#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsk n PHE 14 N 0.00 0.76 0.19 2.61 7.35 -1.26 -4.11 117.46 123.00 2bsk n PHE 14 Ca 0.00 0.24 -0.15 0.00 -0.76 0.00 0.00 57.45 56.79 2bsk n PHE 14 Cb 0.00 -0.96 -0.08 0.00 0.35 0.00 0.00 39.48 38.79 2bsk n PHE 14 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2bsk h LYS 15 N 0.00 -0.40 -0.97 -4.13 6.56 -2.05 -2.73 116.57 112.85 2bsk h LYS 15 Ca -0.13 0.03 0.32 0.00 -1.06 0.00 0.00 60.65 59.81 2bsk h LYS 15 Cb 1.40 0.09 -0.17 0.00 -0.57 0.00 0.00 32.23 32.98 2bsk h LYS 15 CO 0.03 -0.24 0.32 1.05 -2.06 0.00 0.00 179.45 178.54 2bsk h GLU 16 N -0.46 0.09 -0.06 3.15 4.11 -1.99 0.52 114.58 119.94 2bsk h GLU 16 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2bsk h GLU 16 Cb 0.35 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2bsk h GLU 16 CO 0.07 0.06 -0.01 0.35 0.07 0.00 0.00 179.01 179.55 2bsk h PHE 17 N 0.09 0.13 -0.61 2.06 3.57 -1.69 0.01 116.94 120.51 2bsk h PHE 17 Ca 0.69 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 62.13 2bsk h PHE 17 Cb 1.61 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 2bsk h PHE 17 CO -0.22 0.44 0.24 -0.07 -2.23 0.00 0.00 178.31 176.48 2bsk h LEU 18 N -0.22 0.81 0.25 0.59 3.38 -0.52 0.39 115.31 119.98 2bsk h LEU 18 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2bsk h LEU 18 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2bsk h LEU 18 CO 0.01 0.73 -0.22 1.23 0.09 0.00 0.00 178.44 180.28 2bsk h GLY 19 N 0.98 -0.49 0.10 0.83 0.00 0.04 0.26 103.07 104.78 2bsk h GLY 19 Ca 0.21 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2bsk h GLY 19 CO -0.02 -0.21 -0.20 -0.84 0.00 0.00 0.00 176.54 175.27 2bsk h THR 20 N -0.48 0.00 0.00 4.70 2.02 -0.43 -2.15 112.91 116.58 2bsk h THR 20 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2bsk h THR 20 Cb 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2bsk h THR 20 CO -0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.86 2bsk n TYR 21 N -3.57 0.00 -0.35 3.16 9.36 0.13 0.22 117.16 126.10 2bsk n TYR 21 Ca -0.04 0.00 0.37 0.00 3.32 0.00 0.00 57.90 61.55 2bsk n TYR 21 Cb 0.17 -0.17 0.69 0.00 -0.63 0.00 0.00 39.34 39.40 2bsk n TYR 21 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2bsk h ASN 22 N 0.00 0.00 1.31 2.98 2.35 -0.33 1.35 115.58 123.24 2bsk h ASN 22 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2bsk h ASN 22 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2bsk h ASN 22 CO 0.00 0.00 -0.70 0.50 -1.65 0.00 0.00 177.43 175.58 2bsk h LYS 23 N 0.00 0.00 0.00 0.81 3.64 0.33 -2.96 116.57 118.40 2bsk h LYS 23 Ca 0.60 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.98 2bsk h LYS 23 Cb 2.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.54 2bsk h LYS 23 CO -0.01 0.62 -0.00 1.25 -2.27 0.00 0.00 179.45 179.04 2bsk h LEU 24 N 0.00 -0.01 -0.87 5.20 5.85 0.34 -1.71 115.31 124.12 2bsk h LEU 24 Ca -0.02 -0.69 0.11 0.00 0.84 0.00 0.00 57.88 58.12 2bsk h LEU 24 Cb 1.51 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.41 2bsk h LEU 24 CO 0.08 0.69 -0.48 0.74 -0.34 0.00 0.00 178.44 179.14 2bsk h THR 25 N -0.71 0.02 0.00 1.05 2.02 -1.24 0.30 112.91 114.35 2bsk h THR 25 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2bsk h THR 25 Cb 0.70 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2bsk h THR 25 CO 0.00 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.10 2bsk n GLU 26 N -5.38 0.00 -0.32 6.66 2.13 -1.12 -1.16 120.64 121.46 2bsk n GLU 26 Ca 0.05 0.46 0.16 0.00 0.66 0.00 0.00 57.16 58.48 2bsk n GLU 26 Cb 0.34 -1.36 0.32 0.00 0.27 0.00 0.00 31.44 31.01 2bsk n GLU 26 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2bsk h THR 27 N 0.00 0.12 -0.21 6.31 2.02 -0.82 0.90 112.91 121.23 2bsk h THR 27 Ca 0.00 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 2bsk h THR 27 Cb 0.00 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 2bsk h THR 27 CO 0.00 0.01 -0.31 0.00 0.37 0.00 0.00 175.52 175.60 2bsk h PHE 29 N 0.36 -1.12 -0.19 0.00 3.57 0.23 0.58 116.94 120.38 2bsk h PHE 29 Ca 0.05 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.59 2bsk h PHE 29 Cb 0.72 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2bsk h PHE 29 CO 0.02 -0.61 0.17 -0.07 -2.23 0.00 0.00 178.31 175.59 2bsk h LEU 30 N -1.00 0.00 0.00 0.59 3.38 -1.40 -0.81 115.31 116.08 2bsk h LEU 30 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2bsk h LEU 30 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2bsk h LEU 30 CO 0.07 0.00 -1.25 0.47 0.09 0.00 0.00 178.44 177.82 2bsk n ASP 31 N -4.10 0.70 -0.11 -0.43 8.00 -1.09 -4.66 116.55 114.87 2bsk n ASP 31 Ca 0.02 0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.61 2bsk n ASP 31 Cb 0.30 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 41.99 2bsk n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bsk s VAL 33 N -2.70 3.35 0.00 0.00 1.01 -0.38 -4.83 120.40 116.86 2bsk s VAL 33 Ca -0.33 1.18 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2bsk s VAL 33 Cb 0.09 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2bsk s VAL 33 CO 0.45 0.21 0.00 0.29 0.00 0.00 0.00 175.10 176.04 2bsk n LYS 34 N 2.15 0.00 -2.87 2.72 5.02 -1.26 -4.78 118.16 119.14 2bsk n LYS 34 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2bsk n LYS 34 Cb 0.44 -0.20 -0.04 0.00 -0.02 0.00 0.00 35.03 35.21 2bsk n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bsk s ASP 35 N -3.76 7.18 -0.49 4.39 2.15 -1.26 -4.99 116.67 119.88 2bsk s ASP 35 Ca 0.00 1.43 0.06 0.00 0.43 0.00 0.00 52.55 54.46 2bsk s ASP 35 Cb 0.00 -2.49 0.39 0.00 -0.30 0.00 0.00 42.92 40.51 2bsk s ASP 35 CO 0.00 -0.20 1.03 0.49 -0.17 0.00 0.00 175.17 176.32 2bsk n PHE 36 N 3.87 3.54 0.54 -5.34 3.01 -1.26 -4.73 117.46 117.09 2bsk n PHE 36 Ca 0.03 -3.49 0.11 0.00 1.01 0.00 0.00 57.45 55.10 2bsk n PHE 36 Cb 0.51 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 2bsk n PHE 36 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2bsk n THR 37 N -0.35 0.12 -3.25 4.37 -2.24 -1.26 -4.99 114.28 106.68 2bsk n THR 37 Ca 0.34 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2bsk n THR 37 Cb 0.55 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2bsk n THR 37 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bsk n THR 38 N -1.94 0.00 0.04 4.28 -2.24 -1.26 -5.06 114.28 108.10 2bsk n THR 38 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2bsk n THR 38 Cb 0.44 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2bsk n THR 38 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2bsk n ARG 39 N 0.00 4.87 -3.53 -0.78 0.63 -1.26 -5.02 116.66 111.58 2bsk n ARG 39 Ca 0.00 -0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.56 2bsk n ARG 39 Cb 0.00 -0.68 -0.07 0.00 0.45 0.00 0.00 32.46 32.16 2bsk n ARG 39 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2bsk s GLU 40 N -1.37 4.26 -0.79 -0.14 2.12 -1.26 -4.99 118.70 116.54 2bsk s GLU 40 Ca 0.00 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.22 2bsk s GLU 40 Cb 0.01 -3.42 -0.17 0.00 0.26 0.00 0.00 34.13 30.80 2bsk s GLU 40 CO 0.05 0.24 2.40 1.33 -0.54 0.00 0.00 175.26 178.73 2bsk n VAL 41 N 3.57 -0.02 -0.86 3.70 0.24 -1.26 -4.82 118.33 118.87 2bsk n VAL 41 Ca -0.12 -0.52 -0.29 0.00 -2.04 0.00 0.00 64.34 61.37 2bsk n VAL 41 Cb 0.52 -1.62 -0.02 0.00 -1.47 0.00 0.00 33.84 31.26 2bsk n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bsk n LYS 42 N 8.14 0.00 -0.22 7.34 4.81 -1.26 -4.47 118.16 132.50 2bsk n LYS 42 Ca 0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.91 2bsk n LYS 42 Cb 0.35 -0.62 0.14 0.00 0.02 0.00 0.00 35.03 34.92 2bsk n LYS 42 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2bsk h PRO 43 N 0.55 1.03 -0.30 1.64 0.13 -1.99 -1.42 132.00 131.64 2bsk h PRO 43 Ca -0.18 -0.18 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2bsk h PRO 43 Cb 0.89 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2bsk h PRO 43 CO 0.34 0.84 0.18 1.49 -0.23 0.00 0.00 178.00 180.63 2bsk h GLU 44 N 1.01 0.40 0.08 0.86 4.81 -2.01 -3.00 114.58 116.73 2bsk h GLU 44 Ca 0.23 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 59.12 2bsk h GLU 44 Cb 0.20 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2bsk h GLU 44 CO -0.02 0.28 -1.73 1.05 -0.73 0.00 0.00 179.01 177.86 2bsk h GLU 45 N 0.41 0.17 0.00 1.92 4.11 -1.83 -3.25 114.58 116.11 2bsk h GLU 45 Ca 0.11 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2bsk h GLU 45 Cb -0.02 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2bsk h GLU 45 CO -0.02 0.94 0.26 0.00 0.07 0.00 0.00 179.01 180.26 2bsk h THR 46 N 0.05 0.00 0.00 -1.06 1.03 -1.12 -0.83 112.91 110.98 2bsk h THR 46 Ca -0.31 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.07 2bsk h THR 46 Cb 2.02 0.59 -0.00 0.00 -1.07 0.00 0.00 68.15 69.68 2bsk h THR 46 CO 0.11 0.00 -0.32 0.74 -0.01 0.00 0.00 175.52 176.04 2bsk h THR 47 N 0.00 0.16 -0.99 0.00 2.02 -1.63 -3.28 112.91 109.20 2bsk h THR 47 Ca 0.00 -1.16 0.16 0.00 0.77 0.00 0.00 66.41 66.19 2bsk h THR 47 Cb 0.52 0.34 -0.17 0.00 -1.74 0.00 0.00 68.15 67.11 2bsk h THR 47 CO 0.00 0.06 -0.36 0.00 0.37 0.00 0.00 175.52 175.59 2bsk h SER 49 N -0.00 -0.74 -0.61 0.00 0.02 -1.35 0.64 113.55 111.51 2bsk h SER 49 Ca 0.37 0.11 0.12 0.00 -0.84 0.00 0.00 61.79 61.56 2bsk h SER 49 Cb 0.62 0.33 -0.11 0.00 0.14 0.00 0.00 62.40 63.38 2bsk h SER 49 CO -0.99 -0.08 -0.13 -0.33 -1.14 0.00 0.00 176.83 174.16 2bsk h GLU 50 N -0.01 0.01 -0.61 3.45 5.08 -0.43 0.42 114.58 122.49 2bsk h GLU 50 Ca 0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2bsk h GLU 50 Cb 0.14 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2bsk h GLU 50 CO -0.32 0.01 0.37 0.45 -1.00 0.00 0.00 179.01 178.52 2bsk h HIS 51 N 0.01 0.80 -0.81 4.33 3.86 0.08 -0.69 115.15 122.74 2bsk h HIS 51 Ca 0.30 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.54 2bsk h HIS 51 Cb 0.46 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 2bsk h HIS 51 CO -0.48 0.55 0.51 0.00 0.86 0.00 0.00 177.93 179.37 2bsk h LEU 53 N 0.98 -0.24 0.06 0.00 5.85 0.22 -1.30 115.31 120.89 2bsk h LEU 53 Ca 0.33 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2bsk h LEU 53 Cb 0.04 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2bsk h LEU 53 CO -0.13 -0.17 -0.03 1.56 -0.34 0.00 0.00 178.44 179.33 2bsk h GLN 54 N -0.28 -0.08 -0.79 1.25 1.08 -0.55 -2.49 115.11 113.23 2bsk h GLN 54 Ca -0.03 0.01 0.33 0.00 -1.45 0.00 0.00 58.65 57.51 2bsk h GLN 54 Cb 0.22 0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 27.52 2bsk h GLN 54 CO 0.05 -0.06 0.42 1.17 -0.95 0.00 0.00 178.83 179.46 2bsk n LYS 55 N -2.24 -0.05 0.28 1.46 3.00 0.20 -0.71 118.16 120.11 2bsk n LYS 55 Ca -0.01 1.10 -0.11 0.00 -0.00 0.00 0.00 58.31 59.28 2bsk n LYS 55 Cb 0.03 -1.96 -0.05 0.00 0.00 0.00 0.00 35.03 33.05 2bsk n LYS 55 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2bsk h TYR 56 N 0.00 -0.67 -0.53 5.64 3.20 -1.10 -1.57 116.97 121.93 2bsk h TYR 56 Ca 0.67 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.63 2bsk h TYR 56 Cb 1.76 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 40.15 2bsk h TYR 56 CO -0.02 -0.42 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.78 2bsk h LEU 57 N -0.94 -0.81 -1.42 2.82 3.38 -0.45 0.79 115.31 118.67 2bsk h LEU 57 Ca -0.07 0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.32 2bsk h LEU 57 Cb 0.56 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2bsk h LEU 57 CO 0.12 -0.25 0.64 0.11 0.09 0.00 0.00 178.44 179.15 2bsk h LYS 58 N -0.11 0.41 -0.05 1.13 1.79 -1.21 0.48 116.57 119.01 2bsk h LYS 58 Ca 0.24 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 2bsk h LYS 58 Cb 0.49 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2bsk h LYS 58 CO -0.60 0.27 -0.09 1.98 -1.08 0.00 0.00 179.45 179.93 2bsk h MET 59 N 0.42 0.15 -0.79 3.15 1.85 0.16 -2.57 114.93 117.29 2bsk h MET 59 Ca 0.54 -0.09 0.01 0.00 -0.61 0.00 0.00 59.70 59.55 2bsk h MET 59 Cb 1.34 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 33.34 2bsk h MET 59 CO -0.24 0.67 0.52 1.79 -0.40 0.00 0.00 176.91 179.25 2bsk h THR 60 N -0.36 1.18 -0.06 -0.77 1.35 0.49 -0.55 112.91 114.20 2bsk h THR 60 Ca 0.00 -0.36 0.03 0.00 -0.55 0.00 0.00 66.41 65.53 2bsk h THR 60 Cb 0.66 0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 2bsk h THR 60 CO 0.02 0.19 -0.10 1.56 -0.25 0.00 0.00 175.52 176.95 2bsk h GLN 61 N 1.05 -0.13 0.68 4.72 4.20 -0.99 0.21 115.11 124.84 2bsk h GLN 61 Ca 0.30 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 2bsk h GLN 61 Cb -0.09 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2bsk h GLN 61 CO -0.08 -0.09 -0.39 -0.09 -0.67 0.00 0.00 178.83 177.52 2bsk h ARG 62 N -0.14 -0.96 -0.49 1.46 2.43 -1.02 -1.41 114.38 114.25 2bsk h ARG 62 Ca 0.06 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.39 2bsk h ARG 62 Cb 0.22 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 29.88 2bsk h ARG 62 CO -0.14 -0.64 -0.28 0.82 -1.51 0.00 0.00 179.97 178.22 2bsk h ILE 63 N -1.00 0.27 -0.70 1.20 2.04 -0.96 -0.51 117.51 117.85 2bsk h ILE 63 Ca -0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2bsk h ILE 63 Cb 0.80 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 2bsk h ILE 63 CO 0.11 0.00 -0.52 -1.28 0.00 0.00 0.00 178.15 176.45 2bsk h SER 64 N -0.16 -1.86 0.00 1.72 0.87 -0.23 -1.22 113.55 112.67 2bsk h SER 64 Ca 0.22 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2bsk h SER 64 Cb 0.51 0.80 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2bsk h SER 64 CO -0.59 -0.27 0.00 0.80 -0.53 0.00 0.00 176.83 176.24 2bsk n MET 65 N -5.07 0.00 -0.54 2.24 0.00 -0.24 0.42 117.12 113.93 2bsk n MET 65 Ca -0.00 0.54 0.43 0.00 0.00 0.00 0.00 57.70 58.67 2bsk n MET 65 Cb 0.26 -1.09 0.66 0.00 0.00 0.00 0.00 33.22 33.05 2bsk n MET 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2bsk n ARG 66 N -1.31 0.00 -0.07 2.12 5.12 -0.99 0.27 116.66 121.80 2bsk n ARG 66 Ca 0.00 0.95 -0.12 0.00 -1.93 0.00 0.00 57.85 56.75 2bsk n ARG 66 Cb 0.00 -2.22 -0.05 0.00 -1.16 0.00 0.00 32.46 29.02 2bsk n ARG 66 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2bsk h PHE 67 N 0.00 0.46 0.89 -1.55 3.57 0.12 -2.40 116.94 118.03 2bsk h PHE 67 Ca 0.76 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 62.11 2bsk h PHE 67 Cb 3.21 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 41.85 2bsk h PHE 67 CO 0.00 0.67 -0.43 1.96 -2.23 0.00 0.00 178.31 178.29 2bsk h GLN 68 N 0.12 -1.15 0.00 1.11 4.20 0.47 -1.13 115.11 118.72 2bsk h GLN 68 Ca 0.05 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2bsk h GLN 68 Cb 0.54 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2bsk h GLN 68 CO 0.02 -0.77 0.26 0.39 -0.67 0.00 0.00 178.83 178.06 2bsk n GLU 69 N -5.48 0.00 -0.10 1.46 1.02 -0.64 0.33 120.64 117.23 2bsk n GLU 69 Ca -0.15 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.86 2bsk n GLU 69 Cb 0.47 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 2bsk n GLU 69 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2bsk n TYR 70 N -0.85 0.22 0.14 -0.32 9.36 -0.45 -3.91 117.16 121.34 2bsk n TYR 70 Ca 0.00 0.05 -0.24 0.00 3.32 0.00 0.00 57.90 61.04 2bsk n TYR 70 Cb 0.26 -1.03 -0.15 0.00 -0.63 0.00 0.00 39.34 37.79 2bsk n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2bsk h HIS 71 N 0.01 0.95 0.00 2.98 3.86 0.58 -1.45 115.15 122.08 2bsk h HIS 71 Ca -0.54 -0.68 0.00 0.00 -1.16 0.00 0.00 60.37 58.00 2bsk h HIS 71 Cb 2.01 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.44 2bsk h HIS 71 CO 0.03 1.52 0.00 0.44 0.86 0.00 0.00 177.93 180.78 2bsk n ILE 72 N -3.71 0.00 0.14 2.45 -5.35 -0.69 0.83 119.36 113.03 2bsk n ILE 72 Ca -0.16 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.35 2bsk n ILE 72 Cb 1.08 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 38.58 2bsk n ILE 72 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bsk n GLN 73 N -0.81 3.29 0.00 6.28 6.02 -1.18 -3.94 117.38 127.03 2bsk n GLN 73 Ca 0.14 -0.02 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 2bsk n GLN 73 Cb 0.06 -0.89 0.05 0.00 1.02 0.00 0.00 30.24 30.48 2bsk n GLN 73 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2bsk n GLN 74 N -1.34 1.34 -0.11 -1.09 7.27 -0.43 -3.91 117.38 119.12 2bsk n GLN 74 Ca 0.00 -1.26 -0.21 0.00 0.07 0.00 0.00 57.00 55.60 2bsk n GLN 74 Cb 0.10 -1.29 -0.12 0.00 2.41 0.00 0.00 30.24 31.35 2bsk n GLN 74 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2bsk n ASN 75 N 0.61 1.99 0.27 1.69 4.05 0.24 -4.26 115.26 119.87 2bsk n ASN 75 Ca 0.08 0.06 0.16 0.00 0.45 0.00 0.00 54.58 55.33 2bsk n ASN 75 Cb 0.37 -0.61 0.74 0.00 1.23 0.00 0.00 39.78 41.51 2bsk n ASN 75 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2bsk h GLU 76 N -0.26 0.00 0.00 1.20 5.08 -1.74 -2.25 114.58 116.61 2bsk h GLU 76 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2bsk h GLU 76 Cb 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 2bsk h GLU 76 CO -0.14 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 2bsk n ALA 77 N -2.15 2.36 0.00 3.43 0.00 -1.25 -2.64 120.51 120.26 2bsk n ALA 77 Ca -0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 2bsk n ALA 77 Cb 0.28 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 2bsk n ALA 77 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2bsk h LEU 78 N 0.00 0.29 -0.53 0.00 -0.00 -1.59 -3.33 115.31 110.14 2bsk h LEU 78 Ca 0.00 -0.61 0.04 0.00 -0.00 0.00 0.00 57.88 57.31 2bsk h LEU 78 Cb 0.44 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.97 2bsk h LEU 78 CO 0.00 1.55 0.28 0.00 -0.00 0.00 0.00 178.44 180.27 2bsk h ALA 79 N 0.41 0.68 -0.24 0.17 0.00 -1.47 -1.19 119.26 117.62 2bsk h ALA 79 Ca -0.36 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2bsk h ALA 79 Cb 2.03 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 2bsk h ALA 79 CO 0.09 -0.05 -0.22 0.00 0.00 0.00 0.00 179.25 179.07 2bsk h ALA 80 N 1.27 -0.10 -0.30 0.00 0.00 -1.65 0.57 119.26 119.06 2bsk h ALA 80 Ca 0.23 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2bsk h ALA 80 Cb 0.11 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 2bsk h ALA 80 CO -0.14 -0.65 -0.28 -0.22 0.00 0.00 0.00 179.25 177.95 2bsk h LYS 81 N -0.23 -0.26 0.00 0.00 3.64 -1.49 -0.26 116.57 117.98 2bsk h LYS 81 Ca 0.14 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2bsk h LYS 81 Cb 0.44 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2bsk h LYS 81 CO -0.37 -0.17 0.00 0.00 -2.27 0.00 0.00 179.45 176.64 2bsk n ALA 82 N -2.89 1.06 0.00 5.00 0.00 0.17 -2.08 120.51 121.77 2bsk n ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bsk n ALA 82 Cb 0.32 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2bsk n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bsk n GLY 83 N 0.30 0.00 0.34 0.00 0.00 -0.12 -4.78 105.19 100.92 2bsk n GLY 83 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2bsk n GLY 83 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2bsk h LEU 84 N 0.00 0.00 -0.44 0.99 -0.00 -1.27 -3.52 115.31 111.07 2bsk h LEU 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2bsk h LEU 84 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2bsk h LEU 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44