#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cip n GLY -1 N 0.00 3.12 0.57 0.00 0.00 -1.26 -1.90 105.19 105.72 3cip n GLY -1 Ca 0.00 0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.43 3cip n GLY -1 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cip n HIS 0 N 9.25 0.01 -4.43 1.61 8.25 -1.26 -4.95 115.22 123.70 3cip n HIS 0 Ca 0.00 -0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3cip n HIS 0 Cb 0.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 3cip n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3cip s MET 1 N -1.99 1.73 0.17 -0.41 1.00 -0.80 -5.13 119.30 113.86 3cip s MET 1 Ca 0.36 -1.19 0.07 0.00 0.00 0.00 0.00 55.69 54.93 3cip s MET 1 Cb 0.21 -2.06 -0.04 0.00 0.00 0.00 0.00 34.83 32.94 3cip s MET 1 CO 0.33 0.48 -0.14 0.14 0.00 0.00 0.00 175.02 175.83 3cip s VAL 2 N -1.06 1.57 0.09 -6.03 -7.23 -1.26 -0.87 120.40 105.60 3cip s VAL 2 Ca 0.16 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 3cip s VAL 2 Cb -0.10 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 3cip s VAL 2 CO 0.08 -0.52 1.75 -0.69 -0.31 0.00 0.00 175.10 175.40 3cip s VAL 3 N -2.65 2.81 0.00 1.32 1.01 -1.26 -4.85 120.40 116.78 3cip s VAL 3 Ca 0.17 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3cip s VAL 3 Cb -0.02 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3cip s VAL 3 CO 0.05 -0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.53 3cip n GLU 4 N 5.76 4.70 -1.68 2.72 1.02 -1.26 -4.97 120.64 126.93 3cip n GLU 4 Ca 0.17 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.84 3cip n GLU 4 Cb 0.39 -0.47 -0.04 0.00 -0.02 0.00 0.00 31.44 31.30 3cip n GLU 4 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3cip n HIS 5 N -0.83 2.34 -0.12 -0.32 -0.00 -1.26 -4.82 115.22 110.21 3cip n HIS 5 Ca 0.00 0.02 0.15 0.00 0.46 0.00 0.00 57.72 58.35 3cip n HIS 5 Cb 0.00 -2.65 0.53 0.00 -0.12 0.00 0.00 29.99 27.75 3cip n HIS 5 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3cip h PRO 6 N 8.60 0.34 -0.00 1.57 0.11 -1.98 -1.21 132.00 139.43 3cip h PRO 6 Ca -0.48 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 3cip h PRO 6 Cb 1.26 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3cip h PRO 6 CO 0.94 0.23 -0.83 0.93 -0.21 0.00 0.00 178.00 179.05 3cip h GLU 7 N 0.35 0.10 -0.61 1.05 4.39 -1.90 -2.84 114.58 115.11 3cip h GLU 7 Ca 0.33 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 3cip h GLU 7 Cb 0.78 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 3cip h GLU 7 CO -0.09 0.87 0.26 0.74 -1.16 0.00 0.00 179.01 179.63 3cip h PHE 8 N 0.06 0.91 -0.03 4.33 -1.00 -1.61 -2.04 116.94 117.57 3cip h PHE 8 Ca -0.02 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.70 3cip h PHE 8 Cb 1.44 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.73 3cip h PHE 8 CO 0.01 0.71 0.03 -0.07 -1.61 0.00 0.00 178.31 177.39 3cip h LEU 9 N 0.84 0.00 0.00 1.54 3.38 -1.24 -1.35 115.31 118.49 3cip h LEU 9 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3cip h LEU 9 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3cip h LEU 9 CO -0.02 0.00 -0.78 0.11 0.09 0.00 0.00 178.44 177.84 3cip h LYS 10 N 0.00 0.00 -6.47 1.13 1.57 -1.21 -3.48 116.57 108.11 3cip h LYS 10 Ca 0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.26 3cip h LYS 10 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 3cip h LYS 10 CO -0.00 0.00 0.70 0.00 -0.57 0.00 0.00 179.45 179.58 3cip s ALA 11 N -3.28 3.52 -1.05 3.86 0.00 -0.51 -3.90 121.76 120.39 3cip s ALA 11 Ca 0.02 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 3cip s ALA 11 Cb 0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3cip s ALA 11 CO 0.76 -0.64 0.36 0.41 0.00 0.00 0.00 175.76 176.65 3cip n GLY 12 N 3.44 -0.13 0.09 0.00 0.00 -1.26 -4.91 105.19 102.42 3cip n GLY 12 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 3cip n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cip h LYS 13 N -0.83 0.00 -3.74 1.61 1.57 -1.92 -3.48 116.57 109.79 3cip h LYS 13 Ca -0.35 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 3cip h LYS 13 Cb 1.24 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 3cip h LYS 13 CO 0.38 0.66 -0.31 -1.83 -0.57 0.00 0.00 179.45 177.78 3cip s GLU 14 N -2.80 0.90 0.32 3.15 -1.05 -1.26 -5.12 118.70 112.84 3cip s GLU 14 Ca 0.00 -0.92 -0.29 0.00 -0.15 0.00 0.00 54.97 53.61 3cip s GLU 14 Cb 0.09 0.37 -0.12 0.00 -0.44 0.00 0.00 34.13 34.02 3cip s GLU 14 CO 0.80 -0.30 1.36 -2.30 0.95 0.00 0.00 175.26 175.76 3cip n PRO 15 N -0.10 2.19 -1.93 -4.83 -0.02 -1.26 -4.74 135.00 124.31 3cip n PRO 15 Ca -0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3cip n PRO 15 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3cip n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cip n GLY 16 N 1.19 -0.10 3.29 -1.23 0.00 0.07 -4.96 105.19 103.46 3cip n GLY 16 Ca 0.06 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 3cip n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cip s LEU 17 N 0.00 2.25 -0.03 0.99 2.96 -1.26 -0.37 118.68 123.22 3cip s LEU 17 Ca 0.00 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3cip s LEU 17 Cb 0.00 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3cip s LEU 17 CO 0.00 0.21 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.97 3cip s GLN 18 N 0.04 1.55 -0.05 1.98 -0.21 -0.35 -5.01 119.66 117.61 3cip s GLN 18 Ca -0.09 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 54.71 3cip s GLN 18 Cb -0.15 -1.42 0.02 0.00 1.00 0.00 0.00 33.01 32.45 3cip s GLN 18 CO 0.05 0.31 -0.08 0.42 -2.12 0.00 0.00 175.29 173.88 3cip s ILE 19 N -0.20 0.75 0.16 1.08 1.01 -1.26 -0.50 121.20 122.24 3cip s ILE 19 Ca 0.02 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.49 3cip s ILE 19 Cb -0.09 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3cip s ILE 19 CO 0.01 0.26 -0.21 0.26 0.00 0.00 0.00 174.94 175.26 3cip s TRP 20 N 0.70 1.96 -0.06 3.97 0.51 0.29 -1.47 118.94 124.84 3cip s TRP 20 Ca -0.11 -0.43 0.02 0.00 -2.12 0.00 0.00 56.10 53.46 3cip s TRP 20 Cb -0.14 -0.99 -0.03 0.00 -0.81 0.00 0.00 33.47 31.50 3cip s TRP 20 CO 0.01 0.35 -0.11 0.50 -0.51 0.00 0.00 176.95 177.20 3cip s ARG 21 N -2.56 2.62 -0.08 4.98 3.52 0.96 -0.59 118.95 127.80 3cip s ARG 21 Ca 0.15 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 3cip s ARG 21 Cb -0.07 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 3cip s ARG 21 CO 0.07 0.64 1.32 0.08 -0.81 0.00 0.00 175.30 176.60 3cip s VAL 22 N -0.78 4.07 -0.17 7.11 1.01 -0.27 -0.98 120.40 130.40 3cip s VAL 22 Ca 0.12 1.37 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 3cip s VAL 22 Cb -0.11 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.44 3cip s VAL 22 CO 0.01 -0.06 0.01 -1.61 0.00 0.00 0.00 175.10 173.45 3cip s GLU 23 N 2.92 0.82 -1.19 2.72 2.02 0.10 -4.70 118.70 121.40 3cip s GLU 23 Ca 0.59 -0.36 -0.32 0.00 0.02 0.00 0.00 54.97 54.91 3cip s GLU 23 Cb -0.26 -1.89 0.04 0.00 0.10 0.00 0.00 34.13 32.12 3cip s GLU 23 CO 0.21 -0.54 0.70 1.63 0.02 0.00 0.00 175.26 177.29 3cip n LYS 24 N 5.02 -0.44 -1.30 1.61 5.02 -1.26 -1.47 118.16 125.35 3cip n LYS 24 Ca -0.09 0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3cip n LYS 24 Cb 0.48 -2.78 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 3cip n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3cip n PHE 25 N -4.84 0.00 -4.37 2.13 3.01 -1.26 -4.97 117.46 107.16 3cip n PHE 25 Ca -0.11 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.16 3cip n PHE 25 Cb 0.57 -2.12 -0.10 0.00 -0.01 0.00 0.00 39.48 37.82 3cip n PHE 25 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3cip s ASP 26 N -2.69 2.58 -0.36 4.37 2.15 -0.54 -5.12 116.67 117.06 3cip s ASP 26 Ca 0.00 -1.09 -0.10 0.00 0.43 0.00 0.00 52.55 51.79 3cip s ASP 26 Cb 0.00 -0.14 0.02 0.00 -0.30 0.00 0.00 42.92 42.51 3cip s ASP 26 CO 0.00 -0.25 0.18 -0.22 -0.17 0.00 0.00 175.17 174.71 3cip s LEU 27 N -3.36 4.54 -0.13 -1.34 2.96 -1.26 -0.72 118.68 119.38 3cip s LEU 27 Ca 0.25 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 3cip s LEU 27 Cb 0.01 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3cip s LEU 27 CO 0.08 -0.34 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.90 3cip s VAL 28 N 1.54 2.54 0.45 1.68 1.01 -0.15 -4.91 120.40 122.56 3cip s VAL 28 Ca 0.02 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 3cip s VAL 28 Cb -0.19 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 3cip s VAL 28 CO 0.06 0.53 1.33 -2.16 0.00 0.00 0.00 175.10 174.86 3cip s PRO 29 N 0.55 3.72 0.00 2.72 0.04 -1.26 -0.03 135.00 140.75 3cip s PRO 29 Ca -0.11 2.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 3cip s PRO 29 Cb -0.16 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 3cip s PRO 29 CO 0.04 -0.71 0.77 0.08 0.04 0.00 0.00 177.00 177.23 3cip s VAL 30 N -1.28 4.85 0.23 -0.36 1.01 -0.54 -4.76 120.40 119.54 3cip s VAL 30 Ca 0.61 1.63 -0.32 0.00 0.00 0.00 0.00 61.98 63.91 3cip s VAL 30 Cb -0.39 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 31.74 3cip s VAL 30 CO 0.49 0.30 1.39 -2.65 0.00 0.00 0.00 175.10 174.63 3cip n PRO 31 N 3.26 1.93 0.26 2.72 -0.02 -1.26 -4.86 135.00 137.03 3cip n PRO 31 Ca -0.01 0.69 0.08 0.00 -2.02 0.00 0.00 63.50 62.24 3cip n PRO 31 Cb 0.51 -2.33 0.64 0.00 -0.02 0.00 0.00 33.50 32.30 3cip n PRO 31 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3cip h THR 32 N 3.04 0.99 0.00 3.45 1.35 -1.96 1.00 112.91 120.77 3cip h THR 32 Ca -0.45 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3cip h THR 32 Cb 1.28 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3cip h THR 32 CO 0.76 0.01 0.00 -0.46 -0.25 0.00 0.00 175.52 175.58 3cip n ASN 33 N -4.50 0.00 -0.76 5.36 6.94 -1.26 -2.40 115.26 118.64 3cip n ASN 33 Ca -0.03 0.14 0.08 0.00 -0.02 0.00 0.00 54.58 54.75 3cip n ASN 33 Cb 0.10 -0.33 0.14 0.00 -2.36 0.00 0.00 39.78 37.33 3cip n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3cip n LEU 34 N -1.33 2.78 -4.70 -4.53 4.77 0.34 -5.00 117.00 109.33 3cip n LEU 34 Ca 0.07 -1.46 -0.44 0.00 -0.03 0.00 0.00 56.01 54.16 3cip n LEU 34 Cb 0.14 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3cip n LEU 34 CO 0.13 0.60 1.27 -1.22 -1.33 0.00 0.00 177.39 176.84 3cip n TYR 35 N 0.92 2.56 0.00 -1.77 4.02 -1.01 -1.94 117.16 119.94 3cip n TYR 35 Ca 0.13 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 3cip n TYR 35 Cb 0.44 -2.60 0.00 0.00 -0.02 0.00 0.00 39.34 37.16 3cip n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cip n GLY 36 N 3.41 0.91 3.32 2.72 0.00 -1.26 -5.02 105.19 109.27 3cip n GLY 36 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 3cip n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cip s ASP 37 N -2.10 6.26 -0.23 1.61 1.01 -0.82 -0.27 116.67 122.13 3cip s ASP 37 Ca 0.00 -1.87 -0.10 0.00 0.71 0.00 0.00 52.55 51.29 3cip s ASP 37 Cb 0.00 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 3cip s ASP 37 CO 0.00 -0.84 0.13 -0.36 0.21 0.00 0.00 175.17 174.31 3cip s PHE 38 N 1.50 3.29 -0.01 4.23 0.40 -0.27 -4.95 117.98 122.18 3cip s PHE 38 Ca 0.05 0.15 -0.30 0.00 -0.60 0.00 0.00 56.93 56.23 3cip s PHE 38 Cb -0.27 -2.22 -0.06 0.00 0.51 0.00 0.00 43.02 40.98 3cip s PHE 38 CO 0.02 0.06 1.49 -0.06 0.70 0.00 0.00 175.22 177.43 3cip s PHE 39 N 0.92 2.59 -0.48 0.36 0.40 -1.26 -1.38 117.98 119.14 3cip s PHE 39 Ca 0.07 0.61 0.24 0.00 -0.60 0.00 0.00 56.93 57.24 3cip s PHE 39 Cb -0.13 -3.76 0.98 0.00 0.51 0.00 0.00 43.02 40.62 3cip s PHE 39 CO 0.03 -2.95 1.71 0.25 0.70 0.00 0.00 175.22 174.97 3cip n THR 40 N 4.89 0.83 1.23 0.64 -2.24 0.56 -1.85 114.28 118.34 3cip n THR 40 Ca 0.15 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.24 3cip n THR 40 Cb 0.43 -1.17 0.29 0.00 -2.10 0.00 0.00 70.33 67.78 3cip n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cip n GLY 41 N -0.02 0.20 3.44 3.38 0.00 0.00 -0.62 105.19 111.57 3cip n GLY 41 Ca 0.02 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 3cip n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cip s ASP 42 N -1.33 2.25 0.08 1.61 -0.00 -0.77 -3.71 116.67 114.80 3cip s ASP 42 Ca 0.27 -1.40 0.09 0.00 -0.00 0.00 0.00 52.55 51.50 3cip s ASP 42 Cb 0.14 -0.01 -0.03 0.00 -0.00 0.00 0.00 42.92 43.02 3cip s ASP 42 CO 0.20 -0.65 -0.23 0.00 -0.00 0.00 0.00 175.17 174.49 3cip s ALA 43 N -3.35 1.99 0.11 5.23 0.00 -1.26 -1.32 121.76 123.16 3cip s ALA 43 Ca 0.36 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3cip s ALA 43 Cb 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3cip s ALA 43 CO 0.15 0.44 -0.08 0.71 0.00 0.00 0.00 175.76 176.98 3cip s TYR 44 N -0.95 1.01 -0.10 0.00 1.51 -0.15 -1.11 117.35 117.56 3cip s TYR 44 Ca 0.09 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 3cip s TYR 44 Cb -0.10 -0.56 0.01 0.00 -0.11 0.00 0.00 41.96 41.20 3cip s TYR 44 CO 0.03 -0.05 -0.19 0.08 -1.11 0.00 0.00 175.55 174.31 3cip s VAL 45 N -3.15 1.74 -0.12 0.71 1.01 0.25 -0.78 120.40 120.07 3cip s VAL 45 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3cip s VAL 45 Cb 0.02 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3cip s VAL 45 CO -0.02 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.74 3cip s ILE 46 N 0.62 1.86 -0.21 2.22 1.09 0.11 -0.55 121.20 126.34 3cip s ILE 46 Ca -0.14 -0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 58.53 3cip s ILE 46 Cb -0.17 -1.65 0.01 0.00 -1.06 0.00 0.00 42.46 39.60 3cip s ILE 46 CO 0.04 0.51 -0.11 -0.22 -0.10 0.00 0.00 174.94 175.06 3cip s LEU 47 N 0.74 2.63 -0.26 2.97 2.96 0.35 -0.43 118.68 127.63 3cip s LEU 47 Ca -0.10 -0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 3cip s LEU 47 Cb -0.16 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3cip s LEU 47 CO 0.01 -0.03 0.14 -0.75 -1.32 0.00 0.00 176.35 174.40 3cip s LYS 48 N 1.37 3.84 -0.15 1.98 2.47 -0.42 -1.22 119.74 127.62 3cip s LYS 48 Ca 0.04 -0.38 -0.02 0.00 -1.56 0.00 0.00 55.97 54.05 3cip s LYS 48 Cb -0.14 -3.52 -0.02 0.00 -1.46 0.00 0.00 37.83 32.69 3cip s LYS 48 CO -0.08 -0.17 -0.07 0.99 0.16 0.00 0.00 175.35 176.18 3cip s THR 49 N 1.66 3.56 -0.03 3.43 2.01 0.50 -1.78 115.64 124.98 3cip s THR 49 Ca 0.07 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.64 3cip s THR 49 Cb -0.16 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 3cip s THR 49 CO 0.08 0.50 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 3cip s VAL 50 N 0.39 1.39 -0.05 3.82 1.01 -0.15 -0.75 120.40 126.06 3cip s VAL 50 Ca -0.06 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 3cip s VAL 50 Cb -0.15 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3cip s VAL 50 CO 0.04 0.40 0.91 -1.58 0.00 0.00 0.00 175.10 174.87 3cip s GLN 51 N -0.20 4.48 0.62 2.72 0.74 -1.26 0.02 119.66 126.77 3cip s GLN 51 Ca 0.02 1.25 -0.03 0.00 0.05 0.00 0.00 55.36 56.65 3cip s GLN 51 Cb -0.09 -3.49 0.04 0.00 1.10 0.00 0.00 33.01 30.58 3cip s GLN 51 CO 0.01 -0.11 0.89 -0.51 -0.55 0.00 0.00 175.29 175.02 3cip s LEU 52 N 1.29 3.08 0.23 3.68 1.43 0.07 -4.93 118.68 123.54 3cip s LEU 52 Ca 0.47 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3cip s LEU 52 Cb -0.19 -3.04 0.39 0.00 0.03 0.00 0.00 46.19 43.37 3cip s LEU 52 CO 0.22 -1.33 1.72 -0.09 0.23 0.00 0.00 176.35 177.11 3cip h ARG 53 N -0.24 0.37 -0.09 1.70 2.43 -1.97 -1.22 114.38 115.36 3cip h ARG 53 Ca -0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3cip h ARG 53 Cb 1.30 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3cip h ARG 53 CO 0.57 0.24 0.00 0.27 -1.51 0.00 0.00 179.97 179.54 3cip n ASN 54 N -5.04 0.89 0.00 -3.80 6.94 -1.26 -4.87 115.26 108.11 3cip n ASN 54 Ca 0.12 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.12 3cip n ASN 54 Cb 0.37 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 3cip n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cip n GLY 55 N 0.98 0.25 3.77 4.83 0.00 -0.46 -5.06 105.19 109.50 3cip n GLY 55 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3cip n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cip s ASN 56 N -2.29 3.15 -0.08 1.61 2.20 -1.26 -4.70 114.94 113.57 3cip s ASN 56 Ca 0.00 0.88 0.01 0.00 -0.94 0.00 0.00 52.86 52.81 3cip s ASN 56 Cb 0.00 -1.38 -0.03 0.00 -2.00 0.00 0.00 41.25 37.84 3cip s ASN 56 CO 0.00 -2.77 -0.09 -0.76 -2.94 0.00 0.00 177.10 170.54 3cip s LEU 57 N -6.14 3.01 -0.14 3.54 1.43 -1.26 -0.75 118.68 118.36 3cip s LEU 57 Ca 0.66 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 3cip s LEU 57 Cb -0.14 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3cip s LEU 57 CO 0.54 0.31 0.12 -1.58 0.23 0.00 0.00 176.35 175.97 3cip s GLN 58 N -0.50 3.64 -0.04 1.70 0.74 0.10 -4.93 119.66 120.37 3cip s GLN 58 Ca 0.07 -0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.35 3cip s GLN 58 Cb -0.12 -3.22 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 3cip s GLN 58 CO 0.02 0.62 -0.20 0.71 -0.55 0.00 0.00 175.29 175.88 3cip s TYR 59 N -0.57 1.96 -0.11 1.67 1.51 -1.26 -0.98 117.35 119.57 3cip s TYR 59 Ca 0.12 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3cip s TYR 59 Cb -0.12 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3cip s TYR 59 CO 0.02 -0.15 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.68 3cip s ASP 60 N -0.14 2.26 -0.20 2.29 1.01 -0.74 -1.99 116.67 119.16 3cip s ASP 60 Ca -0.01 -0.37 -0.06 0.00 0.71 0.00 0.00 52.55 52.82 3cip s ASP 60 Cb -0.11 -0.97 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 3cip s ASP 60 CO 0.02 -0.04 0.03 -0.76 0.21 0.00 0.00 175.17 174.63 3cip s LEU 61 N 1.26 3.45 -0.08 1.23 1.43 0.37 -1.30 118.68 125.05 3cip s LEU 61 Ca -0.02 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3cip s LEU 61 Cb -0.14 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3cip s LEU 61 CO -0.04 0.09 -0.23 -1.00 0.23 0.00 0.00 176.35 175.39 3cip s HIS 62 N 0.88 2.38 -0.20 0.29 3.76 0.42 -0.06 115.29 122.76 3cip s HIS 62 Ca 0.02 -0.89 -0.04 0.00 -0.15 0.00 0.00 55.06 54.00 3cip s HIS 62 Cb -0.14 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 3cip s HIS 62 CO 0.02 -0.34 -0.03 1.52 -0.85 0.00 0.00 174.74 175.06 3cip s TYR 63 N 0.23 2.98 -0.17 1.40 -0.85 -0.23 0.07 117.35 120.78 3cip s TYR 63 Ca -0.14 -0.66 -0.06 0.00 -0.52 0.00 0.00 57.07 55.70 3cip s TYR 63 Cb -0.16 -2.06 -0.03 0.00 0.38 0.00 0.00 41.96 40.08 3cip s TYR 63 CO 0.07 -0.35 0.02 -0.46 -1.52 0.00 0.00 175.55 173.31 3cip s TRP 64 N 1.09 3.13 -0.24 -3.49 -0.00 0.04 -0.36 118.94 119.12 3cip s TRP 64 Ca 0.02 -0.14 0.02 0.00 -0.00 0.00 0.00 56.10 56.00 3cip s TRP 64 Cb -0.15 -2.03 0.05 0.00 -0.00 0.00 0.00 33.47 31.34 3cip s TRP 64 CO 0.00 0.03 -0.13 -0.51 -0.00 0.00 0.00 176.95 176.35 3cip s LEU 65 N 0.45 3.09 0.57 5.86 1.43 0.23 -0.97 118.68 129.33 3cip s LEU 65 Ca -0.00 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 51.77 3cip s LEU 65 Cb -0.13 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3cip s LEU 65 CO 0.02 -0.14 1.16 -0.83 0.23 0.00 0.00 176.35 176.79 3cip s GLY 66 N 1.18 2.65 0.51 -3.19 0.00 -0.43 -1.87 107.32 106.16 3cip s GLY 66 Ca -0.04 0.88 0.24 0.00 0.00 0.00 0.00 44.72 45.80 3cip s GLY 66 CO -0.07 1.25 1.96 -0.57 0.00 0.00 0.00 173.10 175.67 3cip h ASN 67 N 1.03 0.09 -0.31 1.64 -1.24 -1.75 -2.19 115.58 112.85 3cip h ASN 67 Ca -0.50 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.52 3cip h ASN 67 Cb 1.27 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.31 3cip h ASN 67 CO 0.56 0.04 0.00 -0.62 -1.29 0.00 0.00 177.43 176.12 3cip n GLU 68 N -4.38 2.68 -2.12 6.67 4.71 0.21 -5.03 120.64 123.37 3cip n GLU 68 Ca 0.12 -1.96 -0.36 0.00 -0.01 0.00 0.00 57.16 54.95 3cip n GLU 68 Cb 0.65 -1.26 0.02 0.00 -1.01 0.00 0.00 31.44 29.84 3cip n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cip s SER 70 N -1.59 5.60 0.31 0.00 1.04 -1.26 -4.86 113.70 112.93 3cip s SER 70 Ca 0.74 0.97 -0.00 0.00 0.48 0.00 0.00 55.95 58.14 3cip s SER 70 Cb -0.28 -1.89 0.51 0.00 0.10 0.00 0.00 66.02 64.46 3cip s SER 70 CO 0.32 -1.16 1.97 -0.61 0.98 0.00 0.00 173.24 174.74 3cip h GLN 71 N -0.40 1.00 -0.39 4.02 4.15 -1.99 -0.84 115.11 120.65 3cip h GLN 71 Ca -0.45 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 3cip h GLN 71 Cb 1.25 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 3cip h GLN 71 CO 0.62 0.66 0.18 0.38 -1.93 0.00 0.00 178.83 178.75 3cip h ASP 72 N 1.03 0.48 -0.00 -0.69 2.03 -1.98 -0.34 116.42 116.95 3cip h ASP 72 Ca 0.30 -0.04 -0.07 0.00 -0.73 0.00 0.00 57.03 56.49 3cip h ASP 72 Cb -0.05 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 38.33 3cip h ASP 72 CO -0.08 0.42 -0.27 -0.33 -1.03 0.00 0.00 179.24 177.95 3cip h GLU 73 N 0.54 0.19 -0.47 4.15 5.08 -1.56 -0.87 114.58 121.64 3cip h GLU 73 Ca 0.14 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3cip h GLU 73 Cb 0.07 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3cip h GLU 73 CO -0.02 0.93 -0.20 0.66 -1.00 0.00 0.00 179.01 179.38 3cip h SER 74 N -0.48 0.96 -0.30 1.42 4.64 -1.30 0.32 113.55 118.82 3cip h SER 74 Ca -0.03 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3cip h SER 74 Cb 1.02 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3cip h SER 74 CO 0.05 1.13 0.15 1.23 -0.87 0.00 0.00 176.83 178.52 3cip h GLY 75 N 0.91 0.46 1.03 -0.77 0.00 -1.13 -1.78 103.07 101.79 3cip h GLY 75 Ca 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3cip h GLY 75 CO 0.06 0.22 0.34 0.00 0.00 0.00 0.00 176.54 177.16 3cip h ALA 76 N 1.01 0.98 -0.69 3.60 0.00 -1.01 -1.32 119.26 121.82 3cip h ALA 76 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cip h ALA 76 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3cip h ALA 76 CO -0.01 0.56 0.44 0.00 0.00 0.00 0.00 179.25 180.24 3cip h ALA 77 N 1.17 0.88 -0.30 0.00 0.00 -0.72 0.16 119.26 120.44 3cip h ALA 77 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3cip h ALA 77 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3cip h ALA 77 CO -0.03 0.32 0.14 0.00 0.00 0.00 0.00 179.25 179.68 3cip h ALA 78 N 1.24 0.38 -0.25 0.00 0.00 -1.04 -1.83 119.26 117.76 3cip h ALA 78 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3cip h ALA 78 Cb -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3cip h ALA 78 CO -0.05 -0.04 -0.26 0.82 0.00 0.00 0.00 179.25 179.71 3cip h ILE 79 N 0.34 1.31 -0.66 0.00 2.04 -0.71 -2.23 117.51 117.60 3cip h ILE 79 Ca 0.10 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.56 3cip h ILE 79 Cb 0.14 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3cip h ILE 79 CO -0.01 0.45 0.44 -0.26 0.00 0.00 0.00 178.15 178.77 3cip h PHE 80 N 0.33 0.76 -0.12 1.37 0.05 -0.69 -0.57 116.94 118.07 3cip h PHE 80 Ca 0.04 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.85 3cip h PHE 80 Cb 0.83 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 3cip h PHE 80 CO 0.08 0.44 0.08 1.15 -0.18 0.00 0.00 178.31 179.88 3cip h THR 81 N 0.79 1.03 -0.50 -1.55 2.02 -0.94 0.21 112.91 113.97 3cip h THR 81 Ca 0.27 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3cip h THR 81 Cb 0.07 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3cip h THR 81 CO -0.07 0.03 0.30 0.58 0.37 0.00 0.00 175.52 176.73 3cip h VAL 82 N 0.17 1.06 -0.61 3.16 2.07 -0.74 -1.09 116.25 120.26 3cip h VAL 82 Ca 0.05 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3cip h VAL 82 Cb -0.02 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3cip h VAL 82 CO -0.01 0.11 0.29 1.56 0.02 0.00 0.00 177.57 179.54 3cip h GLN 83 N 0.61 0.89 -0.46 1.57 4.20 -0.81 -0.33 115.11 120.77 3cip h GLN 83 Ca 0.20 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3cip h GLN 83 Cb 0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3cip h GLN 83 CO -0.09 0.72 0.04 -0.07 -0.67 0.00 0.00 178.83 178.77 3cip h LEU 84 N 0.84 0.76 -0.23 1.46 3.38 -0.37 0.31 115.31 121.46 3cip h LEU 84 Ca 0.21 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3cip h LEU 84 Cb 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3cip h LEU 84 CO -0.02 0.85 0.06 -0.78 0.09 0.00 0.00 178.44 178.63 3cip h ASP 85 N 0.64 0.05 -0.29 -0.43 3.58 -0.95 0.09 116.42 119.10 3cip h ASP 85 Ca 0.14 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.66 3cip h ASP 85 Cb 0.43 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.47 3cip h ASP 85 CO 0.01 0.06 0.00 0.44 -2.88 0.00 0.00 179.24 176.88 3cip h ASP 86 N 0.16 -0.11 -0.89 2.28 3.32 -0.82 0.20 116.42 120.56 3cip h ASP 86 Ca 0.10 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.32 3cip h ASP 86 Cb 0.09 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3cip h ASP 86 CO -0.12 -0.02 0.58 0.22 -1.72 0.00 0.00 179.24 178.17 3cip h TYR 87 N 0.09 0.95 -0.29 4.55 3.20 -0.51 -1.02 116.97 123.94 3cip h TYR 87 Ca 0.14 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3cip h TYR 87 Cb 0.18 -0.30 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 3cip h TYR 87 CO -0.22 0.43 0.16 1.28 -1.64 0.00 0.00 178.16 178.17 3cip n LEU 88 N -4.53 3.81 -2.47 2.82 4.77 -0.02 -4.88 117.00 116.50 3cip n LEU 88 Ca 0.15 -1.96 -0.20 0.00 -0.03 0.00 0.00 56.01 53.97 3cip n LEU 88 Cb 0.32 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3cip n LEU 88 CO 0.31 0.61 -0.23 0.59 -1.33 0.00 0.00 177.39 177.34 3cip n ASN 89 N 0.03 -5.58 -1.02 -1.43 4.13 -0.38 -1.88 115.26 109.12 3cip n ASN 89 Ca 0.17 -0.01 -0.13 0.00 1.68 0.00 0.00 54.58 56.29 3cip n ASN 89 Cb 0.80 -4.65 -0.05 0.00 -1.54 0.00 0.00 39.78 34.35 3cip n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cip n GLY 90 N -1.02 1.18 0.25 7.41 0.00 -0.04 -4.90 105.19 108.07 3cip n GLY 90 Ca -0.22 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.51 3cip n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cip n ARG 91 N -2.59 1.11 -3.78 1.61 1.74 -0.79 -4.88 116.66 109.08 3cip n ARG 91 Ca -0.13 -0.51 -0.37 0.00 -0.77 0.00 0.00 57.85 56.07 3cip n ARG 91 Cb 0.44 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 3cip n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cip s ALA 92 N -2.24 3.82 -0.06 7.54 0.00 -1.26 -4.13 121.76 125.43 3cip s ALA 92 Ca 0.34 -0.54 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 3cip s ALA 92 Cb 0.20 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3cip s ALA 92 CO 0.42 0.55 0.63 0.08 0.00 0.00 0.00 175.76 177.44 3cip s VAL 93 N -0.93 5.03 -0.05 0.00 1.01 -0.84 -4.89 120.40 119.72 3cip s VAL 93 Ca 0.17 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 3cip s VAL 93 Cb -0.13 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3cip s VAL 93 CO 0.06 0.31 0.28 -1.10 0.00 0.00 0.00 175.10 174.65 3cip s GLN 94 N 0.48 3.69 -0.05 2.72 -0.21 -1.26 -0.48 119.66 124.55 3cip s GLN 94 Ca 0.33 0.15 -0.00 0.00 0.02 0.00 0.00 55.36 55.86 3cip s GLN 94 Cb -0.17 -3.20 0.03 0.00 1.00 0.00 0.00 33.01 30.66 3cip s GLN 94 CO 0.16 0.73 -0.02 -1.01 -2.12 0.00 0.00 175.29 173.04 3cip s HIS 95 N -1.07 0.64 -0.23 0.91 3.76 0.91 -4.95 115.29 115.26 3cip s HIS 95 Ca 0.20 -0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 54.75 3cip s HIS 95 Cb -0.14 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 3cip s HIS 95 CO 0.09 -0.23 0.64 0.50 -0.85 0.00 0.00 174.74 174.89 3cip s ARG 96 N 1.35 4.16 -0.27 1.40 3.52 -1.26 -1.07 118.95 126.79 3cip s ARG 96 Ca -0.04 0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 56.15 3cip s ARG 96 Cb -0.13 -3.62 0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3cip s ARG 96 CO -0.02 -0.34 -0.04 -1.21 -0.81 0.00 0.00 175.30 172.87 3cip s GLU 97 N 2.27 2.65 -0.11 5.12 0.41 0.51 -4.90 118.70 124.65 3cip s GLU 97 Ca 0.28 -1.10 -0.10 0.00 -0.41 0.00 0.00 54.97 53.63 3cip s GLU 97 Cb -0.16 -3.05 -0.05 0.00 -1.78 0.00 0.00 34.13 29.10 3cip s GLU 97 CO 0.09 -0.49 0.22 0.08 -0.49 0.00 0.00 175.26 174.68 3cip s VAL 98 N 1.28 5.35 0.07 2.63 1.01 -1.26 -0.60 120.40 128.88 3cip s VAL 98 Ca -0.02 0.40 -0.37 0.00 0.00 0.00 0.00 61.98 61.99 3cip s VAL 98 Cb -0.18 -3.52 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 3cip s VAL 98 CO -0.03 0.55 1.38 1.67 0.00 0.00 0.00 175.10 178.66 3cip n GLN 99 N 2.41 1.21 -0.46 2.72 7.27 -0.78 -0.58 117.38 129.17 3cip n GLN 99 Ca -0.17 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.34 3cip n GLN 99 Cb 0.53 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 31.09 3cip n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3cip n GLY 100 N 2.67 1.64 0.85 1.69 0.00 -1.26 -4.83 105.19 105.94 3cip n GLY 100 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3cip n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cip n PHE 101 N -2.00 0.00 -2.23 1.61 3.01 0.25 -5.11 117.46 113.00 3cip n PHE 101 Ca 0.00 -0.43 -0.36 0.00 1.01 0.00 0.00 57.45 57.68 3cip n PHE 101 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 3cip n PHE 101 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3cip s GLU 102 N -0.57 3.47 0.69 -1.08 8.01 -1.15 -4.55 118.70 123.51 3cip s GLU 102 Ca 0.20 1.71 -0.16 0.00 0.01 0.00 0.00 54.97 56.72 3cip s GLU 102 Cb 0.21 -2.15 0.02 0.00 -4.31 0.00 0.00 34.13 27.89 3cip s GLU 102 CO -0.07 -0.78 1.20 -1.54 0.01 0.00 0.00 175.26 174.08 3cip s SER 103 N -1.58 4.55 0.27 -0.19 1.04 -1.26 -4.85 113.70 111.67 3cip s SER 103 Ca 0.70 2.32 -0.01 0.00 0.48 0.00 0.00 55.95 59.43 3cip s SER 103 Cb -0.27 -2.59 0.45 0.00 0.10 0.00 0.00 66.02 63.72 3cip s SER 103 CO 0.31 -2.02 1.88 0.00 0.98 0.00 0.00 173.24 174.38 3cip h ALA 104 N 0.02 1.44 -0.08 5.32 0.00 -1.99 -1.54 119.26 122.42 3cip h ALA 104 Ca -0.48 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3cip h ALA 104 Cb 1.29 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3cip h ALA 104 CO 0.52 0.40 -0.14 1.15 0.00 0.00 0.00 179.25 181.18 3cip h THR 105 N 1.13 0.64 -0.16 0.00 2.02 -1.99 -0.68 112.91 113.88 3cip h THR 105 Ca 0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.62 3cip h THR 105 Cb 0.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3cip h THR 105 CO -0.19 0.00 0.09 0.15 0.37 0.00 0.00 175.52 175.95 3cip h PHE 106 N -0.19 0.22 -0.41 3.16 3.57 -1.82 -2.58 116.94 118.89 3cip h PHE 106 Ca 0.08 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3cip h PHE 106 Cb 0.30 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3cip h PHE 106 CO -0.23 0.20 0.27 -0.07 -2.23 0.00 0.00 178.31 176.25 3cip h LEU 107 N 0.18 0.38 -1.07 0.59 3.38 -1.10 -1.80 115.31 115.86 3cip h LEU 107 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cip h LEU 107 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3cip h LEU 107 CO -0.01 0.26 0.00 1.23 0.09 0.00 0.00 178.44 180.01 3cip h GLY 108 N 0.44 0.00 2.00 0.83 0.00 -0.71 -2.81 103.07 102.82 3cip h GLY 108 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3cip h GLY 108 CO -0.04 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.53 3cip h TYR 109 N 0.00 0.00 -3.50 5.60 0.05 -1.27 -3.40 116.97 114.45 3cip h TYR 109 Ca 0.00 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.08 3cip h TYR 109 Cb 0.30 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 37.69 3cip h TYR 109 CO 0.00 0.00 -0.45 -0.06 -1.05 0.00 0.00 178.16 176.60 3cip s PHE 110 N -3.72 3.49 0.30 4.88 0.40 -1.06 -4.97 117.98 117.29 3cip s PHE 110 Ca 0.00 -2.54 0.06 0.00 -0.60 0.00 0.00 56.93 53.85 3cip s PHE 110 Cb 0.09 -3.23 0.78 0.00 0.51 0.00 0.00 43.02 41.18 3cip s PHE 110 CO 0.52 -0.91 1.71 -0.22 0.70 0.00 0.00 175.22 177.02 3cip h LYS 111 N 7.56 0.45 -0.41 0.44 3.64 -1.85 0.27 116.57 126.67 3cip h LYS 111 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3cip h LYS 111 Cb 1.00 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3cip h LYS 111 CO 0.71 0.30 0.00 -1.13 -2.27 0.00 0.00 179.45 177.06 3cip n SER 112 N -4.98 2.83 0.00 4.20 3.41 -1.26 -5.04 113.62 112.78 3cip n SER 112 Ca 0.24 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 3cip n SER 112 Cb 0.68 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3cip n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cip n GLY 113 N 1.37 -0.51 3.81 5.00 0.00 0.08 -5.02 105.19 109.92 3cip n GLY 113 Ca 0.18 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3cip n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3cip s LEU 114 N -0.63 3.08 0.07 0.99 0.05 -1.26 -4.99 118.68 115.99 3cip s LEU 114 Ca 0.00 1.62 0.06 0.00 0.05 0.00 0.00 54.13 55.87 3cip s LEU 114 Cb 0.00 -4.46 -0.03 0.00 -2.05 0.00 0.00 46.19 39.65 3cip s LEU 114 CO 0.00 -1.56 -0.16 -0.54 -0.55 0.00 0.00 176.35 173.53 3cip s LYS 115 N -5.03 0.96 -0.01 1.48 1.02 0.63 -5.03 119.74 113.76 3cip s LYS 115 Ca 0.59 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.61 3cip s LYS 115 Cb -0.14 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.08 3cip s LYS 115 CO 0.55 0.24 0.00 0.71 -0.92 0.00 0.00 175.35 175.94 3cip s TYR 116 N -1.13 3.09 0.01 3.18 4.12 -1.26 -1.11 117.35 124.24 3cip s TYR 116 Ca 0.02 0.09 0.01 0.00 0.02 0.00 0.00 57.07 57.21 3cip s TYR 116 Cb -0.10 -1.68 -0.01 0.00 -1.52 0.00 0.00 41.96 38.65 3cip s TYR 116 CO 0.03 0.46 -0.03 -1.59 0.02 0.00 0.00 175.55 174.44 3cip s LYS 117 N -1.51 0.24 0.49 -0.62 -2.85 -0.48 -4.91 119.74 110.10 3cip s LYS 117 Ca 0.19 -0.30 -0.21 0.00 -1.00 0.00 0.00 55.97 54.65 3cip s LYS 117 Cb -0.12 -0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.48 3cip s LYS 117 CO 0.10 0.02 1.08 0.15 0.10 0.00 0.00 175.35 176.80 3cip s LYS 118 N -0.62 3.71 0.00 1.78 -0.14 -1.26 -0.32 119.74 122.89 3cip s LYS 118 Ca -0.05 1.50 0.00 0.00 -1.36 0.00 0.00 55.97 56.06 3cip s LYS 118 Cb -0.04 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 3cip s LYS 118 CO -0.00 -0.53 0.00 0.41 -0.76 0.00 0.00 175.35 174.46 3cip n GLY 119 N 0.03 -1.00 0.00 -3.33 0.00 -1.26 -4.79 105.19 94.85 3cip n GLY 119 Ca 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3cip n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cip n GLY 120 N 0.00 0.29 3.79 -0.02 0.00 -1.26 -0.82 105.19 107.18 3cip n GLY 120 Ca 0.00 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3cip n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cip s VAL 121 N -1.95 4.08 0.52 1.61 0.11 -1.26 -5.01 120.40 118.49 3cip s VAL 121 Ca 0.00 1.56 -0.22 0.00 -2.93 0.00 0.00 61.98 60.40 3cip s VAL 121 Cb 0.00 -3.79 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 3cip s VAL 121 CO 0.00 -0.02 1.25 0.00 -3.33 0.00 0.00 175.10 173.00 3cip s ALA 122 N -1.77 2.83 0.39 1.54 0.00 -1.26 -4.91 121.76 118.59 3cip s ALA 122 Ca 0.56 1.10 -0.25 0.00 0.00 0.00 0.00 51.96 53.37 3cip s ALA 122 Cb -0.17 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 3cip s ALA 122 CO 0.22 -1.02 0.95 0.45 0.00 0.00 0.00 175.76 176.36 3cip n SER 123 N -0.90 1.01 0.00 0.00 2.88 -1.26 -4.53 113.62 110.82 3cip n SER 123 Ca 0.10 1.05 0.13 0.00 -1.33 0.00 0.00 58.87 58.82 3cip n SER 123 Cb 0.47 -1.31 0.59 0.00 -0.75 0.00 0.00 64.21 63.21 3cip n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cip n GLY 124 N 1.26 -1.40 0.00 0.46 0.00 -1.26 -4.95 105.19 99.30 3cip n GLY 124 Ca 0.10 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3cip n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01