#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 2.04 -0.03 0.00 0.28 -1.26 -4.65 120.64 117.03 1sps n GLU 3 Ca 0.00 -1.61 0.00 0.00 -0.16 0.00 0.00 57.16 55.39 1sps n GLU 3 Cb 0.00 -1.89 0.01 0.00 1.43 0.00 0.00 31.44 30.99 1sps n GLU 3 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1sps n GLU 4 N 1.26 1.10 -0.00 3.44 2.13 -1.26 -1.80 120.64 125.50 1sps n GLU 4 Ca 0.39 -0.09 0.10 0.00 0.66 0.00 0.00 57.16 58.23 1sps n GLU 4 Cb 0.65 -1.43 -0.14 0.00 0.27 0.00 0.00 31.44 30.79 1sps n GLU 4 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 1sps n TRP 5 N 0.10 0.01 -2.39 4.31 4.27 -1.26 -4.88 117.44 117.60 1sps n TRP 5 Ca 0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.21 1sps n TRP 5 Cb 0.32 -0.24 -0.03 0.00 -1.36 0.00 0.00 31.31 30.00 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 -3.24 2.19 -1.15 -2.67 5.04 -0.75 -2.02 117.35 114.75 1sps s TYR 6 Ca 0.01 0.35 0.27 0.00 -2.44 0.00 0.00 57.07 55.26 1sps s TYR 6 Cb 0.15 -4.42 0.86 0.00 0.35 0.00 0.00 41.96 38.90 1sps s TYR 6 CO 0.89 -2.06 1.65 1.19 -1.34 0.00 0.00 175.55 175.88 1sps n PHE 7 N 10.01 0.00 -4.25 4.97 3.01 0.05 -4.97 117.46 126.28 1sps n PHE 7 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1sps n PHE 7 Cb 0.50 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 1.45 0.88 2.43 1.37 0.00 -1.26 -4.24 105.19 105.83 1sps n GLY 8 Ca 0.08 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1sps n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sps n LYS 9 N 10.99 4.32 -2.74 1.61 5.02 -1.26 -1.84 118.16 134.27 1sps n LYS 9 Ca 0.00 -3.12 -0.22 0.00 -2.02 0.00 0.00 58.31 52.96 1sps n LYS 9 Cb 0.00 -2.66 0.08 0.00 -0.02 0.00 0.00 35.03 32.43 1sps n LYS 9 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1sps s ILE 10 N -0.36 2.29 0.32 -0.18 -4.36 -1.26 -5.04 121.20 112.61 1sps s ILE 10 Ca 0.58 -0.74 0.06 0.00 -0.26 0.00 0.00 60.65 60.30 1sps s ILE 10 Cb 0.19 -2.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 1sps s ILE 10 CO -0.09 0.00 0.42 0.42 0.24 0.00 0.00 174.94 175.93 1sps s THR 11 N -2.90 4.18 0.33 8.37 -4.23 -1.26 -4.77 115.64 115.35 1sps s THR 11 Ca 0.63 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1sps s THR 11 Cb -0.07 -3.44 0.27 0.00 1.34 0.00 0.00 72.50 70.60 1sps s THR 11 CO 0.41 -0.19 1.98 -0.09 -0.54 0.00 0.00 174.62 176.19 1sps h ARG 12 N 1.01 0.91 -0.38 3.99 2.43 -1.99 -1.34 114.38 119.01 1sps h ARG 12 Ca -0.47 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1sps h ARG 12 Cb 1.25 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1sps h ARG 12 CO 0.55 0.60 0.12 -0.09 -1.51 0.00 0.00 179.97 179.64 1sps h ARG 13 N 0.94 0.59 -0.69 0.20 2.43 -1.98 0.21 114.38 116.08 1sps h ARG 13 Ca 0.28 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1sps h ARG 13 Cb -0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1sps h ARG 13 CO -0.07 0.60 0.45 0.93 -1.51 0.00 0.00 179.97 180.37 1sps h GLU 14 N 0.47 0.90 -0.78 0.20 5.08 -1.86 -0.87 114.58 117.71 1sps h GLU 14 Ca 0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1sps h GLU 14 Cb 0.25 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1sps h GLU 14 CO -0.00 0.60 0.38 0.77 -1.00 0.00 0.00 179.01 179.75 1sps h SER 15 N 0.93 1.02 -0.45 1.42 0.02 -1.06 -2.01 113.55 113.42 1sps h SER 15 Ca 0.25 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1sps h SER 15 Cb -0.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1sps h SER 15 CO -0.06 0.87 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.90 1sps h GLU 16 N 1.11 0.97 -0.24 3.45 5.08 -0.60 -0.78 114.58 123.57 1sps h GLU 16 Ca 0.27 -0.45 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1sps h GLU 16 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1sps h GLU 16 CO -0.03 1.12 -0.49 0.07 -1.00 0.00 0.00 179.01 178.68 1sps h ARG 17 N 0.82 0.65 -0.27 2.33 0.11 -0.99 -0.77 114.38 116.25 1sps h ARG 17 Ca 0.09 -0.37 -0.17 0.00 0.10 0.00 0.00 59.98 59.63 1sps h ARG 17 Cb 0.85 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.96 1sps h ARG 17 CO 0.08 0.99 -0.52 -0.07 0.10 0.00 0.00 179.97 180.54 1sps h LEU 18 N 0.51 0.85 -0.04 0.08 3.38 -1.30 -3.13 115.31 115.65 1sps h LEU 18 Ca 0.03 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1sps h LEU 18 Cb 1.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1sps h LEU 18 CO 0.10 1.20 0.00 0.18 0.09 0.00 0.00 178.44 180.01 1sps n LEU 19 N -4.00 0.64 -1.36 1.67 4.77 -0.30 -2.76 117.00 115.65 1sps n LEU 19 Ca -0.03 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.56 1sps n LEU 19 Cb 0.60 -0.37 0.26 0.00 -2.33 0.00 0.00 43.42 41.58 1sps n LEU 19 CO 0.49 -0.17 0.66 0.18 -1.33 0.00 0.00 177.39 177.22 1sps n LEU 20 N -2.10 3.95 -4.66 2.23 4.77 -0.30 -4.77 117.00 116.10 1sps n LEU 20 Ca 0.06 -2.00 -0.42 0.00 -0.03 0.00 0.00 56.01 53.61 1sps n LEU 20 Cb 0.40 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1sps n LEU 20 CO 0.29 0.52 1.47 0.21 -1.33 0.00 0.00 177.39 178.54 1sps s ASN 21 N -0.57 6.56 0.38 -1.43 2.47 -1.11 -4.88 114.94 116.36 1sps s ASN 21 Ca 0.36 2.46 0.26 0.00 0.42 0.00 0.00 52.86 56.35 1sps s ASN 21 Cb 0.26 -2.54 1.38 0.00 -1.45 0.00 0.00 41.25 38.91 1sps s ASN 21 CO 0.12 -0.98 1.79 1.55 -3.72 0.00 0.00 177.10 175.86 1sps h PRO 22 N 9.83 0.00 0.00 0.43 0.13 -1.92 -1.94 132.00 138.53 1sps h PRO 22 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1sps h PRO 22 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1sps h PRO 22 CO 0.95 0.00 -0.63 0.93 -0.23 0.00 0.00 178.00 179.01 1sps h GLU 23 N 0.00 0.00 -6.60 0.86 4.39 -1.98 -3.46 114.58 107.80 1sps h GLU 23 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1sps h GLU 23 Cb 0.04 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.73 1sps h GLU 23 CO 0.00 0.63 1.00 -0.80 -1.16 0.00 0.00 179.01 178.68 1sps s ASN 24 N -6.70 6.46 0.92 1.42 0.01 -0.73 -5.02 114.94 111.29 1sps s ASN 24 Ca -0.00 2.74 -0.09 0.00 -0.71 0.00 0.00 52.86 54.81 1sps s ASN 24 Cb 0.11 -2.59 0.13 0.00 0.41 0.00 0.00 41.25 39.32 1sps s ASN 24 CO 0.76 -0.93 0.30 -0.81 -1.51 0.00 0.00 177.10 174.91 1sps n PRO 25 N 4.46 -1.64 -4.39 -0.60 -0.04 -1.26 -5.02 135.00 126.51 1sps n PRO 25 Ca 0.16 -0.51 -0.34 0.00 -0.04 0.00 0.00 63.50 62.76 1sps n PRO 25 Cb 0.37 -0.85 -0.11 0.00 -0.04 0.00 0.00 33.50 32.88 1sps n PRO 25 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1sps s ARG 26 N -3.05 3.24 0.00 0.54 3.52 -1.26 -4.01 118.95 117.92 1sps s ARG 26 Ca 0.23 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1sps s ARG 26 Cb -0.04 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1sps s ARG 26 CO 0.20 0.53 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 1sps n GLY 27 N 2.68 0.43 3.72 8.12 0.00 -0.55 -4.53 105.19 115.06 1sps n GLY 27 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1sps n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sps s THR 28 N -2.14 2.28 0.36 2.61 2.01 -1.26 -2.09 115.64 117.41 1sps s THR 28 Ca 0.00 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1sps s THR 28 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1sps s THR 28 CO 0.00 0.02 0.26 0.72 -0.69 0.00 0.00 174.62 174.93 1sps s PHE 29 N 1.07 1.80 -0.24 4.92 -0.71 -1.00 -1.20 117.98 122.63 1sps s PHE 29 Ca 0.72 -1.62 -0.26 0.00 -1.04 0.00 0.00 56.93 54.73 1sps s PHE 29 Cb -0.47 -0.82 0.08 0.00 -1.21 0.00 0.00 43.02 40.61 1sps s PHE 29 CO 0.33 -0.78 0.79 -0.48 -1.34 0.00 0.00 175.22 173.74 1sps s LEU 30 N -3.44 -0.66 -0.00 -1.99 0.05 -0.69 -0.52 118.68 111.43 1sps s LEU 30 Ca 0.37 1.19 -0.07 0.00 0.05 0.00 0.00 54.13 55.67 1sps s LEU 30 Cb 0.02 2.32 -0.05 0.00 -2.05 0.00 0.00 46.19 46.44 1sps s LEU 30 CO 0.26 -0.28 0.27 -0.69 -0.55 0.00 0.00 176.35 175.36 1sps s VAL 31 N 0.09 5.30 0.33 1.48 1.01 -0.85 -1.26 120.40 126.50 1sps s VAL 31 Ca -0.01 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1sps s VAL 31 Cb -0.04 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1sps s VAL 31 CO 0.01 0.39 0.33 0.00 0.00 0.00 0.00 175.10 175.83 1sps s ARG 32 N -1.67 1.80 0.20 2.72 1.70 0.25 -0.77 118.95 123.18 1sps s ARG 32 Ca 0.26 -1.95 -0.20 0.00 -0.47 0.00 0.00 55.73 53.37 1sps s ARG 32 Cb -0.13 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 1sps s ARG 32 CO 0.15 -0.69 0.71 -2.00 -1.08 0.00 0.00 175.30 172.39 1sps s GLU 33 N -3.33 4.27 0.09 3.89 2.12 -0.76 -0.88 118.70 124.10 1sps s GLU 33 Ca 0.38 0.88 -0.30 0.00 0.36 0.00 0.00 54.97 56.28 1sps s GLU 33 Cb 0.02 -2.94 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 1sps s GLU 33 CO 0.26 0.43 1.16 0.45 -0.54 0.00 0.00 175.26 177.01 1sps s SER 34 N -1.57 7.15 0.21 -1.70 0.15 -0.54 -4.67 113.70 112.73 1sps s SER 34 Ca 0.41 2.02 0.24 0.00 0.70 0.00 0.00 55.95 59.32 1sps s SER 34 Cb -0.17 -2.59 0.91 0.00 -1.71 0.00 0.00 66.02 62.46 1sps s SER 34 CO 0.21 -0.38 1.73 1.21 1.20 0.00 0.00 173.24 177.20 1sps n GLU 35 N 3.44 0.19 0.00 5.44 2.13 -1.26 -4.39 120.64 126.19 1sps n GLU 35 Ca 0.07 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1sps n GLU 35 Cb 0.47 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1sps n GLU 35 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1sps n THR 36 N -2.15 0.00 -2.12 6.31 -2.24 -1.26 -4.94 114.28 107.87 1sps n THR 36 Ca 0.04 0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 1sps n THR 36 Cb 0.30 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 1sps n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sps s THR 37 N -0.48 3.50 0.54 4.28 2.01 -1.26 -4.95 115.64 119.28 1sps s THR 37 Ca 0.00 0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 1sps s THR 37 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1sps s THR 37 CO 0.00 -0.86 1.23 -0.54 -0.69 0.00 0.00 174.62 173.75 1sps s LYS 38 N 6.31 3.25 -0.05 4.92 3.01 -1.26 -2.95 119.74 132.97 1sps s LYS 38 Ca 0.66 1.89 0.00 0.00 -1.01 0.00 0.00 55.97 57.51 1sps s LYS 38 Cb -0.14 -2.14 0.00 0.00 -1.01 0.00 0.00 37.83 34.54 1sps s LYS 38 CO 0.25 -1.00 0.00 0.41 0.51 0.00 0.00 175.35 175.52 1sps n GLY 39 N 0.52 0.46 3.37 -3.33 0.00 -1.26 -5.00 105.19 99.95 1sps n GLY 39 Ca 0.11 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1sps n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sps s ALA 40 N -1.89 2.21 0.25 4.61 0.00 -1.15 -4.01 121.76 121.77 1sps s ALA 40 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1sps s ALA 40 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1sps s ALA 40 CO 0.00 0.21 0.00 0.66 0.00 0.00 0.00 175.76 176.63 1sps n TYR 41 N -0.12 0.56 -3.74 0.00 4.01 -0.01 -1.46 117.16 116.39 1sps n TYR 41 Ca -0.10 -1.24 -0.13 0.00 -0.16 0.00 0.00 57.90 56.28 1sps n TYR 41 Cb 0.59 -0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 39.33 1sps n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sps s LEU 43 N 1.04 4.62 -0.21 0.00 2.96 -0.02 -0.59 118.68 126.48 1sps s LEU 43 Ca -0.08 -0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 53.06 1sps s LEU 43 Cb -0.09 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1sps s LEU 43 CO -0.07 -0.97 0.31 -0.44 -1.32 0.00 0.00 176.35 173.86 1sps s SER 44 N 2.61 6.33 -0.16 3.68 0.01 -0.39 -1.40 113.70 124.37 1sps s SER 44 Ca 0.21 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1sps s SER 44 Cb -0.16 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 63.91 1sps s SER 44 CO 0.15 -0.01 -0.13 -0.69 0.41 0.00 0.00 173.24 172.97 1sps s VAL 45 N 1.15 1.59 0.41 3.43 1.01 -0.19 -1.71 120.40 126.09 1sps s VAL 45 Ca 0.15 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 1sps s VAL 45 Cb -0.14 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.60 1sps s VAL 45 CO 0.06 0.38 0.98 -0.94 0.00 0.00 0.00 175.10 175.59 1sps s SER 46 N 1.46 6.92 0.03 3.32 1.04 -0.34 -1.03 113.70 125.10 1sps s SER 46 Ca 0.03 1.82 -0.03 0.00 0.48 0.00 0.00 55.95 58.25 1sps s SER 46 Cb -0.14 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 1sps s SER 46 CO -0.10 -0.37 0.04 -0.62 0.98 0.00 0.00 173.24 173.16 1sps s ASP 47 N -1.91 0.23 -0.22 7.02 2.15 -0.20 -1.49 116.67 122.25 1sps s ASP 47 Ca 0.59 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 53.02 1sps s ASP 47 Cb -0.15 0.18 0.06 0.00 -0.30 0.00 0.00 42.92 42.71 1sps s ASP 47 CO 0.19 -0.43 -0.06 0.12 -0.17 0.00 0.00 175.17 174.81 1sps s PHE 48 N -2.27 2.34 0.00 -5.34 2.19 -1.26 -0.67 117.98 112.97 1sps s PHE 48 Ca -0.08 -1.67 0.00 0.00 0.33 0.00 0.00 56.93 55.51 1sps s PHE 48 Cb -0.04 -1.57 0.00 0.00 -1.31 0.00 0.00 43.02 40.11 1sps s PHE 48 CO -0.03 -0.76 0.94 -0.40 1.83 0.00 0.00 175.22 176.80 1sps n ASP 49 N 4.69 1.85 -1.35 6.13 5.68 -0.97 -5.06 116.55 127.52 1sps n ASP 49 Ca -0.12 -1.89 0.18 0.00 -0.50 0.00 0.00 54.79 52.46 1sps n ASP 49 Cb 0.45 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 1sps n ASP 49 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1sps n ASN 50 N -0.44 -7.99 0.00 -1.12 2.85 -1.24 -4.68 115.26 102.64 1sps n ASN 50 Ca 0.00 0.62 0.00 0.00 -0.11 0.00 0.00 54.58 55.09 1sps n ASN 50 Cb 0.24 -4.18 0.00 0.00 1.24 0.00 0.00 39.78 37.08 1sps n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sps n ALA 51 N -2.36 0.00 0.09 5.20 0.00 -1.26 -2.04 120.51 120.14 1sps n ALA 51 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1sps n ALA 51 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 1sps n ALA 51 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sps h LYS 52 N 0.00 0.00 0.00 0.00 3.64 -2.03 -3.50 116.57 114.68 1sps h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sps h LYS 52 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sps h LYS 52 CO 0.00 0.72 0.00 0.41 -2.27 0.00 0.00 179.45 178.31 1sps n GLY 53 N 1.30 0.94 3.52 5.01 0.00 -0.87 -4.80 105.19 110.29 1sps n GLY 53 Ca -0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1sps n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sps s LEU 54 N 0.00 4.63 0.37 0.99 2.96 -1.26 -2.30 118.68 124.06 1sps s LEU 54 Ca 0.00 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1sps s LEU 54 Cb 0.00 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1sps s LEU 54 CO 0.00 -0.43 0.16 0.54 -1.32 0.00 0.00 176.35 175.31 1sps s ASN 55 N 1.76 2.27 -0.12 3.68 2.20 0.15 -5.00 114.94 119.88 1sps s ASN 55 Ca 0.11 -1.66 -0.01 0.00 -0.94 0.00 0.00 52.86 50.37 1sps s ASN 55 Cb -0.17 0.48 0.03 0.00 -2.00 0.00 0.00 41.25 39.59 1sps s ASN 55 CO 0.12 -0.94 -0.06 -0.69 -2.94 0.00 0.00 177.10 172.59 1sps s VAL 56 N -3.35 0.96 -0.16 3.54 1.01 -1.26 -1.03 120.40 120.10 1sps s VAL 56 Ca 0.30 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1sps s VAL 56 Cb 0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1sps s VAL 56 CO 0.18 0.30 0.13 -0.54 0.00 0.00 0.00 175.10 175.17 1sps s LYS 57 N 1.73 3.80 -0.22 2.72 -0.14 -0.20 -4.96 119.74 122.46 1sps s LYS 57 Ca 0.04 -0.18 -0.03 0.00 -1.36 0.00 0.00 55.97 54.44 1sps s LYS 57 Cb -0.13 -3.29 -0.00 0.00 -1.68 0.00 0.00 37.83 32.72 1sps s LYS 57 CO -0.08 0.54 -0.05 -1.01 -0.76 0.00 0.00 175.35 173.99 1sps s HIS 58 N -0.35 2.96 -0.15 3.18 3.76 -1.26 -1.02 115.29 122.41 1sps s HIS 58 Ca 0.11 -1.07 -0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1sps s HIS 58 Cb -0.12 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 1sps s HIS 58 CO 0.01 -0.59 -0.04 0.71 -0.85 0.00 0.00 174.74 173.98 1sps s TYR 59 N 1.45 3.02 -0.15 1.40 1.51 -0.49 -4.96 117.35 119.13 1sps s TYR 59 Ca 0.05 -0.28 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 1sps s TYR 59 Cb -0.15 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1sps s TYR 59 CO -0.04 -0.02 0.71 0.21 -1.11 0.00 0.00 175.55 175.30 1sps s LYS 60 N 0.31 4.30 -0.00 -0.62 2.20 -1.26 -0.84 119.74 123.83 1sps s LYS 60 Ca -0.04 0.81 -0.19 0.00 -0.36 0.00 0.00 55.97 56.19 1sps s LYS 60 Cb -0.14 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1sps s LYS 60 CO 0.03 -0.18 0.53 0.42 -0.36 0.00 0.00 175.35 175.80 1sps s ILE 61 N 1.65 4.93 0.27 5.43 1.01 0.51 -4.61 121.20 130.40 1sps s ILE 61 Ca 0.34 1.11 0.10 0.00 0.00 0.00 0.00 60.65 62.20 1sps s ILE 61 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1sps s ILE 61 CO 0.13 0.47 -0.03 -0.13 0.00 0.00 0.00 174.94 175.37 1sps s ARG 62 N -0.45 2.18 -0.32 2.79 0.52 -0.36 -0.83 118.95 122.49 1sps s ARG 62 Ca 0.28 -1.49 -0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1sps s ARG 62 Cb -0.18 -2.09 0.04 0.00 0.52 0.00 0.00 34.95 33.24 1sps s ARG 62 CO 0.16 0.35 0.06 0.21 0.02 0.00 0.00 175.30 176.09 1sps s LYS 63 N -3.65 2.62 -0.12 3.54 2.47 -1.26 -1.80 119.74 121.54 1sps s LYS 63 Ca 0.31 -1.16 -0.29 0.00 -1.56 0.00 0.00 55.97 53.27 1sps s LYS 63 Cb -0.06 -3.34 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 1sps s LYS 63 CO 0.19 -0.61 1.35 -1.17 0.16 0.00 0.00 175.35 175.27 1sps s LEU 64 N 1.36 4.23 0.27 5.43 1.98 0.33 -4.93 118.68 127.35 1sps s LEU 64 Ca -0.02 1.85 0.00 0.00 -2.89 0.00 0.00 54.13 53.07 1sps s LEU 64 Cb -0.19 -3.54 0.60 0.00 0.66 0.00 0.00 46.19 43.71 1sps s LEU 64 CO 0.01 -0.78 1.73 -2.24 -1.89 0.00 0.00 176.35 173.19 1sps h ASP 65 N 8.39 0.42 -3.70 3.68 2.03 -1.98 -3.10 116.42 122.17 1sps h ASP 65 Ca -0.31 0.12 -0.69 0.00 -0.73 0.00 0.00 57.03 55.42 1sps h ASP 65 Cb 1.13 0.06 -0.35 0.00 -0.83 0.00 0.00 39.33 39.34 1sps h ASP 65 CO 0.95 0.12 -0.51 -0.44 -1.03 0.00 0.00 179.24 178.34 1sps s SER 66 N -5.32 5.19 0.00 4.15 0.01 -1.26 -4.97 113.70 111.49 1sps s SER 66 Ca -0.12 -2.30 0.00 0.00 1.31 0.00 0.00 55.95 54.84 1sps s SER 66 Cb 0.23 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1sps s SER 66 CO 0.78 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1sps n GLY 67 N 4.22 0.38 0.00 3.44 0.00 -1.17 -5.13 105.19 106.93 1sps n GLY 67 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1sps n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sps n GLY 68 N 0.00 4.66 3.48 -0.02 0.00 -1.26 -4.75 105.19 107.30 1sps n GLY 68 Ca 0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1sps n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sps s PHE 69 N 3.76 2.86 0.01 1.61 0.40 -0.29 -0.51 117.98 125.82 1sps s PHE 69 Ca 0.00 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1sps s PHE 69 Cb 0.00 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 1sps s PHE 69 CO 0.00 0.06 0.06 1.52 0.70 0.00 0.00 175.22 177.56 1sps s TYR 70 N -0.22 0.14 -0.15 0.36 1.13 -0.75 0.24 117.35 118.11 1sps s TYR 70 Ca 0.02 -0.31 0.15 0.00 -1.41 0.00 0.00 57.07 55.51 1sps s TYR 70 Cb -0.13 -0.11 -0.24 0.00 -1.10 0.00 0.00 41.96 40.38 1sps s TYR 70 CO 0.03 -0.23 0.27 -0.89 -2.51 0.00 0.00 175.55 172.22 1sps n ILE 71 N 1.58 1.48 0.00 -3.49 5.41 -1.26 -1.22 119.36 121.87 1sps n ILE 71 Ca -0.23 -0.82 0.00 0.00 1.00 0.00 0.00 62.75 62.70 1sps n ILE 71 Cb 0.55 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 1sps n ILE 71 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1sps n THR 72 N -2.90 0.00 0.00 1.39 -2.24 -1.26 -4.95 114.28 104.32 1sps n THR 72 Ca -0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1sps n THR 72 Cb 1.11 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1sps n THR 72 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sps n SER 73 N -1.60 0.00 0.20 3.42 7.64 -1.26 -4.72 113.62 117.30 1sps n SER 73 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1sps n SER 73 Cb 0.23 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.60 -4.30 1.43 3.08 -2.01 -3.36 114.38 108.62 1sps h ARG 74 Ca 0.00 0.04 -0.74 0.00 0.07 0.00 0.00 59.98 59.35 1sps h ARG 74 Cb 0.00 0.14 -0.23 0.00 0.08 0.00 0.00 29.97 29.96 1sps h ARG 74 CO 0.00 -0.40 0.06 0.99 -1.07 0.00 0.00 179.97 179.55 1sps s THR 75 N -6.05 5.15 0.21 2.04 2.01 -1.26 -5.05 115.64 112.68 1sps s THR 75 Ca -0.16 -1.59 0.05 0.00 0.31 0.00 0.00 61.69 60.30 1sps s THR 75 Cb 0.06 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1sps s THR 75 CO 0.64 -1.05 0.21 -1.10 -0.69 0.00 0.00 174.62 172.63 1sps s GLN 76 N 1.68 3.06 0.03 4.92 -0.21 -1.26 -4.12 119.66 123.76 1sps s GLN 76 Ca 0.12 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1sps s GLN 76 Cb -0.21 -2.69 -0.02 0.00 1.00 0.00 0.00 33.01 31.09 1sps s GLN 76 CO -0.00 0.45 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.50 1sps s PHE 77 N -1.93 0.52 0.39 0.91 0.08 0.14 -4.95 117.98 113.13 1sps s PHE 77 Ca 0.33 -0.49 0.11 0.00 0.12 0.00 0.00 56.93 56.99 1sps s PHE 77 Cb -0.09 -0.32 0.90 0.00 -0.57 0.00 0.00 43.02 42.93 1sps s PHE 77 CO 0.25 -0.12 1.93 0.77 -0.10 0.00 0.00 175.22 177.95 1sps h SER 78 N 4.62 0.54 -5.66 1.36 0.02 -1.94 -0.75 113.55 111.74 1sps h SER 78 Ca -0.34 0.02 0.27 0.00 -0.84 0.00 0.00 61.79 60.90 1sps h SER 78 Cb 1.20 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 1sps h SER 78 CO 0.41 0.30 0.76 -0.94 -1.14 0.00 0.00 176.83 176.22 1sps s SER 79 N -6.02 -0.02 0.49 3.07 1.04 -1.26 -4.80 113.70 106.21 1sps s SER 79 Ca -0.09 -0.34 0.27 0.00 0.48 0.00 0.00 55.95 56.26 1sps s SER 79 Cb 0.21 0.28 1.26 0.00 0.10 0.00 0.00 66.02 67.87 1sps s SER 79 CO 0.77 -0.55 1.98 -0.07 0.98 0.00 0.00 173.24 176.35 1sps h LEU 80 N 2.00 0.00 0.45 2.42 3.38 -1.96 -2.74 115.31 118.86 1sps h LEU 80 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1sps h LEU 80 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1sps h LEU 80 CO 0.32 0.16 -0.22 1.56 0.09 0.00 0.00 178.44 180.35 1sps h GLN 81 N 0.00 -0.58 0.00 1.13 7.50 -1.99 -0.75 115.11 120.42 1sps h GLN 81 Ca -0.00 0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.15 1sps h GLN 81 Cb 0.49 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 1sps h GLN 81 CO 0.02 -0.34 -0.17 0.37 -1.50 0.00 0.00 178.83 177.21 1sps h GLN 82 N -0.71 0.00 0.19 1.46 5.75 -1.94 -0.95 115.11 118.91 1sps h GLN 82 Ca -0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1sps h GLN 82 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1sps h GLN 82 CO 0.10 0.17 -0.09 1.25 -2.65 0.00 0.00 178.83 177.61 1sps h LEU 83 N 0.00 -0.22 -0.64 -2.39 7.12 -1.36 0.11 115.31 117.92 1sps h LEU 83 Ca -0.00 -0.09 -0.13 0.00 0.13 0.00 0.00 57.88 57.78 1sps h LEU 83 Cb 0.82 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 1sps h LEU 83 CO 0.02 -0.04 -0.34 0.58 -0.13 0.00 0.00 178.44 178.53 1sps h VAL 84 N -0.39 1.29 -0.33 1.05 2.07 -1.06 -2.91 116.25 115.96 1sps h VAL 84 Ca -0.03 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1sps h VAL 84 Cb 0.30 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1sps h VAL 84 CO 0.04 0.48 0.18 0.00 0.02 0.00 0.00 177.57 178.30 1sps h ALA 85 N 1.04 0.41 0.16 1.67 0.00 -1.05 -2.12 119.26 119.38 1sps h ALA 85 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sps h ALA 85 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sps h ALA 85 CO 0.07 -0.18 -0.08 -0.92 0.00 0.00 0.00 179.25 178.14 1sps h TYR 86 N 0.37 -0.20 0.00 0.00 3.20 -0.68 -2.53 116.97 117.14 1sps h TYR 86 Ca 0.13 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1sps h TYR 86 Cb 0.02 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1sps h TYR 86 CO -0.08 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.13 1sps n TYR 87 N -5.10 0.37 0.09 -3.82 4.01 -1.11 -0.60 117.16 111.01 1sps n TYR 87 Ca -0.09 0.13 -0.04 0.00 -0.16 0.00 0.00 57.90 57.75 1sps n TYR 87 Cb 0.18 -0.71 0.16 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 0.25 0.00 7.72 0.02 -1.02 0.40 113.55 120.92 1sps h SER 88 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1sps h SER 88 Cb 0.40 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1sps h SER 88 CO 0.00 0.73 0.00 0.29 -1.14 0.00 0.00 176.83 176.71 1sps n LYS 89 N -3.93 0.00 -2.59 3.45 5.02 -0.43 -4.44 118.16 115.24 1sps n LYS 89 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 1sps n LYS 89 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1sps n LYS 89 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1sps n HIS 90 N -0.17 4.63 -0.69 2.13 -0.00 0.23 -4.94 115.22 116.41 1sps n HIS 90 Ca 0.00 -2.94 -0.39 0.00 0.46 0.00 0.00 57.72 54.85 1sps n HIS 90 Cb 0.00 -2.54 -0.08 0.00 -0.12 0.00 0.00 29.99 27.25 1sps n HIS 90 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1sps n ALA 91 N 7.68 1.94 -2.66 1.57 0.00 -1.25 -4.50 120.51 123.29 1sps n ALA 91 Ca 0.47 -2.61 -0.43 0.00 0.00 0.00 0.00 53.44 50.86 1sps n ALA 91 Cb 0.45 -3.55 -0.07 0.00 0.00 0.00 0.00 19.45 16.28 1sps n ALA 91 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1sps s ASP 92 N 5.90 6.22 0.00 0.00 1.47 -1.26 -4.06 116.67 124.94 1sps s ASP 92 Ca 0.57 -0.81 0.00 0.00 1.18 0.00 0.00 52.55 53.48 1sps s ASP 92 Cb 0.13 -2.26 0.00 0.00 -0.34 0.00 0.00 42.92 40.45 1sps s ASP 92 CO 0.21 -0.76 0.00 0.61 0.68 0.00 0.00 175.17 175.92 1sps n GLY 93 N 5.14 1.22 3.80 2.12 0.00 -1.26 -5.06 105.19 111.15 1sps n GLY 93 Ca -0.07 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1sps n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sps s LEU 94 N 0.00 3.22 0.48 0.99 1.02 -1.26 -4.94 118.68 118.20 1sps s LEU 94 Ca 0.00 1.76 0.32 0.00 0.02 0.00 0.00 54.13 56.23 1sps s LEU 94 Cb 0.00 -4.52 1.67 0.00 0.02 0.00 0.00 46.19 43.36 1sps s LEU 94 CO 0.00 -1.54 1.99 0.00 0.02 0.00 0.00 176.35 176.81 1sps n HIS 96 N -2.68 0.00 -2.17 0.00 -0.00 -1.26 -4.99 115.22 104.11 1sps n HIS 96 Ca -0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.32 1sps n HIS 96 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.09 1sps n HIS 96 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1sps s ARG 97 N -2.00 4.03 -0.66 1.57 3.52 -1.26 -4.92 118.95 119.23 1sps s ARG 97 Ca 0.00 2.02 -0.27 0.00 -0.13 0.00 0.00 55.73 57.34 1sps s ARG 97 Cb 0.00 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1sps s ARG 97 CO 0.00 -0.39 1.30 -0.51 -0.81 0.00 0.00 175.30 174.88 1sps s LEU 98 N -2.41 3.28 0.00 -0.88 1.43 0.13 -4.23 118.68 116.01 1sps s LEU 98 Ca 0.56 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1sps s LEU 98 Cb -0.35 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1sps s LEU 98 CO 0.44 -1.74 0.00 0.35 0.23 0.00 0.00 176.35 175.63 1sps n THR 99 N 6.56 0.00 -3.87 5.49 -2.24 -0.89 -4.30 114.28 115.04 1sps n THR 99 Ca 0.07 0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 62.06 1sps n THR 99 Cb 0.49 -1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.38 0.02 0.24 3.42 2.47 -1.26 -4.97 114.94 112.48 1sps s ASN 100 Ca 0.00 -0.22 -0.31 0.00 0.42 0.00 0.00 52.86 52.75 1sps s ASN 100 Cb 0.00 0.22 -0.14 0.00 -1.45 0.00 0.00 41.25 39.88 1sps s ASN 100 CO 0.00 -0.39 1.39 0.52 -3.72 0.00 0.00 177.10 174.89 1sps n VAL 101 N 1.35 0.95 -1.79 -5.21 0.31 -1.26 -2.37 118.33 110.31 1sps n VAL 101 Ca -0.22 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.44 1sps n VAL 101 Cb 0.56 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.03 1sps n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sps s PRO 103 N 6.05 4.16 0.00 0.00 0.02 -1.26 -5.02 135.00 138.95 1sps s PRO 103 Ca 0.91 2.51 0.06 0.00 0.02 0.00 0.00 61.00 64.50 1sps s PRO 103 Cb -0.28 -3.45 0.36 0.00 0.02 0.00 0.00 34.50 31.16 1sps s PRO 103 CO 0.34 -0.77 0.83 2.41 -0.33 0.00 0.00 177.00 179.48