#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rcd s LEU 2 N 0.00 -0.52 0.20 0.99 1.43 -1.26 -5.09 118.68 114.42 2rcd s LEU 2 Ca 0.00 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2rcd s LEU 2 Cb 0.00 2.41 0.23 0.00 0.03 0.00 0.00 46.19 48.86 2rcd s LEU 2 CO 0.00 -0.81 1.72 1.55 0.23 0.00 0.00 176.35 179.04 2rcd h PRO 3 N 2.15 0.27 0.00 1.29 0.13 -2.05 -2.40 132.00 131.38 2rcd h PRO 3 Ca -0.29 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2rcd h PRO 3 Cb 1.26 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2rcd h PRO 3 CO 0.36 0.18 -0.03 -0.44 -0.23 0.00 0.00 178.00 177.84 2rcd h ASP 4 N 0.28 0.00 0.43 1.44 5.19 -2.03 -2.90 116.42 118.83 2rcd h ASP 4 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2rcd h ASP 4 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2rcd h ASP 4 CO -0.33 0.03 0.00 0.47 -3.12 0.00 0.00 179.24 176.28 2rcd n ASP 5 N -3.26 0.00 -4.72 6.45 8.00 -0.90 -4.77 116.55 117.35 2rcd n ASP 5 Ca -0.02 0.13 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 2rcd n ASP 5 Cb 0.17 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 2rcd n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rcd s VAL 6 N -2.68 5.03 -1.06 2.53 1.01 -1.10 -0.61 120.40 123.53 2rcd s VAL 6 Ca 0.16 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.39 2rcd s VAL 6 Cb 0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2rcd s VAL 6 CO 0.30 0.29 0.87 0.59 0.00 0.00 0.00 175.10 177.15 2rcd n ASN 7 N 3.58 -6.28 -4.70 3.32 3.02 -0.19 -4.97 115.26 109.04 2rcd n ASN 7 Ca -0.03 -0.78 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 2rcd n ASN 7 Cb 0.51 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 2rcd n ASN 7 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2rcd s GLN 8 N -4.84 4.47 0.18 3.52 -0.21 -1.26 -4.91 119.66 116.60 2rcd s GLN 8 Ca 0.44 1.48 -0.26 0.00 0.02 0.00 0.00 55.36 57.04 2rcd s GLN 8 Cb -0.09 -3.49 0.04 0.00 1.00 0.00 0.00 33.01 30.47 2rcd s GLN 8 CO 0.78 -0.22 1.55 0.00 -2.12 0.00 0.00 175.29 175.28 2rcd h ALA 9 N 7.00 -0.31 -0.72 6.09 0.00 -1.99 -0.87 119.26 128.47 2rcd h ALA 9 Ca -0.36 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2rcd h ALA 9 Cb 1.18 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 20.04 2rcd h ALA 9 CO 0.81 -0.84 0.45 0.38 0.00 0.00 0.00 179.25 180.06 2rcd h ASP 10 N -0.12 0.74 -0.29 0.00 3.04 -2.00 0.53 116.42 118.32 2rcd h ASP 10 Ca 0.21 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.99 2rcd h ASP 10 Cb 0.53 -0.16 -0.01 0.00 -1.04 0.00 0.00 39.33 38.65 2rcd h ASP 10 CO -0.83 0.51 0.16 0.58 -2.04 0.00 0.00 179.24 177.63 2rcd h VAL 11 N 0.88 1.13 -0.21 4.15 2.07 -1.69 -2.53 116.25 120.05 2rcd h VAL 11 Ca 0.29 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2rcd h VAL 11 Cb 0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2rcd h VAL 11 CO -0.11 0.13 -0.09 0.25 0.02 0.00 0.00 177.57 177.78 2rcd h LEU 12 N 0.35 0.31 -0.18 2.57 5.85 -0.59 -2.20 115.31 121.42 2rcd h LEU 12 Ca 0.10 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2rcd h LEU 12 Cb 0.07 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2rcd h LEU 12 CO -0.02 0.44 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 2rcd h ALA 13 N 1.60 0.25 0.03 1.25 0.00 -0.72 -1.72 119.26 119.95 2rcd h ALA 13 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2rcd h ALA 13 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2rcd h ALA 13 CO 0.02 -0.05 -0.04 -0.44 0.00 0.00 0.00 179.25 178.75 2rcd h ASP 14 N 0.08 -0.09 -0.85 0.00 3.32 -1.17 -1.66 116.42 116.05 2rcd h ASP 14 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2rcd h ASP 14 Cb 0.38 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2rcd h ASP 14 CO 0.01 -0.06 0.54 0.58 -1.72 0.00 0.00 179.24 178.59 2rcd h VAL 15 N -0.08 1.23 0.08 -1.35 2.07 -1.46 -2.20 116.25 114.53 2rcd h VAL 15 Ca 0.01 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2rcd h VAL 15 Cb 0.08 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2rcd h VAL 15 CO -0.02 0.23 -0.04 0.74 0.02 0.00 0.00 177.57 178.50 2rcd h THR 16 N 1.16 1.15 -0.50 2.57 2.02 -0.85 -0.79 112.91 117.66 2rcd h THR 16 Ca 0.31 -0.84 0.10 0.00 0.77 0.00 0.00 66.41 66.75 2rcd h THR 16 Cb -0.09 1.68 -0.09 0.00 -1.74 0.00 0.00 68.15 67.91 2rcd h THR 16 CO -0.06 0.21 -0.08 0.00 0.37 0.00 0.00 175.52 175.95 2rcd h ALA 17 N 0.38 0.39 -0.80 6.16 0.00 -1.30 0.01 119.26 124.10 2rcd h ALA 17 Ca -0.01 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2rcd h ALA 17 Cb 0.42 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2rcd h ALA 17 CO 0.02 -0.42 0.45 0.00 0.00 0.00 0.00 179.25 179.30 2rcd h ALA 18 N 1.49 1.14 -0.35 0.00 0.00 -1.14 0.31 119.26 120.71 2rcd h ALA 18 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2rcd h ALA 18 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2rcd h ALA 18 CO -0.49 0.08 0.23 0.35 0.00 0.00 0.00 179.25 179.42 2rcd h PHE 19 N 0.76 0.44 0.00 0.00 3.57 0.45 -0.68 116.94 121.48 2rcd h PHE 19 Ca 0.39 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.82 2rcd h PHE 19 Cb 0.36 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2rcd h PHE 19 CO -0.07 0.29 -0.37 1.88 -2.23 0.00 0.00 178.31 177.81 2rcd h TYR 20 N 0.47 0.00 -0.37 0.41 0.05 -0.50 -0.83 116.97 116.19 2rcd h TYR 20 Ca 0.13 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.75 2rcd h TYR 20 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2rcd h TYR 20 CO -0.05 0.37 -0.40 -0.09 -1.05 0.00 0.00 178.16 176.94 2rcd h ARG 21 N 0.00 0.91 -0.40 4.88 2.43 -0.62 -1.90 114.38 119.68 2rcd h ARG 21 Ca -0.00 -0.48 -0.08 0.00 -0.81 0.00 0.00 59.98 58.61 2rcd h ARG 21 Cb 0.90 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2rcd h ARG 21 CO 0.05 1.14 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.66 2rcd h TYR 22 N 0.74 0.73 -0.33 2.20 3.20 -0.69 -1.51 116.97 121.30 2rcd h TYR 22 Ca 0.06 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2rcd h TYR 22 Cb 0.99 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2rcd h TYR 22 CO 0.06 0.72 0.17 1.49 -1.64 0.00 0.00 178.16 178.96 2rcd h GLU 23 N 0.63 0.47 -0.40 1.82 4.57 -0.97 0.77 114.58 121.46 2rcd h GLU 23 Ca 0.12 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2rcd h GLU 23 Cb 0.49 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2rcd h GLU 23 CO 0.03 0.42 0.10 -0.22 -1.18 0.00 0.00 179.01 178.15 2rcd h LYS 24 N 0.40 0.63 -0.71 1.92 3.64 -1.17 -2.06 116.57 119.23 2rcd h LYS 24 Ca 0.11 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2rcd h LYS 24 Cb 0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2rcd h LYS 24 CO -0.02 0.66 0.21 0.00 -2.27 0.00 0.00 179.45 178.03 2rcd h ALA 25 N 0.95 1.04 -0.21 5.00 0.00 -1.01 -2.18 119.26 122.83 2rcd h ALA 25 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2rcd h ALA 25 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rcd h ALA 25 CO 0.00 0.65 0.09 1.25 0.00 0.00 0.00 179.25 181.23 2rcd h LEU 26 N 1.05 0.30 -0.87 0.00 5.85 -0.72 0.57 115.31 121.49 2rcd h LEU 26 Ca 0.23 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2rcd h LEU 26 Cb 0.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2rcd h LEU 26 CO -0.01 0.38 -0.34 0.71 -0.34 0.00 0.00 178.44 178.84 2rcd h THR 27 N 0.19 0.78 -0.15 1.05 1.35 -1.31 -2.85 112.91 111.97 2rcd h THR 27 Ca 0.07 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2rcd h THR 27 Cb 0.18 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2rcd h THR 27 CO -0.01 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2rcd n GLY 28 N 0.33 0.76 3.93 5.82 0.00 -0.83 -4.21 105.19 111.00 2rcd n GLY 28 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 2rcd n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rcd n ASN 29 N 0.84 -2.94 -4.52 1.61 5.15 -0.32 -4.88 115.26 110.21 2rcd n ASN 29 Ca 0.17 -0.87 -0.44 0.00 -0.60 0.00 0.00 54.58 52.85 2rcd n ASN 29 Cb 0.47 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 2rcd n ASN 29 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2rcd n ASP 30 N -2.88 5.09 -0.08 1.20 -0.08 0.04 -4.84 116.55 115.00 2rcd n ASP 30 Ca -0.09 -2.95 0.15 0.00 -1.51 0.00 0.00 54.79 50.39 2rcd n ASP 30 Cb 0.58 -1.66 0.55 0.00 2.34 0.00 0.00 41.12 42.93 2rcd n ASP 30 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2rcd h VAL 31 N 5.08 0.83 0.32 5.18 2.07 -1.90 -1.55 116.25 126.28 2rcd h VAL 31 Ca 0.38 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2rcd h VAL 31 Cb 0.87 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2rcd h VAL 31 CO 1.35 0.06 -0.37 0.00 0.02 0.00 0.00 177.57 178.63 2rcd h ALA 32 N 1.70 -0.76 -0.26 1.67 0.00 -1.98 -0.80 119.26 118.82 2rcd h ALA 32 Ca 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2rcd h ALA 32 Cb 0.72 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2rcd h ALA 32 CO -0.07 -0.97 -0.01 0.28 0.00 0.00 0.00 179.25 178.47 2rcd h VAL 33 N -0.73 1.26 -0.96 0.00 2.07 -1.84 0.58 116.25 116.63 2rcd h VAL 33 Ca -0.02 -0.96 0.20 0.00 0.82 0.00 0.00 66.70 66.75 2rcd h VAL 33 Cb 0.67 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 2rcd h VAL 33 CO -0.09 0.30 0.61 -0.07 0.02 0.00 0.00 177.57 178.34 2rcd h LEU 34 N 0.25 0.59 -0.12 2.57 3.38 -1.26 0.19 115.31 120.92 2rcd h LEU 34 Ca 0.07 0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.87 2rcd h LEU 34 Cb 0.45 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2rcd h LEU 34 CO 0.02 0.22 -0.88 -0.78 0.09 0.00 0.00 178.44 177.11 2rcd h ASP 35 N 0.58 0.91 -0.29 -0.43 3.58 -0.72 -3.08 116.42 116.97 2rcd h ASP 35 Ca 0.53 -0.64 0.04 0.00 0.42 0.00 0.00 57.03 57.37 2rcd h ASP 35 Cb 1.06 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 2rcd h ASP 35 CO -0.27 1.44 0.07 -0.08 -2.88 0.00 0.00 179.24 177.52 2rcd h GLU 36 N 0.47 0.18 0.00 0.28 4.81 0.11 -3.11 114.58 117.33 2rcd h GLU 36 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2rcd h GLU 36 Cb 1.51 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2rcd h GLU 36 CO 0.18 0.12 0.00 -0.07 -0.73 0.00 0.00 179.01 178.51 2rcd h LEU 37 N 0.19 0.00 -9.89 1.64 3.38 -0.75 -3.43 115.31 106.44 2rcd h LEU 37 Ca 0.13 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.59 2rcd h LEU 37 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2rcd h LEU 37 CO -0.16 0.00 0.09 -0.36 0.09 0.00 0.00 178.44 178.10 2rcd s PHE 38 N -3.22 3.58 0.19 1.13 0.40 -1.16 0.04 117.98 118.93 2rcd s PHE 38 Ca 0.07 1.31 -0.31 0.00 -0.60 0.00 0.00 56.93 57.41 2rcd s PHE 38 Cb 0.10 -2.57 -0.10 0.00 0.51 0.00 0.00 43.02 40.96 2rcd s PHE 38 CO 0.52 0.29 1.53 -0.46 0.70 0.00 0.00 175.22 177.80 2rcd s TRP 39 N -1.63 3.04 -1.18 0.36 -0.00 -0.38 -4.75 118.94 114.42 2rcd s TRP 39 Ca 0.45 0.75 -0.14 0.00 -0.00 0.00 0.00 56.10 57.16 2rcd s TRP 39 Cb -0.15 -3.90 0.17 0.00 -0.00 0.00 0.00 33.47 29.59 2rcd s TRP 39 CO 0.20 -3.20 1.39 -1.58 -0.00 0.00 0.00 176.95 173.77 2rcd s HIS 40 N 0.79 3.48 0.15 5.86 5.65 -1.26 -4.72 115.29 125.24 2rcd s HIS 40 Ca 0.67 -2.07 -0.18 0.00 0.25 0.00 0.00 55.06 53.73 2rcd s HIS 40 Cb -0.43 -4.30 0.04 0.00 -1.18 0.00 0.00 32.58 26.71 2rcd s HIS 40 CO 0.35 -1.40 0.48 0.34 -0.65 0.00 0.00 174.74 173.86 2rcd s ASP 41 N 2.88 -0.32 0.42 9.88 -1.08 -1.26 -5.01 116.67 122.18 2rcd s ASP 41 Ca 0.41 -0.28 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 2rcd s ASP 41 Cb -0.03 0.53 0.91 0.00 -1.46 0.00 0.00 42.92 42.87 2rcd s ASP 41 CO -0.01 -0.93 1.84 1.05 0.52 0.00 0.00 175.17 177.64 2rcd h GLU 42 N 2.24 0.00 0.00 4.34 9.09 -1.94 -2.29 114.58 126.02 2rcd h GLU 42 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.08 2rcd h GLU 42 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2rcd h GLU 42 CO 0.42 0.29 0.00 1.63 0.05 0.00 0.00 179.01 181.40 2rcd n LYS 43 N -3.61 0.19 -1.90 1.06 5.02 -1.26 -3.04 118.16 114.62 2rcd n LYS 43 Ca -0.01 0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 2rcd n LYS 43 Cb 0.42 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2rcd n LYS 43 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2rcd s THR 44 N -3.09 2.27 -0.04 -0.18 2.01 -1.16 -4.75 115.64 110.71 2rcd s THR 44 Ca 0.11 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.42 2rcd s THR 44 Cb 0.14 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 2rcd s THR 44 CO 0.56 0.06 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.71 2rcd s VAL 45 N -0.99 1.24 -0.16 3.82 1.01 -1.19 0.49 120.40 124.61 2rcd s VAL 45 Ca 0.53 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2rcd s VAL 45 Cb -0.44 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 34.92 2rcd s VAL 45 CO 0.58 0.36 0.02 -0.60 0.00 0.00 0.00 175.10 175.47 2rcd s ARG 46 N 0.05 0.70 -0.37 2.72 3.52 -0.16 -1.61 118.95 123.80 2rcd s ARG 46 Ca -0.03 -0.30 -0.14 0.00 -0.13 0.00 0.00 55.73 55.13 2rcd s ARG 46 Cb -0.10 -1.83 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 2rcd s ARG 46 CO 0.01 -0.54 0.28 0.71 -0.81 0.00 0.00 175.30 174.95 2rcd s TYR 47 N 1.87 3.23 0.57 5.12 2.02 0.04 -0.46 117.35 129.74 2rcd s TYR 47 Ca 0.01 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2rcd s TYR 47 Cb -0.16 -2.55 0.06 0.00 -0.40 0.00 0.00 41.96 38.91 2rcd s TYR 47 CO -0.07 -0.47 0.51 0.20 -1.57 0.00 0.00 175.55 174.14 2rcd s GLY 48 N 1.71 2.24 0.24 0.71 0.00 0.11 0.11 107.32 112.43 2rcd s GLY 48 Ca 0.06 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.33 2rcd s GLY 48 CO 0.11 -1.90 1.73 0.00 0.00 0.00 0.00 173.10 173.03 2rcd h ALA 49 N 0.57 1.01 0.00 3.20 0.00 -1.83 -3.12 119.26 119.08 2rcd h ALA 49 Ca -0.34 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2rcd h ALA 49 Cb 1.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2rcd h ALA 49 CO 0.53 -0.20 -0.11 0.41 0.00 0.00 0.00 179.25 179.88 2rcd n GLY 50 N -1.32 3.34 3.45 0.00 0.00 -1.26 -4.86 105.19 104.54 2rcd n GLY 50 Ca 0.13 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 2rcd n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rcd s GLU 51 N -1.89 0.97 -0.30 1.61 1.03 -1.18 -5.13 118.70 113.81 2rcd s GLU 51 Ca 0.20 0.15 -0.03 0.00 0.03 0.00 0.00 54.97 55.32 2rcd s GLU 51 Cb 0.17 0.45 0.04 0.00 -0.80 0.00 0.00 34.13 33.99 2rcd s GLU 51 CO 0.02 -0.30 0.02 -0.80 -1.33 0.00 0.00 175.26 172.87 2rcd s ASN 52 N -1.22 4.88 -0.11 0.83 0.01 -1.26 0.07 114.94 118.13 2rcd s ASN 52 Ca -0.12 -1.08 0.01 0.00 -0.71 0.00 0.00 52.86 50.96 2rcd s ASN 52 Cb -0.01 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.88 2rcd s ASN 52 CO 0.09 -0.23 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.55 2rcd s LEU 53 N 1.33 2.71 -0.22 0.60 1.43 0.39 -5.02 118.68 119.91 2rcd s LEU 53 Ca -0.02 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2rcd s LEU 53 Cb -0.19 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.48 2rcd s LEU 53 CO -0.01 0.20 -0.15 -0.31 0.23 0.00 0.00 176.35 176.32 2rcd s TYR 54 N 0.13 2.93 0.00 0.29 1.51 -1.26 -0.99 117.35 119.96 2rcd s TYR 54 Ca -0.07 -1.92 0.00 0.00 -1.01 0.00 0.00 57.07 54.07 2rcd s TYR 54 Cb -0.15 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2rcd s TYR 54 CO 0.05 -0.83 0.00 0.41 -1.11 0.00 0.00 175.55 174.07 2rcd n GLY 55 N 4.55 1.06 0.24 0.71 0.00 0.18 -4.39 105.19 107.54 2rcd n GLY 55 Ca -0.17 -1.71 0.09 0.00 0.00 0.00 0.00 46.02 44.24 2rcd n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2rcd h ILE 56 N 0.00 0.79 0.14 -0.61 6.09 -1.65 -2.64 117.51 119.64 2rcd h ILE 56 Ca 0.00 -0.72 -0.01 0.00 -1.37 0.00 0.00 64.86 62.76 2rcd h ILE 56 Cb 0.00 1.43 0.00 0.00 0.47 0.00 0.00 36.82 38.73 2rcd h ILE 56 CO 0.00 0.18 -0.07 -0.08 -3.07 0.00 0.00 178.15 175.11 2rcd h GLU 57 N 0.00 -0.18 -0.53 2.19 4.81 -1.86 -0.46 114.58 118.55 2rcd h GLU 57 Ca -0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2rcd h GLU 57 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2rcd h GLU 57 CO 0.02 0.10 0.08 0.93 -0.73 0.00 0.00 179.01 179.42 2rcd h GLU 58 N -0.45 0.84 -0.26 1.92 5.08 -1.74 -1.96 114.58 118.01 2rcd h GLU 58 Ca -0.02 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2rcd h GLU 58 Cb 0.36 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2rcd h GLU 58 CO 0.03 0.79 -0.16 0.82 -1.00 0.00 0.00 179.01 179.49 2rcd h ILE 59 N 0.80 1.23 -0.16 3.13 2.04 -1.31 -1.16 117.51 122.08 2rcd h ILE 59 Ca 0.17 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2rcd h ILE 59 Cb 0.36 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2rcd h ILE 59 CO 0.01 0.34 -0.14 0.03 0.00 0.00 0.00 178.15 178.39 2rcd h ARG 60 N 0.41 0.37 -0.00 2.37 3.08 -0.74 -1.45 114.38 118.42 2rcd h ARG 60 Ca 0.07 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 59.97 2rcd h ARG 60 Cb 0.52 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 2rcd h ARG 60 CO 0.03 0.74 -0.41 0.00 -1.07 0.00 0.00 179.97 179.26 2rcd h ALA 61 N 0.63 -0.65 -0.75 0.04 0.00 -1.20 -2.09 119.26 115.23 2rcd h ALA 61 Ca 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2rcd h ALA 61 Cb 0.66 0.73 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 2rcd h ALA 61 CO 0.04 -0.95 -0.24 0.35 0.00 0.00 0.00 179.25 178.45 2rcd h PHE 62 N -0.57 -0.57 -0.63 0.00 3.57 -1.14 -1.41 116.94 116.19 2rcd h PHE 62 Ca 0.05 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2rcd h PHE 62 Cb 0.65 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 2rcd h PHE 62 CO -0.42 -0.35 0.35 0.00 -2.23 0.00 0.00 178.31 175.66 2rcd h ARG 63 N -0.04 0.64 -0.04 1.11 2.47 -0.59 -0.81 114.38 117.12 2rcd h ARG 63 Ca 0.34 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.83 2rcd h ARG 63 Cb 0.57 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2rcd h ARG 63 CO -0.79 0.42 -0.79 -0.07 0.56 0.00 0.00 179.97 179.31 2rcd h LEU 64 N 0.66 0.40 -0.53 3.04 3.38 -0.91 -3.09 115.31 118.26 2rcd h LEU 64 Ca 0.28 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2rcd h LEU 64 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2rcd h LEU 64 CO -0.17 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2rcd h ALA 65 N 0.95 1.00 -2.66 1.53 0.00 -0.81 -3.46 119.26 115.80 2rcd h ALA 65 Ca -0.04 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 2rcd h ALA 65 Cb 1.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 2rcd h ALA 65 CO 0.13 0.00 0.53 0.50 0.00 0.00 0.00 179.25 180.41 2rcd s ARG 66 N -3.30 4.53 0.29 0.00 3.52 -0.35 -5.01 118.95 118.63 2rcd s ARG 66 Ca 0.06 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.18 2rcd s ARG 66 Cb 0.10 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 30.13 2rcd s ARG 66 CO 0.52 -0.02 1.34 -2.14 -0.81 0.00 0.00 175.30 174.18 2rcd s PRO 67 N -0.31 4.34 0.24 5.12 0.02 -1.26 -4.95 135.00 138.20 2rcd s PRO 67 Ca 0.51 2.21 0.23 0.00 0.02 0.00 0.00 61.00 63.98 2rcd s PRO 67 Cb -0.31 -3.10 0.24 0.00 0.02 0.00 0.00 34.50 31.35 2rcd s PRO 67 CO 0.36 -0.25 1.32 0.66 -0.33 0.00 0.00 177.00 178.76 2rcd h SER 68 N 4.08 0.00 -3.34 2.53 4.64 -1.97 -3.46 113.55 116.03 2rcd h SER 68 Ca -0.48 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.27 2rcd h SER 68 Cb 1.22 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.36 2rcd h SER 68 CO 0.70 0.03 0.73 0.00 -0.87 0.00 0.00 176.83 177.42 2rcd s ALA 69 N -3.25 3.60 -0.99 5.18 0.00 -1.26 -3.54 121.76 121.50 2rcd s ALA 69 Ca 0.04 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 2rcd s ALA 69 Cb 0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2rcd s ALA 69 CO 0.73 -0.67 0.45 0.41 0.00 0.00 0.00 175.76 176.67 2rcd n GLY 70 N 2.38 -0.09 0.09 0.00 0.00 -1.26 -4.93 105.19 101.39 2rcd n GLY 70 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 2rcd n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rcd h LEU 71 N -1.03 0.00 -9.96 0.99 3.38 -1.84 -3.46 115.31 103.38 2rcd h LEU 71 Ca -0.35 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.07 2rcd h LEU 71 Cb 1.24 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.12 2rcd h LEU 71 CO 0.37 0.80 0.61 -0.67 0.09 0.00 0.00 178.44 179.64 2rcd n ASP 72 N -3.24 2.91 -3.54 -0.43 2.03 -1.26 -4.64 116.55 108.37 2rcd n ASP 72 Ca -0.02 1.07 -0.16 0.00 0.52 0.00 0.00 54.79 56.20 2rcd n ASP 72 Cb 0.87 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 2rcd n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rcd s ARG 73 N -2.54 1.05 -0.23 -0.67 1.70 -1.26 -4.81 118.95 112.18 2rcd s ARG 73 Ca 0.65 0.07 -0.13 0.00 -0.47 0.00 0.00 55.73 55.84 2rcd s ARG 73 Cb -0.45 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 2rcd s ARG 73 CO 0.55 -0.35 0.29 0.00 -1.08 0.00 0.00 175.30 174.70 2rcd s ALA 74 N -1.66 3.58 0.74 7.88 0.00 -0.73 -4.95 121.76 126.61 2rcd s ALA 74 Ca -0.09 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2rcd s ALA 74 Cb -0.01 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.64 2rcd s ALA 74 CO 0.05 -0.32 1.10 -0.51 0.00 0.00 0.00 175.76 176.09 2rcd s LEU 75 N 1.34 2.79 -0.24 0.00 1.43 -1.26 -1.12 118.68 121.61 2rcd s LEU 75 Ca 0.13 1.15 -0.26 0.00 -1.03 0.00 0.00 54.13 54.12 2rcd s LEU 75 Cb -0.14 -3.88 0.11 0.00 0.03 0.00 0.00 46.19 42.31 2rcd s LEU 75 CO 0.07 -1.55 0.96 -0.60 0.23 0.00 0.00 176.35 175.46 2rcd s ARG 76 N -5.32 0.61 -1.33 1.70 3.52 -0.37 -4.89 118.95 112.86 2rcd s ARG 76 Ca 0.59 0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 56.74 2rcd s ARG 76 Cb -0.12 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2rcd s ARG 76 CO 0.52 -0.11 0.66 0.09 -0.81 0.00 0.00 175.30 175.65 2rcd n ASN 77 N 1.92 -1.10 -4.71 -2.12 3.02 -1.26 -0.64 115.26 110.37 2rcd n ASN 77 Ca -0.13 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.16 2rcd n ASN 77 Cb 0.56 -3.89 -0.04 0.00 -0.61 0.00 0.00 39.78 35.81 2rcd n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rcd s THR 78 N -3.71 4.94 -0.20 3.41 2.01 -1.26 -4.11 115.64 116.72 2rcd s THR 78 Ca 0.02 1.77 0.00 0.00 0.31 0.00 0.00 61.69 63.79 2rcd s THR 78 Cb -0.01 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.36 2rcd s THR 78 CO 0.83 0.17 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.17 2rcd s VAL 79 N 1.11 1.42 -0.22 3.82 1.01 0.25 -5.00 120.40 122.79 2rcd s VAL 79 Ca 0.45 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2rcd s VAL 79 Cb -0.19 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2rcd s VAL 79 CO 0.22 0.08 -0.09 -0.63 0.00 0.00 0.00 175.10 174.68 2rcd s ILE 80 N 1.48 2.84 -0.09 2.22 1.01 -1.26 -0.74 121.20 126.66 2rcd s ILE 80 Ca -0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.87 2rcd s ILE 80 Cb -0.17 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 39.99 2rcd s ILE 80 CO -0.08 0.38 -0.17 -0.89 0.00 0.00 0.00 174.94 174.19 2rcd s THR 81 N 1.37 1.52 0.07 2.92 2.01 -0.43 -5.00 115.64 118.12 2rcd s THR 81 Ca 0.04 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.37 2rcd s THR 81 Cb -0.15 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2rcd s THR 81 CO -0.06 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.79 2rcd s THR 82 N 0.63 4.46 -0.26 -0.82 -4.23 -1.26 -0.82 115.64 113.34 2rcd s THR 82 Ca -0.14 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2rcd s THR 82 Cb -0.16 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.62 2rcd s THR 82 CO 0.04 0.15 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.96 2rcd s TYR 83 N -1.35 2.32 0.00 3.99 2.02 -1.26 -1.02 117.35 122.04 2rcd s TYR 83 Ca 0.28 -1.84 0.00 0.00 -0.37 0.00 0.00 57.07 55.14 2rcd s TYR 83 Cb -0.12 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 2rcd s TYR 83 CO 0.20 -0.80 0.00 0.41 -1.57 0.00 0.00 175.55 173.79 2rcd n GLY 84 N 4.68 0.91 0.67 0.71 0.00 0.22 -3.95 105.19 108.43 2rcd n GLY 84 Ca -0.08 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.27 2rcd n GLY 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2rcd n HIS 85 N 5.79 0.00 -2.93 1.61 1.44 -1.26 -4.75 115.22 115.11 2rcd n HIS 85 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2rcd n HIS 85 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 2rcd n HIS 85 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2rcd n ASP 86 N 0.71 -1.14 0.00 4.39 5.68 -1.25 -4.90 116.55 120.04 2rcd n ASP 86 Ca 0.10 -3.30 0.00 0.00 -0.50 0.00 0.00 54.79 51.09 2rcd n ASP 86 Cb 0.46 0.81 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 2rcd n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rcd n ALA 88 N 0.67 0.00 -3.85 2.12 0.00 0.47 -1.72 120.51 118.20 2rcd n ALA 88 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2rcd n ALA 88 Cb 0.66 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.94 2rcd n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rcd s VAL 89 N -2.00 1.63 -0.17 0.00 1.01 0.00 -0.40 120.40 120.47 2rcd s VAL 89 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2rcd s VAL 89 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2rcd s VAL 89 CO 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 2rcd s ALA 90 N 1.21 2.88 -0.03 5.51 0.00 -0.08 -1.31 121.76 129.95 2rcd s ALA 90 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2rcd s ALA 90 Cb -0.14 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 2rcd s ALA 90 CO -0.06 0.03 -0.13 -1.12 0.00 0.00 0.00 175.76 174.47 2rcd s SER 91 N 0.69 1.66 0.02 0.00 0.01 0.08 -0.55 113.70 115.61 2rcd s SER 91 Ca -0.03 -0.26 -0.21 0.00 1.31 0.00 0.00 55.95 56.76 2rcd s SER 91 Cb -0.15 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.77 2rcd s SER 91 CO 0.02 0.13 0.47 0.28 0.41 0.00 0.00 173.24 174.55 2rcd s THR 92 N -0.04 0.04 0.33 1.44 -1.32 -0.52 -0.58 115.64 114.98 2rcd s THR 92 Ca -0.00 -0.32 0.06 0.00 -1.21 0.00 0.00 61.69 60.21 2rcd s THR 92 Cb -0.08 -0.90 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 2rcd s THR 92 CO 0.01 -0.18 0.47 -1.61 -2.21 0.00 0.00 174.62 171.10 2rcd s GLU 93 N -1.99 3.17 0.09 7.08 2.02 0.18 -0.88 118.70 128.37 2rcd s GLU 93 Ca -0.08 -0.93 -0.21 0.00 0.02 0.00 0.00 54.97 53.78 2rcd s GLU 93 Cb -0.02 -2.81 0.05 0.00 0.10 0.00 0.00 34.13 31.45 2rcd s GLU 93 CO 0.01 0.10 0.50 -0.59 0.02 0.00 0.00 175.26 175.30 2rcd s PHE 94 N -2.17 -0.38 0.27 1.61 -0.12 0.14 -1.24 117.98 116.09 2rcd s PHE 94 Ca 0.43 0.28 0.02 0.00 -0.05 0.00 0.00 56.93 57.62 2rcd s PHE 94 Cb -0.09 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 2rcd s PHE 94 CO 0.31 -0.69 0.07 0.95 -0.05 0.00 0.00 175.22 175.81 2rcd s THR 95 N -3.03 0.81 0.06 -4.49 -4.23 -0.27 -0.76 115.64 103.72 2rcd s THR 95 Ca -0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 2rcd s THR 95 Cb -0.00 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 2rcd s THR 95 CO -0.06 -0.07 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.75 2rcd s ARG 96 N -3.96 0.65 0.28 3.99 0.52 -1.26 -1.78 118.95 117.38 2rcd s ARG 96 Ca 0.36 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2rcd s ARG 96 Cb 0.08 -0.21 0.43 0.00 0.52 0.00 0.00 34.95 35.76 2rcd s ARG 96 CO 0.13 0.01 1.91 1.79 0.02 0.00 0.00 175.30 179.16 2rcd h THR 97 N 3.80 1.13 0.00 0.02 1.35 -1.98 -3.20 112.91 114.03 2rcd h THR 97 Ca -0.35 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2rcd h THR 97 Cb 1.18 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2rcd h THR 97 CO 0.52 0.21 -0.00 1.23 -0.25 0.00 0.00 175.52 177.23 2rcd h GLY 98 N 1.16 -0.01 -1.24 5.82 0.00 -1.97 -3.48 103.07 103.36 2rcd h GLY 98 Ca 0.39 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.22 2rcd h GLY 98 CO -0.13 -0.00 0.29 -0.45 0.00 0.00 0.00 176.54 176.25 2rcd s SER 99 N -6.05 4.12 -0.07 0.19 0.15 -1.21 -5.01 113.70 105.82 2rcd s SER 99 Ca -0.18 1.73 0.08 0.00 0.70 0.00 0.00 55.95 58.28 2rcd s SER 99 Cb -0.02 -2.42 -0.11 0.00 -1.71 0.00 0.00 66.02 61.77 2rcd s SER 99 CO 0.67 -2.26 0.06 1.07 1.20 0.00 0.00 173.24 173.97 2rcd n THR 100 N -3.66 0.45 -2.08 6.45 5.66 -1.26 -4.68 114.28 115.16 2rcd n THR 100 Ca 0.08 -0.32 -0.33 0.00 -3.05 0.00 0.00 64.05 60.44 2rcd n THR 100 Cb 0.54 -0.57 0.01 0.00 -1.55 0.00 0.00 70.33 68.75 2rcd n THR 100 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2rcd s LYS 101 N -2.28 3.38 -0.18 1.09 3.01 -1.26 -5.05 119.74 118.46 2rcd s LYS 101 Ca -0.04 1.17 -0.09 0.00 -1.01 0.00 0.00 55.97 56.00 2rcd s LYS 101 Cb 0.03 -2.04 -0.05 0.00 -1.01 0.00 0.00 37.83 34.76 2rcd s LYS 101 CO 0.34 -0.75 0.14 0.42 0.51 0.00 0.00 175.35 176.01 2rcd s ILE 102 N -2.48 5.43 -0.01 2.17 1.01 -1.26 -4.78 121.20 121.28 2rcd s ILE 102 Ca 0.63 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 2rcd s ILE 102 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2rcd s ILE 102 CO 0.37 0.48 0.19 -0.83 0.00 0.00 0.00 174.94 175.15 2rcd s GLY 103 N 0.01 2.18 0.01 6.18 0.00 0.06 -4.42 107.32 111.34 2rcd s GLY 103 Ca 0.10 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.11 2rcd s GLY 103 CO -0.00 -0.63 -0.11 0.50 0.00 0.00 0.00 173.10 172.86 2rcd s ARG 104 N -1.92 0.83 0.32 2.90 3.00 -0.13 0.25 118.95 124.20 2rcd s ARG 104 Ca 0.27 -0.50 0.04 0.00 0.00 0.00 0.00 55.73 55.54 2rcd s ARG 104 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 34.95 33.99 2rcd s ARG 104 CO 0.18 0.21 0.18 -1.14 0.00 0.00 0.00 175.30 174.73 2rcd s GLN 105 N -0.59 1.66 0.00 3.54 0.74 -0.06 -1.67 119.66 123.28 2rcd s GLN 105 Ca 0.02 -1.96 0.00 0.00 0.05 0.00 0.00 55.36 53.48 2rcd s GLN 105 Cb -0.05 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.01 2rcd s GLN 105 CO 0.00 -0.50 0.00 1.04 -0.55 0.00 0.00 175.29 175.28 2rcd n GLN 107 N -0.62 0.00 -3.73 1.67 6.02 0.29 -1.44 117.38 119.57 2rcd n GLN 107 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 2rcd n GLN 107 Cb 0.64 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.78 2rcd n GLN 107 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2rcd s THR 108 N -0.49 4.39 -0.12 5.09 2.01 -0.29 -0.90 115.64 125.33 2rcd s THR 108 Ca 0.00 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 2rcd s THR 108 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2rcd s THR 108 CO 0.00 0.28 0.16 0.26 -0.69 0.00 0.00 174.62 174.62 2rcd s TRP 109 N 1.62 3.59 -0.03 4.92 0.52 0.46 -1.31 118.94 128.71 2rcd s TRP 109 Ca 0.06 0.54 0.03 0.00 0.02 0.00 0.00 56.10 56.75 2rcd s TRP 109 Cb -0.16 -1.98 -0.00 0.00 -1.15 0.00 0.00 33.47 30.19 2rcd s TRP 109 CO 0.04 0.70 -0.12 0.08 0.02 0.00 0.00 176.95 177.68 2rcd s VAL 110 N -0.93 0.97 0.56 4.03 1.01 -0.09 -0.40 120.40 125.56 2rcd s VAL 110 Ca 0.15 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 2rcd s VAL 110 Cb -0.12 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 2rcd s VAL 110 CO 0.04 0.29 1.00 -0.75 0.00 0.00 0.00 175.10 175.68 2rcd s LYS 111 N 0.07 3.77 -0.00 2.72 2.20 -0.70 -1.25 119.74 126.55 2rcd s LYS 111 Ca -0.02 0.83 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 2rcd s LYS 111 Cb -0.09 -2.12 -0.25 0.00 -1.51 0.00 0.00 37.83 33.86 2rcd s LYS 111 CO 0.01 -0.41 0.83 -1.35 -0.36 0.00 0.00 175.35 174.07 2rcd h PRO 113 N 0.32 0.15 0.00 4.03 0.11 -2.04 -3.48 132.00 131.10 2rcd h PRO 113 Ca -0.45 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.39 2rcd h PRO 113 Cb 1.19 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2rcd h PRO 113 CO 0.62 0.96 0.00 1.05 -0.21 0.00 0.00 178.00 180.41 2rcd h GLU 114 N 0.04 0.00 0.00 1.05 9.09 -2.03 -3.49 114.58 119.24 2rcd h GLU 114 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.18 2rcd h GLU 114 Cb 1.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.08 2rcd h GLU 114 CO 0.13 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.60 2rcd n GLY 115 N 0.56 0.95 3.73 1.06 0.00 -1.26 -5.07 105.19 105.16 2rcd n GLY 115 Ca 0.03 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2rcd n GLY 115 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rcd s TRP 116 N -1.17 2.95 0.00 1.61 0.52 -1.26 -4.57 118.94 117.01 2rcd s TRP 116 Ca 0.00 0.68 0.01 0.00 0.02 0.00 0.00 56.10 56.81 2rcd s TRP 116 Cb 0.00 -3.98 -0.00 0.00 -1.15 0.00 0.00 33.47 28.33 2rcd s TRP 116 CO 0.00 -3.50 -0.02 1.03 0.02 0.00 0.00 176.95 174.47 2rcd s ARG 117 N 0.48 0.19 -0.39 4.98 1.81 -0.38 -4.85 118.95 120.78 2rcd s ARG 117 Ca 0.67 -0.13 -0.26 0.00 -1.72 0.00 0.00 55.73 54.29 2rcd s ARG 117 Cb -0.46 -0.15 0.02 0.00 -0.45 0.00 0.00 34.95 33.91 2rcd s ARG 117 CO 0.38 0.04 0.96 0.42 -0.68 0.00 0.00 175.30 176.41 2rcd s ILE 118 N -0.18 4.52 -0.27 1.52 1.01 0.11 -0.91 121.20 127.00 2rcd s ILE 118 Ca -0.01 1.15 0.23 0.00 0.00 0.00 0.00 60.65 62.02 2rcd s ILE 118 Cb -0.02 -4.39 0.04 0.00 0.01 0.00 0.00 42.46 38.11 2rcd s ILE 118 CO -0.00 -0.64 1.12 -0.37 0.00 0.00 0.00 174.94 175.05 2rcd h VAL 119 N 5.91 0.00 -1.99 2.92 -1.51 -1.52 -0.99 116.25 119.07 2rcd h VAL 119 Ca -0.23 -0.99 -0.04 0.00 -1.23 0.00 0.00 66.70 64.21 2rcd h VAL 119 Cb 1.07 1.55 -0.21 0.00 -2.13 0.00 0.00 31.29 31.57 2rcd h VAL 119 CO 1.01 0.00 0.14 0.00 -1.23 0.00 0.00 177.57 177.49 2rcd s ALA 120 N -3.34 -1.78 -0.05 5.19 0.00 -1.22 -3.16 121.76 117.40 2rcd s ALA 120 Ca 0.01 1.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.85 2rcd s ALA 120 Cb 0.09 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.14 2rcd s ALA 120 CO 0.77 -0.34 0.21 0.00 0.00 0.00 0.00 175.76 176.40 2rcd s ALA 121 N 0.25 -0.52 -0.06 0.00 0.00 -0.63 -1.14 121.76 119.66 2rcd s ALA 121 Ca -0.01 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2rcd s ALA 121 Cb -0.05 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2rcd s ALA 121 CO 0.02 -0.16 -0.06 -1.58 0.00 0.00 0.00 175.76 173.97 2rcd s HIS 122 N -0.59 0.97 -0.04 0.00 5.65 -1.26 -0.78 115.29 119.25 2rcd s HIS 122 Ca -0.07 -0.33 0.02 0.00 0.25 0.00 0.00 55.06 54.94 2rcd s HIS 122 Cb -0.04 -0.82 0.01 0.00 -1.18 0.00 0.00 32.58 30.55 2rcd s HIS 122 CO 0.01 -0.25 -0.09 0.08 -0.65 0.00 0.00 174.74 173.85 2rcd s VAL 123 N 1.00 0.82 0.25 0.89 1.01 0.29 -4.29 120.40 120.37 2rcd s VAL 123 Ca -0.09 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2rcd s VAL 123 Cb -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2rcd s VAL 123 CO -0.00 0.27 0.59 -0.94 0.00 0.00 0.00 175.10 175.01 2rcd s SER 124 N 0.41 -0.20 0.00 3.32 1.04 -0.67 -2.26 113.70 115.33 2rcd s SER 124 Ca -0.07 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2rcd s SER 124 Cb -0.11 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2rcd s SER 124 CO 0.01 -1.20 0.00 0.18 0.98 0.00 0.00 173.24 173.21 2rcd n LEU 125 N -0.40 0.00 -0.43 2.42 4.77 -1.26 -0.96 117.00 121.14 2rcd n LEU 125 Ca -0.05 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.99 2rcd n LEU 125 Cb 0.61 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2rcd n LEU 125 CO 0.18 0.00 0.42 -1.54 -1.33 0.00 0.00 177.39 175.12