0.00 173.24 177.03 1sps h LEU 80 N 2.81 0.00 -0.18 2.42 3.38 -1.94 -2.27 115.31 119.53 1sps h LEU 80 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1sps h LEU 80 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1sps h LEU 80 CO 0.55 0.00 0.00 0.06 0.09 0.00 0.00 178.44 179.14 1sps h GLN 81 N 0.00 0.00 0.06 1.13 -0.00 -1.99 -2.15 115.11 112.16 1sps h GLN 81 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.42 1sps h GLN 81 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1sps h GLN 81 CO -0.00 0.00 -1.08 0.37 -0.00 0.00 0.00 178.83 178.12 1sps h GLN 82 N 0.00 0.24 -0.11 0.06 5.75 -1.84 -2.61 115.11 116.60 1sps h GLN 82 Ca 0.00 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1sps h GLN 82 Cb 0.93 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 1sps h GLN 82 CO 0.00 1.11 0.04 1.25 -2.65 0.00 0.00 178.83 178.58 1sps h LEU 83 N 0.09 0.16 -1.06 -2.39 6.46 -1.15 -2.11 115.31 115.31 1sps h LEU 83 Ca -0.09 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.40 1sps h LEU 83 Cb 1.78 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.66 1sps h LEU 83 CO 0.17 0.32 -0.11 0.58 -0.62 0.00 0.00 178.44 178.77 1sps h VAL 84 N -0.00 1.23 -0.31 1.05 2.07 -1.46 -1.26 116.25 117.57 1sps h VAL 84 Ca 0.04 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1sps h VAL 84 Cb 0.21 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1sps h VAL 84 CO -0.00 0.34 0.12 0.00 0.02 0.00 0.00 177.57 178.04 1sps h ALA 85 N 1.39 0.40 0.18 1.67 0.00 -1.44 -2.67 119.26 118.80 1sps h ALA 85 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sps h ALA 85 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sps h ALA 85 CO 0.03 0.01 -0.09 -0.92 0.00 0.00 0.00 179.25 178.28 1sps h TYR 86 N 0.35 -0.23 0.00 0.00 5.03 -0.93 -2.24 116.97 118.95 1sps h TYR 86 Ca 0.10 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1sps h TYR 86 Cb 0.20 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.55 1sps h TYR 86 CO -0.00 0.13 0.00 0.66 -1.32 0.00 0.00 178.16 177.62 1sps n TYR 87 N -5.03 0.00 0.09 -3.82 4.01 -0.51 -0.77 117.16 111.12 1sps n TYR 87 Ca -0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.45 1sps n TYR 87 Cb 0.24 -0.46 -0.15 0.00 -0.31 0.00 0.00 39.34 38.66 1sps n TYR 87 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1sps h SER 88 N 0.00 0.55 -0.56 7.72 0.02 -1.15 -2.56 113.55 117.57 1sps h SER 88 Ca 0.00 -0.69 -0.10 0.00 -0.84 0.00 0.00 61.79 60.17 1sps h SER 88 Cb 0.16 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1sps h SER 88 CO 0.00 1.56 -0.02 0.11 -1.14 0.00 0.00 176.83 177.34 1sps h LYS 89 N 0.10 1.00 -2.08 3.45 1.79 -0.36 -3.41 116.57 117.06 1sps h LYS 89 Ca -0.25 -0.33 -0.05 0.00 -2.18 0.00 0.00 60.65 57.84 1sps h LYS 89 Cb 2.06 -0.08 -0.21 0.00 -1.58 0.00 0.00 32.23 32.42 1sps h LYS 89 CO 0.20 1.01 0.10 -3.38 -1.08 0.00 0.00 179.45 176.30 1sps s HIS 90 N -4.98 -0.73 0.20 -1.35 -3.43 -0.77 -5.07 115.29 99.16 1sps s HIS 90 Ca -0.12 1.69 -0.11 0.00 -0.80 0.00 0.00 55.06 55.73 1sps s HIS 90 Cb 0.13 0.28 0.13 0.00 -1.43 0.00 0.00 32.58 31.69 1sps s HIS 90 CO 0.85 -0.40 1.84 0.00 -2.00 0.00 0.00 174.74 175.02 1sps h ALA 91 N 4.69 0.89 -7.00 -1.38 0.00 -1.87 -3.38 119.26 111.21 1sps h ALA 91 Ca -0.28 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 53.95 1sps h ALA 91 Cb 1.16 -0.28 -0.16 0.00 0.00 0.00 0.00 17.79 18.50 1sps h ALA 91 CO 0.13 0.36 -0.94 -3.47 0.00 0.00 0.00 179.25 175.33 1sps n ASP 92 N -4.55 -0.08 0.00 0.00 2.03 -1.26 -1.28 116.55 111.41 1sps n ASP 92 Ca 0.06 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.13 1sps n ASP 92 Cb 0.05 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 1sps n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sps n GLY 93 N -2.43 1.67 3.74 0.27 0.00 -1.26 -5.08 105.19 102.11 1sps n GLY 93 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1sps n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sps s LEU 94 N 0.00 3.38 0.56 0.99 2.96 -0.41 -4.93 118.68 121.24 1sps s LEU 94 Ca 0.00 2.22 0.24 0.00 -0.22 0.00 0.00 54.13 56.38 1sps s LEU 94 Cb 0.00 -4.58 1.55 0.00 0.50 0.00 0.00 46.19 43.67 1sps s LEU 94 CO 0.00 -1.95 2.16 0.00 -1.32 0.00 0.00 176.35 175.24 1sps s HIS 96 N -4.82 -0.32 0.73 0.00 5.65 -1.26 -5.10 115.29 110.16 1sps s HIS 96 Ca -0.05 0.57 -0.14 0.00 0.25 0.00 0.00 55.06 55.69 1sps s HIS 96 Cb 0.16 0.45 0.04 0.00 -1.18 0.00 0.00 32.58 32.05 1sps s HIS 96 CO 0.61 -0.29 1.14 -0.98 -0.65 0.00 0.00 174.74 174.56 1sps s ARG 97 N -1.03 2.34 -0.11 2.88 1.70 -1.26 -4.80 118.95 118.67 1sps s ARG 97 Ca 0.00 1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 56.43 1sps s ARG 97 Cb -0.01 -1.89 -0.01 0.00 -0.57 0.00 0.00 34.95 32.47 1sps s ARG 97 CO -0.00 -1.62 1.04 -0.51 -1.08 0.00 0.00 175.30 173.13 1sps s LEU 98 N -5.32 4.24 -0.01 -1.89 1.43 -0.96 -4.63 118.68 111.54 1sps s LEU 98 Ca 0.68 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 55.41 1sps s LEU 98 Cb -0.22 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.33 1sps s LEU 98 CO 0.47 -0.49 0.15 0.35 0.23 0.00 0.00 176.35 177.05 1sps n THR 99 N 4.63 0.02 -3.64 5.49 -2.24 -0.24 -4.42 114.28 113.88 1sps n THR 99 Ca 0.09 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1sps n THR 99 Cb 0.48 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 1sps n THR 99 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sps s ASN 100 N -2.85 -0.65 0.10 3.42 3.84 -1.23 -4.94 114.94 112.63 1sps s ASN 100 Ca -0.03 1.17 -0.26 0.00 0.21 0.00 0.00 52.86 53.95 1sps s ASN 100 Cb 0.04 1.22 -0.06 0.00 -0.55 0.00 0.00 41.25 41.90 1sps s ASN 100 CO 0.29 -0.20 0.82 -0.69 -2.79 0.00 0.00 177.10 174.53 1sps s VAL 101 N 0.73 4.56 0.05 -5.21 1.01 -1.26 -1.49 120.40 118.78 1sps s VAL 101 Ca -0.02 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1sps s VAL 101 Cb -0.05 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1sps s VAL 101 CO -0.08 0.40 1.95 0.00 0.00 0.00 0.00 175.10 177.37 1sps s PRO 103 N 4.24 4.22 0.00 0.00 0.02 -1.26 -4.98 135.00 137.24 1sps s PRO 103 Ca 0.87 2.12 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1sps s PRO 103 Cb -0.43 -3.77 0.00 0.00 0.02 0.00 0.00 34.50 30.32 1sps s PRO 103 CO 0.41 -0.74 0.00 2.41 -0.33 0.00 0.00 177.00 178.75