#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 0.00 -0.23 0.00 4.71 -1.26 -4.42 120.64 119.44 1sps n GLU 3 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 1sps n GLU 3 Cb 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 31.44 30.72 1sps n GLU 3 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1sps n GLU 4 N 0.00 -0.05 -0.00 3.49 1.02 -1.26 -1.72 120.64 122.12 1sps n GLU 4 Ca 0.00 0.98 0.08 0.00 -0.02 0.00 0.00 57.16 58.19 1sps n GLU 4 Cb 0.00 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 29.69 1sps n GLU 4 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1sps n TRP 5 N -4.74 0.00 -2.69 -0.32 4.27 -1.26 -4.88 117.44 107.83 1sps n TRP 5 Ca 0.20 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.38 1sps n TRP 5 Cb 0.68 -0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.60 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 -2.54 2.81 -2.39 -2.67 5.04 -0.70 -0.99 117.35 115.90 1sps s TYR 6 Ca 0.06 0.50 0.27 0.00 -2.44 0.00 0.00 57.07 55.46 1sps s TYR 6 Cb 0.12 -4.28 0.87 0.00 0.35 0.00 0.00 41.96 39.03 1sps s TYR 6 CO 0.67 -1.28 1.64 1.19 -1.34 0.00 0.00 175.55 176.43 1sps n PHE 7 N 7.70 0.00 -4.04 4.97 3.01 0.25 -4.94 117.46 124.41 1sps n PHE 7 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1sps n PHE 7 Cb 0.49 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 1.23 0.15 2.75 1.37 0.00 -1.25 -4.29 105.19 105.14 1sps n GLY 8 Ca 0.17 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 7.68 3.84 -4.20 1.61 5.02 -1.26 -1.35 118.16 129.50 1sps n LYS 9 Ca 0.00 -3.44 -0.26 0.00 -2.02 0.00 0.00 58.31 52.59 1sps n LYS 9 Cb 0.00 -2.86 -0.08 0.00 -0.02 0.00 0.00 35.03 32.07 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 0.14 3.76 0.49 -0.18 -4.36 -1.26 -4.98 121.20 114.80 1sps s ILE 10 Ca 0.44 -1.42 -0.20 0.00 -0.26 0.00 0.00 60.65 59.21 1sps s ILE 10 Cb 0.12 -2.89 -0.09 0.00 1.25 0.00 0.00 42.46 40.85 1sps s ILE 10 CO -0.02 -0.12 1.02 0.42 0.24 0.00 0.00 174.94 176.48 1sps s THR 11 N -1.75 3.93 0.29 8.37 -4.23 -1.26 -4.59 115.64 116.39 1sps s THR 11 Ca 0.28 1.17 0.03 0.00 -1.18 0.00 0.00 61.69 61.98 1sps s THR 11 Cb -0.09 -3.48 0.31 0.00 1.34 0.00 0.00 72.50 70.57 1sps s THR 11 CO 0.19 -0.29 1.65 -0.09 -0.54 0.00 0.00 174.62 175.54 1sps h ARG 12 N 1.51 0.23 -0.37 3.99 2.43 -1.99 -1.25 114.38 118.93 1sps h ARG 12 Ca -0.49 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1sps h ARG 12 Cb 1.21 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1sps h ARG 12 CO 0.59 0.15 0.19 0.00 -1.51 0.00 0.00 179.97 179.39 1sps h ARG 13 N 0.24 0.37 -0.25 0.20 3.08 -2.00 -1.62 114.38 114.40 1sps h ARG 13 Ca 0.56 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.46 1sps h ARG 13 Cb 1.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1sps h ARG 13 CO -0.63 0.25 -0.40 1.49 -1.07 0.00 0.00 179.97 179.61 1sps h GLU 14 N 0.39 0.59 -0.61 0.04 4.57 -1.64 -2.14 114.58 115.77 1sps h GLU 14 Ca 0.15 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 1sps h GLU 14 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1sps h GLU 14 CO -0.10 0.89 0.08 0.66 -1.18 0.00 0.00 179.01 179.35 1sps h SER 15 N 0.48 0.98 -0.66 1.04 4.64 -1.01 0.35 113.55 119.38 1sps h SER 15 Ca 0.04 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 1sps h SER 15 Cb 0.90 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1sps h SER 15 CO 0.08 1.01 0.14 -0.33 -0.87 0.00 0.00 176.83 176.86 1sps h GLU 16 N 0.93 1.08 -0.92 4.77 5.08 -1.20 0.21 114.58 124.52 1sps h GLU 16 Ca 0.18 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1sps h GLU 16 Cb 0.46 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1sps h GLU 16 CO 0.02 0.96 0.58 -0.09 -1.00 0.00 0.00 179.01 179.48 1sps h ARG 17 N 1.02 1.03 0.01 2.33 2.43 -0.78 0.67 114.38 121.08 1sps h ARG 17 Ca 0.21 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.10 1sps h ARG 17 Cb 0.38 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1sps h ARG 17 CO 0.01 0.68 -1.03 -0.07 -1.51 0.00 0.00 179.97 178.05 1sps h LEU 18 N 1.06 0.03 0.00 3.80 3.38 -0.50 -3.36 115.31 119.72 1sps h LEU 18 Ca 0.40 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 58.14 1sps h LEU 18 Cb 0.18 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1sps h LEU 18 CO -0.18 1.02 -1.41 -0.07 0.09 0.00 0.00 178.44 177.90 1sps h LEU 19 N 0.00 0.00 -0.28 1.67 4.07 -0.10 -3.35 115.31 117.33 1sps h LEU 19 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1sps h LEU 19 Cb 1.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.53 1sps h LEU 19 CO 0.13 0.73 0.00 0.18 -1.08 0.00 0.00 178.44 178.41 1sps n LEU 20 N -3.00 0.22 -4.65 1.67 4.32 0.19 -4.81 117.00 110.94 1sps n LEU 20 Ca -0.10 -0.11 -0.42 0.00 -0.02 0.00 0.00 56.01 55.35 1sps n LEU 20 Cb 0.91 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 42.57 1sps n LEU 20 CO 0.44 0.06 1.51 0.21 -1.22 0.00 0.00 177.39 178.39 1sps s ASN 21 N -0.93 6.45 0.00 -1.43 3.84 -1.26 -4.88 114.94 116.74 1sps s ASN 21 Ca 0.00 2.37 0.12 0.00 0.21 0.00 0.00 52.86 55.56 1sps s ASN 21 Cb 0.00 -2.53 0.67 0.00 -0.55 0.00 0.00 41.25 38.84 1sps s ASN 21 CO 0.00 -1.09 1.23 -0.81 -2.79 0.00 0.00 177.10 173.64 1sps n PRO 22 N 7.49 0.28 0.00 0.43 -0.04 -1.26 -1.54 135.00 140.36 1sps n PRO 22 Ca 0.20 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1sps n PRO 22 Cb 0.42 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1sps n PRO 22 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sps n GLU 23 N -1.14 2.15 -2.56 0.54 0.28 -1.26 -4.90 120.64 113.76 1sps n GLU 23 Ca 0.08 -1.83 -0.42 0.00 -0.16 0.00 0.00 57.16 54.83 1sps n GLU 23 Cb 0.07 -1.44 -0.03 0.00 1.43 0.00 0.00 31.44 31.47 1sps n GLU 23 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1sps s ASN 24 N -1.94 7.19 0.85 -1.84 0.01 -0.59 -5.03 114.94 113.60 1sps s ASN 24 Ca 0.26 1.81 -0.12 0.00 -0.71 0.00 0.00 52.86 54.10 1sps s ASN 24 Cb 0.19 -2.57 0.10 0.00 0.41 0.00 0.00 41.25 39.38 1sps s ASN 24 CO 0.30 -0.41 1.12 -2.65 -1.51 0.00 0.00 177.10 173.94 1sps n PRO 25 N 4.25 -0.08 -2.12 -0.60 -0.02 -1.26 -4.96 135.00 130.21 1sps n PRO 25 Ca 0.08 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 1sps n PRO 25 Cb 0.48 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1sps n PRO 25 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1sps s ARG 26 N -4.23 4.35 0.00 -0.52 3.52 -1.26 -2.86 118.95 117.94 1sps s ARG 26 Ca 0.70 2.18 0.00 0.00 -0.13 0.00 0.00 55.73 58.48 1sps s ARG 26 Cb -0.27 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1sps s ARG 26 CO 0.55 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 1sps n GLY 27 N 1.62 0.64 3.76 8.12 0.00 0.13 -4.64 105.19 114.83 1sps n GLY 27 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 2.44 0.18 2.61 2.01 -1.14 -1.29 115.64 118.28 1sps s THR 28 Ca 0.00 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 1sps s THR 28 Cb 0.00 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1sps s THR 28 CO 0.00 0.03 0.28 0.72 -0.69 0.00 0.00 174.62 174.96 1sps s PHE 29 N -1.31 0.53 0.10 4.92 -0.71 -0.33 -1.08 117.98 120.11 1sps s PHE 29 Ca 0.63 -0.88 -0.17 0.00 -1.04 0.00 0.00 56.93 55.47 1sps s PHE 29 Cb -0.38 -0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.35 1sps s PHE 29 CO 0.48 -0.75 0.41 -0.48 -1.34 0.00 0.00 175.22 173.54 1sps s LEU 30 N -3.01 0.37 -0.15 -1.99 0.05 -1.03 -1.71 118.68 111.21 1sps s LEU 30 Ca 0.22 -0.21 -0.01 0.00 0.05 0.00 0.00 54.13 54.19 1sps s LEU 30 Cb 0.03 1.83 -0.01 0.00 -2.05 0.00 0.00 46.19 45.99 1sps s LEU 30 CO 0.04 -0.80 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.23 1sps s VAL 31 N -3.38 3.02 0.31 1.48 1.01 -0.16 -1.84 120.40 120.84 1sps s VAL 31 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1sps s VAL 31 Cb 0.01 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1sps s VAL 31 CO -0.09 0.51 0.12 -2.11 0.00 0.00 0.00 175.10 173.53 1sps n ARG 32 N 3.77 0.65 -2.77 2.72 1.85 -0.85 -0.58 116.66 121.46 1sps n ARG 32 Ca -0.18 -2.65 -0.29 0.00 -1.00 0.00 0.00 57.85 53.72 1sps n ARG 32 Cb 0.52 1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 33.37 1sps n ARG 32 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1sps s GLU 33 N -3.19 3.69 -0.15 2.89 2.02 -0.46 -1.57 118.70 121.93 1sps s GLU 33 Ca 0.16 0.38 -0.25 0.00 0.02 0.00 0.00 54.97 55.28 1sps s GLU 33 Cb 0.01 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1sps s GLU 33 CO 0.12 -0.10 0.82 0.45 0.02 0.00 0.00 175.26 176.57 1sps s SER 34 N -3.49 6.97 0.31 -0.19 0.15 -0.20 -4.59 113.70 112.65 1sps s SER 34 Ca 0.50 1.18 0.04 0.00 0.70 0.00 0.00 55.95 58.37 1sps s SER 34 Cb -0.10 -2.45 0.50 0.00 -1.71 0.00 0.00 66.02 62.25 1sps s SER 34 CO 0.36 -0.36 1.78 -0.33 1.20 0.00 0.00 173.24 175.89 1sps h GLU 35 N 7.26 0.44 0.00 5.44 5.08 -1.89 -3.32 114.58 127.59 1sps h GLU 35 Ca -0.31 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 57.69 1sps h GLU 35 Cb 1.14 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1sps h GLU 35 CO 0.82 0.62 -1.47 1.15 -1.00 0.00 0.00 179.01 179.14 1sps h THR 36 N 0.40 0.73 -3.41 1.13 2.02 -1.96 -3.44 112.91 108.38 1sps h THR 36 Ca 0.07 -2.38 -0.57 0.00 0.77 0.00 0.00 66.41 64.30 1sps h THR 36 Cb 0.57 2.26 -0.39 0.00 -1.74 0.00 0.00 68.15 68.85 1sps h THR 36 CO 0.04 0.42 -0.77 -0.89 0.37 0.00 0.00 175.52 174.68 1sps s THR 37 N -2.78 1.02 -0.17 3.16 2.01 -1.25 -5.08 115.64 112.56 1sps s THR 37 Ca -0.03 -1.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.71 1sps s THR 37 Cb 0.08 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1sps s THR 37 CO 0.81 -0.25 0.87 -0.54 -0.69 0.00 0.00 174.62 174.83 1sps s LYS 38 N 1.61 4.31 0.00 4.92 1.02 -1.26 -2.66 119.74 127.68 1sps s LYS 38 Ca -0.01 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1sps s LYS 38 Cb -0.18 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1sps s LYS 38 CO -0.10 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1sps n GLY 39 N 3.41 1.97 3.83 -3.33 0.00 -1.26 -5.10 105.19 104.70 1sps n GLY 39 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.19 3.74 0.35 4.61 0.00 -1.09 -4.74 121.76 122.44 1sps s ALA 40 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1sps s ALA 40 Cb 0.00 -1.68 0.05 0.00 0.00 0.00 0.00 23.12 21.50 1sps s ALA 40 CO 0.00 0.73 0.44 0.66 0.00 0.00 0.00 175.76 177.59 1sps n TYR 41 N 0.92 -2.28 -3.84 0.00 4.02 -0.57 -1.03 117.16 114.38 1sps n TYR 41 Ca -0.11 -1.30 -0.12 0.00 -0.01 0.00 0.00 57.90 56.36 1sps n TYR 41 Cb 0.52 -0.32 -0.11 0.00 -0.02 0.00 0.00 39.34 39.41 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 -0.71 3.68 -0.34 0.00 2.96 -0.05 -2.00 118.68 122.21 1sps s LEU 43 Ca -0.08 -0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 52.73 1sps s LEU 43 Cb -0.05 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1sps s LEU 43 CO 0.01 -0.21 0.18 -0.44 -1.32 0.00 0.00 176.35 174.58 1sps s SER 44 N 1.35 5.66 -0.12 3.68 0.01 -0.77 -0.70 113.70 122.82 1sps s SER 44 Ca -0.01 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 1sps s SER 44 Cb -0.18 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1sps s SER 44 CO -0.01 -0.26 -0.04 -0.69 0.41 0.00 0.00 173.24 172.65 1sps s VAL 45 N 1.61 3.95 0.07 3.43 1.01 -0.45 -2.47 120.40 127.55 1sps s VAL 45 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1sps s VAL 45 Cb -0.18 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 1sps s VAL 45 CO 0.07 0.55 0.54 -0.94 0.00 0.00 0.00 175.10 175.31 1sps s SER 46 N -0.22 6.99 0.28 3.32 1.04 -0.24 -0.69 113.70 124.19 1sps s SER 46 Ca 0.04 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.71 1sps s SER 46 Cb -0.13 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.60 1sps s SER 46 CO 0.02 0.26 0.00 -0.62 0.98 0.00 0.00 173.24 173.89 1sps s ASP 47 N -1.18 2.37 -0.31 7.02 2.15 0.05 -0.69 116.67 126.09 1sps s ASP 47 Ca 0.29 -1.27 -0.02 0.00 0.43 0.00 0.00 52.55 51.98 1sps s ASP 47 Cb -0.18 -0.09 0.11 0.00 -0.30 0.00 0.00 42.92 42.46 1sps s ASP 47 CO 0.18 -0.49 0.18 0.12 -0.17 0.00 0.00 175.17 174.99 1sps s PHE 48 N -3.23 0.27 -0.09 -5.34 5.36 -1.26 -0.96 117.98 112.72 1sps s PHE 48 Ca 0.32 -0.93 -0.21 0.00 -0.96 0.00 0.00 56.93 55.15 1sps s PHE 48 Cb 0.06 -0.82 -0.04 0.00 -0.34 0.00 0.00 43.02 41.88 1sps s PHE 48 CO 0.12 -0.85 0.59 0.34 -1.46 0.00 0.00 175.22 173.96 1sps s ASP 49 N 1.90 6.83 1.11 6.13 2.15 -1.18 -4.97 116.67 128.65 1sps s ASP 49 Ca 0.11 1.00 -0.13 0.00 0.43 0.00 0.00 52.55 53.96 1sps s ASP 49 Cb -0.17 -2.35 0.24 0.00 -0.30 0.00 0.00 42.92 40.34 1sps s ASP 49 CO -0.28 -0.05 0.95 -3.20 -0.17 0.00 0.00 175.17 172.42 1sps n ASN 50 N 3.70 -1.32 0.00 -0.34 2.85 -1.26 -0.56 115.26 118.33 1sps n ASN 50 Ca -0.04 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1sps n ASN 50 Cb 0.51 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.25 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 -4.74 0.00 -0.03 5.20 0.00 -1.26 -4.22 120.51 115.45 1sps n ALA 51 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1sps n ALA 51 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 1sps n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sps n LYS 52 N 0.00 0.84 0.00 0.00 4.01 -1.18 -5.12 118.16 116.72 1sps n LYS 52 Ca 0.00 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.70 1sps n LYS 52 Cb 0.00 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 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 1.71 -1.53 3.65 0.72 0.00 0.27 -4.86 105.19 105.16 1sps n GLY 53 Ca -0.11 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.14 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 2.79 -3.98 0.99 4.32 -1.26 -3.08 117.00 116.78 1sps n LEU 54 Ca 0.00 1.16 -0.11 0.00 -0.02 0.00 0.00 56.01 57.03 1sps n LEU 54 Cb 0.00 -1.39 -0.03 0.00 -1.62 0.00 0.00 43.42 40.39 1sps n LEU 54 CO 0.00 -0.71 0.27 0.54 -1.22 0.00 0.00 177.39 176.27 1sps s ASN 55 N 0.07 0.39 -0.06 -1.43 6.03 -0.14 -4.98 114.94 114.83 1sps s ASN 55 Ca 0.66 -1.23 0.01 0.00 -1.03 0.00 0.00 52.86 51.27 1sps s ASN 55 Cb -0.67 0.70 0.02 0.00 -3.03 0.00 0.00 41.25 38.27 1sps s ASN 55 CO 0.53 -1.37 -0.06 -0.69 -2.03 0.00 0.00 177.10 173.48 1sps s VAL 56 N -3.11 0.71 -0.08 3.54 1.01 -1.26 -0.77 120.40 120.44 1sps s VAL 56 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1sps s VAL 56 Cb -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1sps s VAL 56 CO 0.15 0.27 0.19 -0.54 0.00 0.00 0.00 175.10 175.17 1sps s LYS 57 N 1.03 3.51 -0.07 2.72 -0.14 0.14 -4.92 119.74 122.00 1sps s LYS 57 Ca -0.09 -0.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.47 1sps s LYS 57 Cb -0.14 -3.17 -0.02 0.00 -1.68 0.00 0.00 37.83 32.82 1sps s LYS 57 CO -0.00 0.75 -0.18 -1.01 -0.76 0.00 0.00 175.35 174.14 1sps s HIS 58 N -1.09 2.63 -0.06 3.18 3.76 -1.26 -1.34 115.29 121.10 1sps s HIS 58 Ca 0.19 -0.49 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1sps s HIS 58 Cb -0.13 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1sps s HIS 58 CO 0.08 -0.06 -0.22 0.71 -0.85 0.00 0.00 174.74 174.40 1sps s TYR 59 N -0.24 2.16 -0.11 1.40 1.51 0.12 -4.93 117.35 117.26 1sps s TYR 59 Ca 0.00 -0.69 -0.21 0.00 -1.01 0.00 0.00 57.07 55.17 1sps s TYR 59 Cb -0.13 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1sps s TYR 59 CO 0.03 -0.24 0.59 0.21 -1.11 0.00 0.00 175.55 175.03 1sps s LYS 60 N 0.03 4.36 -0.54 -0.62 2.20 -1.26 -0.87 119.74 123.03 1sps s LYS 60 Ca -0.07 0.65 -0.19 0.00 -0.36 0.00 0.00 55.97 56.00 1sps s LYS 60 Cb -0.14 -3.46 0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1sps s LYS 60 CO 0.04 0.06 0.66 0.42 -0.36 0.00 0.00 175.35 176.17 1sps s ILE 61 N 0.89 4.84 0.34 5.43 1.01 0.12 -4.48 121.20 129.36 1sps s ILE 61 Ca 0.31 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 1sps s ILE 61 Cb -0.16 -4.38 -0.09 0.00 0.01 0.00 0.00 42.46 37.83 1sps s ILE 61 CO 0.13 -0.94 0.80 -0.13 0.00 0.00 0.00 174.94 174.80 1sps s ARG 62 N 2.69 4.10 0.10 2.79 1.81 -0.69 -1.52 118.95 128.24 1sps s ARG 62 Ca 0.14 0.83 0.07 0.00 -1.72 0.00 0.00 55.73 55.04 1sps s ARG 62 Cb -0.21 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 1sps s ARG 62 CO 0.10 0.13 -0.08 0.21 -0.68 0.00 0.00 175.30 174.98 1sps s LYS 63 N -2.92 2.22 0.20 3.54 2.20 -1.26 -1.98 119.74 121.73 1sps s LYS 63 Ca 0.55 -0.98 0.06 0.00 -0.36 0.00 0.00 55.97 55.24 1sps s LYS 63 Cb -0.11 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 1sps s LYS 63 CO 0.17 0.52 0.14 -0.51 -0.36 0.00 0.00 175.35 175.30 1sps s LEU 64 N -2.21 3.75 0.53 5.43 2.01 0.24 -4.95 118.68 123.47 1sps s LEU 64 Ca 0.22 -0.21 0.34 0.00 0.01 0.00 0.00 54.13 54.49 1sps s LEU 64 Cb -0.11 -2.33 1.48 0.00 0.01 0.00 0.00 46.19 45.23 1sps s LEU 64 CO 0.14 0.03 2.00 0.44 1.01 0.00 0.00 176.35 179.98 1sps h ASP 65 N 2.11 0.00 0.34 2.29 3.32 -2.00 0.75 116.42 123.23 1sps h ASP 65 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1sps h ASP 65 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1sps h ASP 65 CO 0.62 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.60 1sps n SER 66 N -2.96 0.00 -0.29 6.45 3.41 -1.26 -4.86 113.62 114.10 1sps n SER 66 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1sps n SER 66 Cb 0.25 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1sps n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sps n GLY 67 N 0.05 0.97 3.13 5.00 0.00 0.25 -5.09 105.19 109.51 1sps n GLY 67 Ca 0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.56 0.72 0.13 -0.02 0.00 -1.22 -4.73 107.32 99.64 1sps s GLY 68 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 44.72 43.77 1sps s GLY 68 CO 0.00 -1.08 -0.05 -1.36 0.00 0.00 0.00 173.10 170.61 1sps s PHE 69 N -1.96 2.81 0.05 1.90 0.40 0.65 -0.59 117.98 121.24 1sps s PHE 69 Ca -0.01 -0.13 -0.25 0.00 -0.60 0.00 0.00 56.93 55.95 1sps s PHE 69 Cb -0.06 -1.43 0.06 0.00 0.51 0.00 0.00 43.02 42.11 1sps s PHE 69 CO 0.00 0.47 0.58 1.52 0.70 0.00 0.00 175.22 178.49 1sps s TYR 70 N -1.43 -0.51 -0.20 0.36 1.13 -0.84 -0.97 117.35 114.90 1sps s TYR 70 Ca 0.24 0.61 0.06 0.00 -1.41 0.00 0.00 57.07 56.57 1sps s TYR 70 Cb -0.10 0.40 -0.16 0.00 -1.10 0.00 0.00 41.96 41.00 1sps s TYR 70 CO 0.16 -0.68 -0.11 -0.89 -2.51 0.00 0.00 175.55 171.52 1sps n ILE 71 N 0.37 1.20 -0.02 -3.49 5.41 -1.26 -1.70 119.36 119.87 1sps n ILE 71 Ca -0.18 -0.54 -0.02 0.00 1.00 0.00 0.00 62.75 63.01 1sps n ILE 71 Cb 0.60 -1.04 -0.04 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.97 0.32 0.00 1.39 5.66 -1.26 -4.93 114.28 112.48 1sps n THR 72 Ca -0.35 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 1sps n THR 72 Cb 0.95 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -2.13 0.00 -0.02 1.09 7.64 -1.26 -4.73 113.62 114.21 1sps n SER 73 Ca -0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1sps n SER 73 Cb 0.61 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.08 -4.88 1.43 3.08 -2.01 -3.41 114.38 108.67 1sps h ARG 74 Ca 0.00 -0.04 -0.65 0.00 0.07 0.00 0.00 59.98 59.35 1sps h ARG 74 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 1sps h ARG 74 CO 0.00 0.57 -0.56 0.99 -1.07 0.00 0.00 179.97 179.90 1sps s THR 75 N -4.16 4.80 0.14 2.04 2.01 -1.26 -5.08 115.64 114.14 1sps s THR 75 Ca -0.16 -0.11 0.10 0.00 0.31 0.00 0.00 61.69 61.83 1sps s THR 75 Cb 0.02 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1sps s THR 75 CO 0.69 0.22 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.52 1sps s GLN 76 N 1.67 1.31 0.02 4.92 -0.21 -1.26 -4.46 119.66 121.65 1sps s GLN 76 Ca 0.06 -1.34 0.04 0.00 0.02 0.00 0.00 55.36 54.14 1sps s GLN 76 Cb -0.16 -1.60 -0.02 0.00 1.00 0.00 0.00 33.01 32.23 1sps s GLN 76 CO 0.07 0.36 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.43 1sps s PHE 77 N -1.44 0.97 -2.24 0.91 0.08 -0.15 -4.96 117.98 111.16 1sps s PHE 77 Ca 0.13 -0.31 0.29 0.00 0.12 0.00 0.00 56.93 57.17 1sps s PHE 77 Cb -0.09 -0.59 1.46 0.00 -0.57 0.00 0.00 43.02 43.24 1sps s PHE 77 CO 0.06 -0.00 1.98 -1.13 -0.10 0.00 0.00 175.22 176.03 1sps n SER 78 N 2.13 0.73 -3.68 1.36 3.41 -1.26 -0.25 113.62 116.06 1sps n SER 78 Ca -0.17 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.06 1sps n SER 78 Cb 0.55 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1sps n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sps s SER 79 N -1.98 -0.62 0.29 4.04 0.15 -1.26 -4.80 113.70 109.51 1sps s SER 79 Ca 0.42 1.12 0.08 0.00 0.70 0.00 0.00 55.95 58.27 1sps s SER 79 Cb 0.21 1.07 0.42 0.00 -1.71 0.00 0.00 66.02 66.01 1sps s SER 79 CO 0.35 -0.20 1.66 -0.07 1.20 0.00 0.00 173.24 176.18 1sps h LEU 80 N 6.13 0.17 -1.89 3.45 3.38 -1.98 -2.45 115.31 122.12 1sps h LEU 80 Ca -0.31 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1sps h LEU 80 Cb 1.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1sps h LEU 80 CO 0.20 0.64 -0.10 0.06 0.09 0.00 0.00 178.44 179.33 1sps h GLN 81 N 0.12 0.00 -0.10 1.13 -0.00 -1.99 -1.76 115.11 112.51 1sps h GLN 81 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.56 1sps h GLN 81 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.41 1sps h GLN 81 CO 0.07 0.10 -0.31 0.37 -0.00 0.00 0.00 178.83 179.06 1sps h GLN 82 N 0.00 0.39 -0.41 0.06 4.15 -1.86 -2.12 115.11 115.32 1sps h GLN 82 Ca -0.00 -0.29 0.08 0.00 0.77 0.00 0.00 58.65 59.21 1sps h GLN 82 Cb 0.37 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.04 1sps h GLN 82 CO 0.01 0.91 -0.02 1.25 -1.93 0.00 0.00 178.83 179.05 1sps h LEU 83 N -0.06 -0.20 0.49 -2.39 6.46 -1.17 -0.19 115.31 118.24 1sps h LEU 83 Ca -0.01 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1sps h LEU 83 Cb 0.94 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1sps h LEU 83 CO 0.07 -0.06 -0.24 0.58 -0.62 0.00 0.00 178.44 178.16 1sps h VAL 84 N 0.09 0.50 -0.95 1.05 2.07 -1.31 -1.49 116.25 116.21 1sps h VAL 84 Ca 0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 1sps h VAL 84 Cb 0.29 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1sps h VAL 84 CO -0.35 0.00 0.52 0.00 0.02 0.00 0.00 177.57 177.76 1sps h ALA 85 N -0.16 1.56 0.44 1.67 0.00 -0.90 -1.95 119.26 119.92 1sps h ALA 85 Ca -0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sps h ALA 85 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sps h ALA 85 CO 0.10 -0.18 -0.21 -0.92 0.00 0.00 0.00 179.25 178.04 1sps h TYR 86 N 0.61 -0.55 0.00 0.00 3.20 -0.84 -2.73 116.97 116.66 1sps h TYR 86 Ca 0.57 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1sps h TYR 86 Cb 0.96 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1sps h TYR 86 CO -0.05 -0.23 0.00 0.66 -1.64 0.00 0.00 178.16 176.90 1sps n TYR 87 N -5.21 0.00 -0.00 -3.82 4.01 -0.58 -1.09 117.16 110.46 1sps n TYR 87 Ca -0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.54 1sps n TYR 87 Cb 0.30 -0.30 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.06 0.53 7.72 0.02 -1.14 0.14 113.55 120.88 1sps h SER 88 Ca 0.00 -0.11 -0.29 0.00 -0.84 0.00 0.00 61.79 60.54 1sps h SER 88 Cb 0.05 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1sps h SER 88 CO 0.00 1.10 -1.50 0.50 -1.14 0.00 0.00 176.83 175.79 1sps h LYS 89 N 0.01 0.17 -2.29 3.45 1.63 -0.81 -3.42 116.57 115.32 1sps h LYS 89 Ca -0.25 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.23 1sps h LYS 89 Cb 1.98 0.11 -0.24 0.00 -0.60 0.00 0.00 32.23 33.48 1sps h LYS 89 CO 0.09 1.00 -0.23 -3.38 -3.45 0.00 0.00 179.45 173.49 1sps s HIS 90 N -2.63 -1.00 0.32 1.91 -3.43 -0.99 -5.07 115.29 104.40 1sps s HIS 90 Ca -0.07 1.86 0.10 0.00 -0.80 0.00 0.00 55.06 56.14 1sps s HIS 90 Cb 0.07 0.52 0.93 0.00 -1.43 0.00 0.00 32.58 32.68 1sps s HIS 90 CO 0.84 -0.54 1.67 0.00 -2.00 0.00 0.00 174.74 174.71 1sps h ALA 91 N 7.84 1.71 -6.53 -1.38 0.00 -1.86 -3.39 119.26 115.65 1sps h ALA 91 Ca -0.21 0.19 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1sps h ALA 91 Cb 1.13 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1sps h ALA 91 CO 0.14 -0.49 -0.60 -3.47 0.00 0.00 0.00 179.25 174.83 1sps n ASP 92 N -5.08 -0.29 0.00 0.00 2.03 -1.26 -0.48 116.55 111.47 1sps n ASP 92 Ca 0.28 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1sps n ASP 92 Cb 0.85 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.88 0.81 3.69 0.27 0.00 -1.26 -5.08 105.19 101.74 1sps n GLY 93 Ca -0.16 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 3.01 0.52 0.99 2.96 0.37 -4.87 118.68 121.67 1sps s LEU 94 Ca 0.00 2.24 0.28 0.00 -0.22 0.00 0.00 54.13 56.43 1sps s LEU 94 Cb 0.00 -4.57 1.45 0.00 0.50 0.00 0.00 46.19 43.56 1sps s LEU 94 CO 0.00 -2.80 2.06 0.00 -1.32 0.00 0.00 176.35 174.30 1sps s HIS 96 N -4.13 -0.44 0.80 0.00 5.65 -1.26 -5.10 115.29 110.81 1sps s HIS 96 Ca -0.02 0.94 -0.12 0.00 0.25 0.00 0.00 55.06 56.10 1sps s HIS 96 Cb 0.13 0.40 0.08 0.00 -1.18 0.00 0.00 32.58 32.01 1sps s HIS 96 CO 0.58 -0.29 1.14 -0.98 -0.65 0.00 0.00 174.74 174.54 1sps s ARG 97 N -0.39 1.82 0.06 2.88 1.70 -1.26 -4.85 118.95 118.91 1sps s ARG 97 Ca 0.01 1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 56.46 1sps s ARG 97 Cb -0.03 -1.82 -0.05 0.00 -0.57 0.00 0.00 34.95 32.48 1sps s ARG 97 CO -0.02 -2.02 0.95 -0.51 -1.08 0.00 0.00 175.30 172.62 1sps s LEU 98 N -5.86 4.44 0.00 -1.89 1.43 0.49 -4.61 118.68 112.67 1sps s LEU 98 Ca 0.67 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1sps s LEU 98 Cb -0.23 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1sps s LEU 98 CO 0.52 -0.14 0.24 0.35 0.23 0.00 0.00 176.35 177.55 1sps n THR 99 N 3.26 0.00 -3.64 5.49 -2.24 -0.41 -4.44 114.28 112.30 1sps n THR 99 Ca 0.03 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1sps n THR 99 Cb 0.50 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.41 -0.60 -0.21 3.42 2.47 -1.24 -4.93 114.94 113.44 1sps s ASN 100 Ca 0.00 0.98 -0.23 0.00 0.42 0.00 0.00 52.86 54.03 1sps s ASN 100 Cb 0.00 1.23 -0.02 0.00 -1.45 0.00 0.00 41.25 41.01 1sps s ASN 100 CO 0.00 -0.15 0.73 -0.69 -3.72 0.00 0.00 177.10 173.27 1sps s VAL 101 N 1.33 4.93 0.11 -5.21 1.01 -1.26 -1.18 120.40 120.13 1sps s VAL 101 Ca -0.08 1.40 -0.35 0.00 0.00 0.00 0.00 61.98 62.94 1sps s VAL 101 Cb -0.04 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.16 1sps s VAL 101 CO -0.15 0.03 1.54 0.00 0.00 0.00 0.00 175.10 176.52 1sps n PRO 103 N 3.48 2.36 0.00 0.00 -0.04 -1.26 -5.01 135.00 134.54 1sps n PRO 103 Ca 0.18 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 1sps n PRO 103 Cb 0.26 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1sps n PRO 103 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87