#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpr s GLN 3 N 0.00 0.99 -0.12 0.00 -2.07 -1.26 -1.09 119.66 116.10 2hpr s GLN 3 Ca 0.00 -1.28 -0.10 0.00 -1.82 0.00 0.00 55.36 52.16 2hpr s GLN 3 Cb 0.00 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2hpr s GLN 3 CO 0.00 -0.31 0.32 0.21 -1.32 0.00 0.00 175.29 174.18 2hpr s LYS 4 N -3.99 0.35 -0.00 9.60 2.36 -0.05 -4.99 119.74 123.01 2hpr s LYS 4 Ca 0.19 0.48 -0.05 0.00 -2.55 0.00 0.00 55.97 54.03 2hpr s LYS 4 Cb 0.06 0.13 -0.04 0.00 -1.05 0.00 0.00 37.83 36.92 2hpr s LYS 4 CO -0.01 -0.07 0.23 0.99 1.55 0.00 0.00 175.35 178.04 2hpr s THR 5 N 0.39 5.37 0.26 3.43 2.01 -1.26 -0.64 115.64 125.20 2hpr s THR 5 Ca -0.02 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2hpr s THR 5 Cb -0.04 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2hpr s THR 5 CO -0.02 0.36 0.04 -0.36 -0.69 0.00 0.00 174.62 173.95 2hpr s PHE 6 N -1.30 1.63 -0.13 4.92 0.40 0.13 -4.97 117.98 118.66 2hpr s PHE 6 Ca 0.27 -1.00 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 2hpr s PHE 6 Cb -0.13 -0.97 -0.00 0.00 0.51 0.00 0.00 43.02 42.42 2hpr s PHE 6 CO 0.16 -0.12 -0.18 0.21 0.70 0.00 0.00 175.22 176.00 2hpr s LYS 7 N -3.92 3.21 -0.16 0.44 2.20 -1.26 -0.36 119.74 119.89 2hpr s LYS 7 Ca 0.32 -0.78 -0.26 0.00 -0.36 0.00 0.00 55.97 54.90 2hpr s LYS 7 Cb 0.07 -2.52 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 2hpr s LYS 7 CO 0.11 0.13 0.87 0.08 -0.36 0.00 0.00 175.35 176.18 2hpr s VAL 8 N 0.52 4.86 -0.14 4.02 1.01 -0.10 -1.06 120.40 129.51 2hpr s VAL 8 Ca -0.11 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.62 2hpr s VAL 8 Cb -0.16 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2hpr s VAL 8 CO 0.04 0.02 0.13 0.35 0.00 0.00 0.00 175.10 175.64 2hpr n THR 9 N 4.71 0.00 -2.05 3.92 -2.24 -0.22 0.83 114.28 119.23 2hpr n THR 9 Ca 0.05 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 2hpr n THR 9 Cb 0.49 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 2hpr n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hpr s ALA 10 N -1.40 3.61 0.18 6.98 0.00 -1.03 -4.88 121.76 125.23 2hpr s ALA 10 Ca 0.01 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 2hpr s ALA 10 Cb 0.02 -3.54 0.16 0.00 0.00 0.00 0.00 23.12 19.76 2hpr s ALA 10 CO 0.14 -0.70 1.78 -0.44 0.00 0.00 0.00 175.76 176.53 2hpr h ASP 11 N 5.26 0.33 -0.25 0.00 3.32 -1.94 -1.26 116.42 121.88 2hpr h ASP 11 Ca -0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2hpr h ASP 11 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2hpr h ASP 11 CO 0.79 0.23 0.00 -1.54 -1.72 0.00 0.00 179.24 176.99 2hpr n SER 12 N -4.91 1.45 -0.40 6.45 3.41 -1.26 -4.53 113.62 113.83 2hpr n SER 12 Ca 0.05 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2hpr n SER 12 Cb 0.16 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2hpr n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hpr n GLY 13 N 0.85 -0.54 3.40 5.00 0.00 -0.48 -4.25 105.19 109.17 2hpr n GLY 13 Ca 0.09 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 2hpr n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hpr s ILE 14 N 0.00 5.22 0.00 -0.61 1.01 -0.01 -4.90 121.20 121.90 2hpr s ILE 14 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.43 2hpr s ILE 14 Cb 0.00 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2hpr s ILE 14 CO 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 174.94 173.62 2hpr n HIS 15 N 5.11 -1.79 -0.19 3.97 1.44 -1.26 -4.55 115.22 117.95 2hpr n HIS 15 Ca 0.22 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.91 2hpr n HIS 15 Cb 0.47 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.66 2hpr n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2hpr h ALA 16 N -0.62 0.74 0.83 1.59 0.00 -1.95 -1.74 119.26 118.11 2hpr h ALA 16 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2hpr h ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hpr h ALA 16 CO 0.00 -0.15 -0.45 -0.09 0.00 0.00 0.00 179.25 178.56 2hpr h ARG 17 N 0.45 -1.14 -0.70 0.00 2.43 -1.98 -0.50 114.38 112.94 2hpr h ARG 17 Ca 0.28 0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 2hpr h ARG 17 Cb 0.28 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2hpr h ARG 17 CO -0.25 -0.76 0.47 -1.00 -1.51 0.00 0.00 179.97 176.92 2hpr h PRO 18 N -1.18 0.88 -0.37 0.20 0.13 -1.90 -1.48 132.00 128.27 2hpr h PRO 18 Ca -0.11 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2hpr h PRO 18 Cb 0.93 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2hpr h PRO 18 CO 0.16 0.58 0.10 0.00 -0.23 0.00 0.00 178.00 178.60 2hpr h ALA 19 N 1.58 1.48 -0.43 -0.56 0.00 -0.97 -1.70 119.26 118.66 2hpr h ALA 19 Ca 0.27 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2hpr h ALA 19 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2hpr h ALA 19 CO -0.07 0.38 -0.16 1.15 0.00 0.00 0.00 179.25 180.56 2hpr h THR 20 N 0.53 1.28 -0.32 0.00 2.02 -0.03 -0.93 112.91 115.45 2hpr h THR 20 Ca 0.12 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.05 2hpr h THR 20 Cb 0.19 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2hpr h THR 20 CO -0.00 0.44 0.07 0.58 0.37 0.00 0.00 175.52 176.98 2hpr h VAL 21 N 0.70 0.86 -0.79 3.16 2.07 -1.05 -0.83 116.25 120.37 2hpr h VAL 21 Ca 0.10 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2hpr h VAL 21 Cb 0.72 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2hpr h VAL 21 CO 0.05 0.04 0.31 -0.07 0.02 0.00 0.00 177.57 177.92 2hpr h LEU 22 N 0.19 1.09 -0.49 2.57 3.38 -1.07 -2.86 115.31 118.13 2hpr h LEU 22 Ca 0.15 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2hpr h LEU 22 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hpr h LEU 22 CO -0.19 0.97 -0.36 0.58 0.09 0.00 0.00 178.44 179.53 2hpr h VAL 23 N 1.15 1.28 -0.77 1.22 2.07 -0.94 -0.13 116.25 120.13 2hpr h VAL 23 Ca 0.26 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2hpr h VAL 23 Cb 0.22 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2hpr h VAL 23 CO -0.02 0.51 0.48 1.56 0.02 0.00 0.00 177.57 180.12 2hpr h GLN 24 N 0.70 1.02 -0.07 1.57 4.20 -1.13 -0.55 115.11 120.84 2hpr h GLN 24 Ca 0.06 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2hpr h GLN 24 Cb 0.93 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2hpr h GLN 24 CO 0.09 0.70 -0.15 1.15 -0.67 0.00 0.00 178.83 179.94 2hpr h THR 25 N 1.05 1.41 -0.78 -0.54 2.02 -1.20 -3.30 112.91 111.57 2hpr h THR 25 Ca 0.28 -1.47 0.06 0.00 0.77 0.00 0.00 66.41 66.05 2hpr h THR 25 Cb -0.07 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 2hpr h THR 25 CO -0.06 0.41 0.51 0.00 0.37 0.00 0.00 175.52 176.76 2hpr h ALA 26 N 0.48 1.65 0.00 6.16 0.00 -0.80 -1.88 119.26 124.87 2hpr h ALA 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hpr h ALA 26 Cb 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2hpr h ALA 26 CO 0.03 0.23 0.13 1.03 0.00 0.00 0.00 179.25 180.68 2hpr h SER 27 N 0.84 0.00 -0.01 0.00 0.87 -1.18 -1.89 113.55 112.18 2hpr h SER 27 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2hpr h SER 27 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2hpr h SER 27 CO -0.12 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.47 2hpr n LYS 28 N -2.80 1.56 -4.40 2.24 5.02 -0.71 -4.91 118.16 114.16 2hpr n LYS 28 Ca -0.02 -0.81 -0.26 0.00 -2.02 0.00 0.00 58.31 55.20 2hpr n LYS 28 Cb 0.18 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 2hpr n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2hpr s TYR 29 N -2.00 2.38 0.13 2.13 1.51 -0.71 -5.03 117.35 115.76 2hpr s TYR 29 Ca 0.40 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2hpr s TYR 29 Cb 0.21 -1.15 -0.14 0.00 -0.11 0.00 0.00 41.96 40.77 2hpr s TYR 29 CO 0.34 0.54 1.28 -0.44 -1.11 0.00 0.00 175.55 176.16 2hpr h ASP 30 N 2.97 0.25 -3.55 2.29 3.32 -1.91 -3.47 116.42 116.33 2hpr h ASP 30 Ca -0.45 -0.24 -0.54 0.00 0.02 0.00 0.00 57.03 55.82 2hpr h ASP 30 Cb 1.22 -0.08 0.20 0.00 0.22 0.00 0.00 39.33 40.89 2hpr h ASP 30 CO 0.51 1.11 -0.34 0.00 -1.72 0.00 0.00 179.24 178.81 2hpr n ALA 31 N -2.46 -1.84 -2.25 3.45 0.00 -1.26 -4.88 120.51 111.26 2hpr n ALA 31 Ca -0.04 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 2hpr n ALA 31 Cb 0.90 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 2hpr n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hpr s ASP 32 N -1.96 7.37 -0.12 0.00 1.01 0.71 -4.77 116.67 118.90 2hpr s ASP 32 Ca 0.62 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.80 2hpr s ASP 32 Cb -0.25 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.10 2hpr s ASP 32 CO 0.62 -0.17 -0.18 -0.69 0.21 0.00 0.00 175.17 174.96 2hpr s VAL 33 N 0.11 1.71 0.11 -1.27 1.01 -1.26 0.61 120.40 121.41 2hpr s VAL 33 Ca 0.49 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2hpr s VAL 33 Cb -0.26 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2hpr s VAL 33 CO 0.31 0.48 -0.20 0.20 0.00 0.00 0.00 175.10 175.89 2hpr s ASN 34 N 0.97 2.50 -0.14 3.32 0.02 0.06 0.11 114.94 121.78 2hpr s ASN 34 Ca -0.06 -0.70 0.02 0.00 -1.02 0.00 0.00 52.86 51.10 2hpr s ASN 34 Cb -0.15 -0.14 0.01 0.00 0.02 0.00 0.00 41.25 41.00 2hpr s ASN 34 CO -0.03 0.04 -0.20 -0.22 0.02 0.00 0.00 177.10 176.71 2hpr s LEU 35 N -1.97 2.02 -0.07 0.60 0.20 -0.39 -0.51 118.68 118.56 2hpr s LEU 35 Ca 0.07 -0.58 0.02 0.00 0.69 0.00 0.00 54.13 54.33 2hpr s LEU 35 Cb -0.10 -1.38 -0.03 0.00 -0.43 0.00 0.00 46.19 44.26 2hpr s LEU 35 CO 0.04 0.05 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.34 2hpr s GLU 36 N 0.98 2.69 -0.14 1.98 -6.30 0.38 -0.54 118.70 117.75 2hpr s GLU 36 Ca -0.04 -0.63 -0.06 0.00 -2.50 0.00 0.00 54.97 51.74 2hpr s GLU 36 Cb -0.15 -2.49 0.06 0.00 0.00 0.00 0.00 34.13 31.55 2hpr s GLU 36 CO -0.05 0.60 0.30 -0.47 0.02 0.00 0.00 175.26 175.66 2hpr s TYR 37 N -0.66 -0.47 -1.58 5.30 5.04 0.66 -1.08 117.35 124.56 2hpr s TYR 37 Ca 0.10 1.03 -0.15 0.00 -2.44 0.00 0.00 57.07 55.61 2hpr s TYR 37 Cb -0.11 0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.37 2hpr s TYR 37 CO 0.01 -0.34 0.94 -1.71 -1.34 0.00 0.00 175.55 173.11 2hpr n ASN 38 N 4.94 -4.44 0.00 4.32 5.15 -1.26 -0.97 115.26 123.00 2hpr n ASN 38 Ca -0.13 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 2hpr n ASN 38 Cb 0.51 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.18 2hpr n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hpr n GLY 39 N -1.61 1.34 3.61 8.20 0.00 -1.26 -5.03 105.19 110.44 2hpr n GLY 39 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2hpr n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpr s LYS 40 N -0.39 3.52 -0.12 1.61 3.01 -0.14 -5.11 119.74 122.12 2hpr s LYS 40 Ca 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 55.97 54.54 2hpr s LYS 40 Cb 0.00 -2.97 -0.02 0.00 -1.01 0.00 0.00 37.83 33.84 2hpr s LYS 40 CO 0.00 0.43 -0.13 0.99 0.51 0.00 0.00 175.35 177.15 2hpr s THR 41 N -0.12 3.05 0.14 2.17 2.01 -1.26 -0.24 115.64 121.39 2hpr s THR 41 Ca 0.05 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2hpr s THR 41 Cb -0.13 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2hpr s THR 41 CO 0.02 0.53 -0.05 0.68 -0.69 0.00 0.00 174.62 175.11 2hpr s VAL 42 N 0.28 0.80 0.01 3.82 -7.23 0.30 -4.97 120.40 113.40 2hpr s VAL 42 Ca -0.10 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 2hpr s VAL 42 Cb -0.16 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2hpr s VAL 42 CO 0.05 -0.69 1.32 0.21 -0.31 0.00 0.00 175.10 175.68 2hpr s ASN 43 N -3.12 6.94 0.00 4.85 2.47 -1.26 -1.26 114.94 123.55 2hpr s ASN 43 Ca 0.18 2.05 0.23 0.00 0.42 0.00 0.00 52.86 55.74 2hpr s ASN 43 Cb 0.05 -2.57 1.38 0.00 -1.45 0.00 0.00 41.25 38.67 2hpr s ASN 43 CO -0.00 -0.64 1.87 -0.11 -3.72 0.00 0.00 177.10 174.50 2hpr n LEU 44 N 4.91 0.00 -1.29 3.21 7.94 0.12 -2.72 117.00 129.16 2hpr n LEU 44 Ca 0.12 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.12 2hpr n LEU 44 Cb 0.45 0.00 0.30 0.00 0.53 0.00 0.00 43.42 44.70 2hpr n LEU 44 CO 0.57 0.00 0.76 0.29 -1.11 0.00 0.00 177.39 177.90 2hpr n LYS 45 N -0.87 2.80 -4.02 1.96 5.02 -1.26 -4.19 118.16 117.59 2hpr n LYS 45 Ca 0.17 -2.44 -0.30 0.00 -2.02 0.00 0.00 58.31 53.73 2hpr n LYS 45 Cb 0.08 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 2hpr n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2hpr s SER 46 N -0.96 2.64 0.07 4.39 0.15 -1.10 -5.00 113.70 113.89 2hpr s SER 46 Ca 0.45 -0.47 -0.18 0.00 0.70 0.00 0.00 55.95 56.45 2hpr s SER 46 Cb 0.25 -1.15 -0.11 0.00 -1.71 0.00 0.00 66.02 63.30 2hpr s SER 46 CO 0.28 -0.06 1.40 0.40 1.20 0.00 0.00 173.24 176.46 2hpr h ILE 47 N 6.06 1.32 -0.74 6.45 2.04 -1.90 -2.58 117.51 128.16 2hpr h ILE 47 Ca -0.38 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.14 2hpr h ILE 47 Cb 1.14 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 2hpr h ILE 47 CO 0.52 0.39 0.22 -0.03 0.00 0.00 0.00 178.15 179.25 2hpr h MET 48 N 0.17 1.16 -0.10 2.37 4.05 -1.95 -0.84 114.93 119.79 2hpr h MET 48 Ca 0.04 -0.26 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 2hpr h MET 48 Cb 0.68 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.27 2hpr h MET 48 CO 0.04 0.99 -0.20 0.78 0.23 0.00 0.00 176.91 178.75 2hpr h GLY 49 N 1.11 -0.20 1.17 1.39 0.00 -1.86 -0.90 103.07 103.79 2hpr h GLY 49 Ca 0.24 0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.70 2hpr h GLY 49 CO -0.01 -0.18 -0.12 -2.08 0.00 0.00 0.00 176.54 174.16 2hpr h VAL 50 N -0.27 1.27 -0.40 4.60 2.07 -1.04 -3.10 116.25 119.37 2hpr h VAL 50 Ca 0.09 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.26 2hpr h VAL 50 Cb 0.40 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2hpr h VAL 50 CO -0.26 0.44 -0.13 0.58 0.02 0.00 0.00 177.57 178.22 2hpr h VAL 51 N 0.87 1.26 -0.05 2.57 2.07 -1.03 -2.78 116.25 119.16 2hpr h VAL 51 Ca 0.13 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2hpr h VAL 51 Cb 0.67 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2hpr h VAL 51 CO 0.05 0.40 0.21 0.77 0.02 0.00 0.00 177.57 179.02 2hpr h SER 52 N 0.66 0.00 1.09 0.57 4.64 -1.08 -1.55 113.55 117.87 2hpr h SER 52 Ca 0.11 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2hpr h SER 52 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2hpr h SER 52 CO 0.04 0.00 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.54 2hpr h LEU 53 N 0.00 0.00 -1.36 5.97 3.38 -1.59 -3.47 115.31 118.23 2hpr h LEU 53 Ca 0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 2hpr h LEU 53 Cb 0.45 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.36 2hpr h LEU 53 CO -0.00 0.39 -0.74 0.61 0.09 0.00 0.00 178.44 178.79 2hpr n GLY 54 N 0.56 -0.43 3.68 0.83 0.00 -0.59 -4.90 105.19 104.35 2hpr n GLY 54 Ca 0.01 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2hpr n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hpr s ILE 55 N -3.35 3.35 0.45 -0.61 1.01 -1.26 -5.00 121.20 115.80 2hpr s ILE 55 Ca 0.21 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.64 2hpr s ILE 55 Cb -0.09 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2hpr s ILE 55 CO 0.73 -0.01 0.02 0.00 0.00 0.00 0.00 174.94 175.68 2hpr s ALA 56 N 2.75 3.56 0.23 9.38 0.00 -1.26 -0.83 121.76 135.58 2hpr s ALA 56 Ca 0.70 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 2hpr s ALA 56 Cb -0.36 0.08 -0.15 0.00 0.00 0.00 0.00 23.12 22.70 2hpr s ALA 56 CO 0.30 -0.09 1.08 1.17 0.00 0.00 0.00 175.76 178.22 2hpr n LYS 57 N -1.10 1.23 0.00 0.00 4.81 -1.25 -1.56 118.16 120.28 2hpr n LYS 57 Ca -0.10 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2hpr n LYS 57 Cb 0.67 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2hpr n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hpr n GLY 58 N 1.68 3.04 3.73 3.14 0.00 0.24 -5.00 105.19 112.02 2hpr n GLY 58 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2hpr n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpr n ALA 59 N -1.14 1.31 -2.78 4.61 0.00 -0.60 -4.72 120.51 117.18 2hpr n ALA 59 Ca 0.00 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 2hpr n ALA 59 Cb 0.00 -2.33 -0.09 0.00 0.00 0.00 0.00 19.45 17.02 2hpr n ALA 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2hpr s GLU 60 N -3.16 3.41 0.06 0.00 2.12 -1.26 -0.92 118.70 118.95 2hpr s GLU 60 Ca 0.78 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.77 2hpr s GLU 60 Cb -0.40 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 2hpr s GLU 60 CO 0.44 0.53 -0.09 0.96 -0.54 0.00 0.00 175.26 176.56 2hpr s ILE 61 N -0.38 0.69 -0.04 -3.70 -4.36 0.51 -4.51 121.20 109.42 2hpr s ILE 61 Ca 0.08 -1.29 0.05 0.00 -0.26 0.00 0.00 60.65 59.23 2hpr s ILE 61 Cb -0.12 -0.91 -0.02 0.00 1.25 0.00 0.00 42.46 42.66 2hpr s ILE 61 CO 0.02 -0.44 -0.20 -0.89 0.24 0.00 0.00 174.94 173.67 2hpr s THR 62 N -1.78 2.55 -0.10 8.37 2.01 -0.24 0.18 115.64 126.63 2hpr s THR 62 Ca -0.04 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.08 2hpr s THR 62 Cb -0.07 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2hpr s THR 62 CO -0.00 0.58 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.69 2hpr s ILE 63 N -0.56 2.53 0.23 1.82 1.01 0.19 -0.47 121.20 125.94 2hpr s ILE 63 Ca 0.08 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 59.96 2hpr s ILE 63 Cb -0.11 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2hpr s ILE 63 CO 0.01 0.55 -0.18 -0.94 0.00 0.00 0.00 174.94 174.38 2hpr s SER 64 N 0.18 3.06 0.01 3.58 1.04 0.33 -0.88 113.70 121.02 2hpr s SER 64 Ca -0.11 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.37 2hpr s SER 64 Cb -0.16 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 2hpr s SER 64 CO 0.06 -0.04 -0.11 0.00 0.98 0.00 0.00 173.24 174.13 2hpr s ALA 65 N -2.54 0.88 -0.08 5.32 0.00 -0.25 -0.76 121.76 124.32 2hpr s ALA 65 Ca 0.24 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 2hpr s ALA 65 Cb -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.95 2hpr s ALA 65 CO 0.10 0.18 0.06 -1.12 0.00 0.00 0.00 175.76 174.98 2hpr s SER 66 N -0.62 1.50 0.00 0.00 0.01 0.20 -0.36 113.70 114.44 2hpr s SER 66 Ca 0.02 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2hpr s SER 66 Cb -0.05 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2hpr s SER 66 CO 0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2hpr n GLY 67 N 5.28 -0.39 0.16 3.44 0.00 -1.26 -0.21 105.19 112.20 2hpr n GLY 67 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2hpr n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpr h ALA 68 N 0.00 1.13 -0.19 4.61 0.00 -1.97 -2.83 119.26 120.00 2hpr h ALA 68 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2hpr h ALA 68 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2hpr h ALA 68 CO 0.00 0.65 -0.44 -0.40 0.00 0.00 0.00 179.25 179.06 2hpr n ASP 69 N -3.91 2.41 -0.04 0.00 5.75 -1.26 -4.79 116.55 114.71 2hpr n ASP 69 Ca -0.01 -3.86 0.00 0.00 -0.01 0.00 0.00 54.79 50.91 2hpr n ASP 69 Cb 0.54 -0.53 0.30 0.00 -1.03 0.00 0.00 41.12 40.40 2hpr n ASP 69 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2hpr h GLU 70 N 1.18 0.63 0.02 0.11 4.11 -1.83 0.44 114.58 119.25 2hpr h GLU 70 Ca 0.11 -0.10 -0.22 0.00 0.07 0.00 0.00 59.36 59.22 2hpr h GLU 70 Cb 1.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2hpr h GLU 70 CO 0.21 0.55 -1.04 -0.91 0.07 0.00 0.00 179.01 177.90 2hpr h ASN 71 N 0.62 0.08 0.62 3.06 4.21 -1.86 -1.35 115.58 120.96 2hpr h ASN 71 Ca 0.15 -0.08 -0.28 0.00 1.21 0.00 0.00 56.30 57.30 2hpr h ASN 71 Cb 0.19 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2hpr h ASN 71 CO -0.01 1.06 -1.29 -0.78 -1.29 0.00 0.00 177.43 175.13 2hpr h ASP 72 N 0.01 0.39 -0.72 5.81 3.58 -1.87 -2.66 116.42 120.96 2hpr h ASP 72 Ca -0.03 -0.43 0.12 0.00 0.42 0.00 0.00 57.03 57.10 2hpr h ASP 72 Cb 1.80 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 42.64 2hpr h ASP 72 CO 0.14 1.35 0.31 0.00 -2.88 0.00 0.00 179.24 178.16 2hpr h ALA 73 N 0.60 0.99 -0.57 -0.78 0.00 0.22 -0.82 119.26 118.91 2hpr h ALA 73 Ca -0.15 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2hpr h ALA 73 Cb 1.97 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2hpr h ALA 73 CO 0.19 -0.15 -0.04 -0.07 0.00 0.00 0.00 179.25 179.18 2hpr h LEU 74 N 0.49 1.01 -0.01 0.00 3.38 -1.06 -1.29 115.31 117.84 2hpr h LEU 74 Ca 0.38 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2hpr h LEU 74 Cb 0.50 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hpr h LEU 74 CO -0.34 1.09 0.00 0.78 0.09 0.00 0.00 178.44 180.06 2hpr h ASN 75 N 0.91 0.02 -0.45 -0.43 -0.26 -1.13 -0.66 115.58 113.58 2hpr h ASN 75 Ca 0.16 -0.25 0.09 0.00 -0.56 0.00 0.00 56.30 55.73 2hpr h ASN 75 Cb 0.60 -0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.77 2hpr h ASN 75 CO 0.04 0.27 -0.10 0.00 -1.06 0.00 0.00 177.43 176.57 2hpr h ALA 76 N 0.75 0.32 -0.53 -0.83 0.00 -0.91 0.38 119.26 118.44 2hpr h ALA 76 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2hpr h ALA 76 Cb 0.26 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2hpr h ALA 76 CO 0.00 -0.44 -0.04 -0.07 0.00 0.00 0.00 179.25 178.70 2hpr h LEU 77 N 0.01 0.92 0.10 0.00 3.38 -0.96 -0.62 115.31 118.14 2hpr h LEU 77 Ca 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2hpr h LEU 77 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2hpr h LEU 77 CO -0.46 1.00 -0.08 -0.08 0.09 0.00 0.00 178.44 178.91 2hpr h GLU 78 N 0.86 -0.19 -0.81 1.13 4.81 -0.76 -1.21 114.58 118.41 2hpr h GLU 78 Ca 0.15 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2hpr h GLU 78 Cb 0.56 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2hpr h GLU 78 CO 0.03 -0.13 0.53 0.93 -0.73 0.00 0.00 179.01 179.64 2hpr h GLU 79 N -0.20 1.03 -0.24 1.92 5.08 -0.54 -1.06 114.58 120.57 2hpr h GLU 79 Ca -0.00 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2hpr h GLU 79 Cb 0.18 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2hpr h GLU 79 CO -0.01 0.68 -0.11 1.15 -1.00 0.00 0.00 179.01 179.72 2hpr h THR 80 N 1.06 0.65 -0.48 1.13 2.02 -1.02 -2.44 112.91 113.82 2hpr h THR 80 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 2hpr h THR 80 Cb -0.07 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2hpr h THR 80 CO -0.09 0.00 0.27 -0.03 0.37 0.00 0.00 175.52 176.04 2hpr h MET 81 N -0.08 0.67 -1.27 6.66 -1.53 -1.12 -2.46 114.93 115.81 2hpr h MET 81 Ca 0.13 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 2hpr h MET 81 Cb 0.27 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 2hpr h MET 81 CO -0.29 0.52 0.00 1.63 0.14 0.00 0.00 176.91 178.91 2hpr n LYS 82 N -4.67 0.70 0.00 0.39 5.02 -0.41 -1.66 118.16 117.53 2hpr n LYS 82 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2hpr n LYS 82 Cb 0.08 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2hpr n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2hpr n GLU 84 N 0.62 0.00 -1.07 1.97 2.13 -0.93 -4.59 120.64 118.78 2hpr n GLU 84 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2hpr n GLU 84 Cb 0.34 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.04 2hpr n GLU 84 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hpr n GLY 85 N 0.00 0.53 0.16 8.31 0.00 -1.13 -4.92 105.19 108.14 2hpr n GLY 85 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 2hpr n GLY 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hpr h LEU 86 N 0.00 0.53 -7.40 0.99 6.46 -1.56 -3.18 115.31 111.15 2hpr h LEU 86 Ca -0.05 -0.57 0.23 0.00 -0.12 0.00 0.00 57.88 57.38 2hpr h LEU 86 Cb 0.35 -0.15 -0.11 0.00 -0.73 0.00 0.00 40.66 40.02 2hpr h LEU 86 CO 0.07 1.01 0.64 -0.83 -0.62 0.00 0.00 178.44 178.71 2hpr s GLY 87 N -3.72 -0.33 0.00 3.75 0.00 -1.09 -1.05 107.32 104.88 2hpr s GLY 87 Ca -0.13 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.10 2hpr s GLY 87 CO 0.80 0.11 0.00 1.18 0.00 0.00 0.00 173.10 175.19