#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlz s VAL 2 N 0.00 0.05 -0.30 3.17 1.01 -1.26 -5.16 120.40 117.91 2rlz s VAL 2 Ca 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 2rlz s VAL 2 Cb 0.00 -1.63 0.20 0.00 0.00 0.00 0.00 36.38 34.95 2rlz s VAL 2 CO 0.00 -0.25 1.32 0.00 0.00 0.00 0.00 175.10 176.18 2rlz s GLN 3 N -3.90 0.00 -0.05 2.72 -2.07 -1.26 -5.16 119.66 109.93 2rlz s GLN 3 Ca 0.12 0.01 -0.02 0.00 -1.82 0.00 0.00 55.36 53.64 2rlz s GLN 3 Cb 0.01 0.01 0.04 0.00 -1.09 0.00 0.00 33.01 31.98 2rlz s GLN 3 CO -0.03 -0.00 0.11 -0.65 -1.32 0.00 0.00 175.29 173.40 2rlz s GLN 4 N 2.04 0.04 0.59 9.60 -1.52 -1.26 -5.15 119.66 124.01 2rlz s GLN 4 Ca 0.00 0.35 -0.15 0.00 -1.95 0.00 0.00 55.36 53.61 2rlz s GLN 4 Cb -0.00 -0.23 -0.04 0.00 -0.22 0.00 0.00 33.01 32.52 2rlz s GLN 4 CO -0.16 -0.19 1.04 0.21 -0.25 0.00 0.00 175.29 175.95 2rlz s LYS 5 N 1.33 3.39 0.33 2.91 2.20 -1.26 -5.07 119.74 123.57 2rlz s LYS 5 Ca -0.07 1.11 -0.06 0.00 -0.36 0.00 0.00 55.97 56.59 2rlz s LYS 5 Cb -0.12 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 2rlz s LYS 5 CO -0.05 -0.74 0.51 0.14 -0.36 0.00 0.00 175.35 174.85 2rlz s VAL 6 N -2.58 0.00 -0.03 4.02 -7.23 -1.26 -5.17 120.40 108.15 2rlz s VAL 6 Ca 0.62 -1.49 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 2rlz s VAL 6 Cb -0.14 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 2rlz s VAL 6 CO 0.39 0.00 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.27 2rlz s GLU 7 N -3.13 1.93 0.12 4.82 2.12 -1.26 -5.11 118.70 118.18 2rlz s GLU 7 Ca 0.27 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2rlz s GLU 7 Cb -0.01 -1.76 -0.07 0.00 0.26 0.00 0.00 34.13 32.56 2rlz s GLU 7 CO 0.17 0.39 1.15 0.08 -0.54 0.00 0.00 175.26 176.52 2rlz s VAL 8 N -0.30 3.94 0.00 3.70 1.01 -1.26 -4.87 120.40 122.63 2rlz s VAL 8 Ca 0.03 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2rlz s VAL 8 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2rlz s VAL 8 CO 0.01 0.19 0.25 0.54 0.00 0.00 0.00 175.10 176.09 2rlz n ARG 9 N 3.16 0.00 -0.25 2.72 1.74 -1.26 -5.12 116.66 117.66 2rlz n ARG 9 Ca 0.06 -0.25 -0.08 0.00 -0.77 0.00 0.00 57.85 56.81 2rlz n ARG 9 Cb 0.46 -0.36 0.08 0.00 -1.02 0.00 0.00 32.46 31.62 2rlz n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rlz n LEU 10 N 0.00 0.00 -4.88 0.55 4.77 -1.26 -4.97 117.00 111.21 2rlz n LEU 10 Ca 0.00 -0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.45 2rlz n LEU 10 Cb 0.42 -0.39 0.21 0.00 -2.33 0.00 0.00 43.42 41.34 2rlz n LEU 10 CO 0.00 -1.86 0.85 -0.54 -1.33 0.00 0.00 177.39 174.51 2rlz s LYS 11 N -2.57 0.06 0.22 3.23 1.02 -1.26 -5.11 119.74 115.33 2rlz s LYS 11 Ca 0.18 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 2rlz s LYS 11 Cb -0.03 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.48 2rlz s LYS 11 CO 0.15 -2.80 0.32 0.95 -0.92 0.00 0.00 175.35 173.04 2rlz s THR 12 N -3.79 0.01 0.00 2.17 -4.23 -1.26 -5.17 115.64 103.36 2rlz s THR 12 Ca 0.76 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2rlz s THR 12 Cb -0.03 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2rlz s THR 12 CO 0.54 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2rlz n GLY 13 N -0.32 -0.14 3.71 3.99 0.00 -1.26 -4.69 105.19 106.48 2rlz n GLY 13 Ca -0.01 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2rlz n GLY 13 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rlz s LEU 14 N 0.00 4.38 0.00 0.99 2.34 -1.26 -5.04 118.68 120.09 2rlz s LEU 14 Ca 0.00 1.66 0.00 0.00 0.06 0.00 0.00 54.13 55.85 2rlz s LEU 14 Cb 0.00 -3.56 0.00 0.00 -0.56 0.00 0.00 46.19 42.07 2rlz s LEU 14 CO 0.00 -0.24 0.00 0.00 -1.06 0.00 0.00 176.35 175.05 2rlz n GLN 15 N 3.79 0.38 0.08 1.48 6.02 -1.26 -4.91 117.38 122.97 2rlz n GLN 15 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.16 2rlz n GLN 15 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 2rlz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlz n ALA 16 N -2.53 2.59 0.02 -1.58 0.00 -1.26 -4.28 120.51 113.47 2rlz n ALA 16 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 2rlz n ALA 16 Cb 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 2rlz n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlz h ARG 17 N 0.00 0.48 -0.44 0.00 3.08 -2.00 -3.04 114.38 112.46 2rlz h ARG 17 Ca 0.00 -0.53 0.04 0.00 0.07 0.00 0.00 59.98 59.57 2rlz h ARG 17 Cb 1.00 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 2rlz h ARG 17 CO 0.00 1.17 0.20 -1.35 -1.07 0.00 0.00 179.97 178.92 2rlz h PRO 18 N 0.00 0.39 -0.11 0.04 0.11 -1.93 -1.38 132.00 129.13 2rlz h PRO 18 Ca -0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2rlz h PRO 18 Cb 1.43 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 2rlz h PRO 18 CO 0.14 0.26 0.04 0.00 -0.21 0.00 0.00 178.00 178.23 2rlz h ALA 19 N 1.25 0.14 -0.83 -0.75 0.00 -1.74 -2.22 119.26 115.11 2rlz h ALA 19 Ca 0.20 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2rlz h ALA 19 Cb 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 2rlz h ALA 19 CO -0.16 -0.26 0.47 0.00 0.00 0.00 0.00 179.25 179.30 2rlz h ALA 20 N 0.87 1.18 0.00 0.00 0.00 -1.38 0.75 119.26 120.68 2rlz h ALA 20 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2rlz h ALA 20 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2rlz h ALA 20 CO -0.00 0.09 -0.20 -0.07 0.00 0.00 0.00 179.25 179.07 2rlz h LEU 21 N 0.79 0.00 0.31 0.00 3.38 -1.04 -2.97 115.31 115.77 2rlz h LEU 21 Ca 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2rlz h LEU 21 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2rlz h LEU 21 CO -0.25 0.20 -0.52 0.15 0.09 0.00 0.00 178.44 178.11 2rlz h PHE 22 N 0.00 -1.47 -0.25 1.13 3.04 -0.21 -2.25 116.94 116.94 2rlz h PHE 22 Ca -0.00 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 2rlz h PHE 22 Cb 0.43 0.60 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 2rlz h PHE 22 CO 0.00 -0.63 -0.13 0.28 -2.02 0.00 0.00 178.31 175.80 2rlz h VAL 23 N -0.87 1.22 -0.77 1.41 2.07 -1.58 -2.84 116.25 114.88 2rlz h VAL 23 Ca -0.03 -0.97 0.13 0.00 0.82 0.00 0.00 66.70 66.65 2rlz h VAL 23 Cb 0.81 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 2rlz h VAL 23 CO -0.18 0.31 0.35 1.56 0.02 0.00 0.00 177.57 179.63 2rlz h GLN 24 N 0.38 0.51 -0.25 1.57 1.08 -1.27 2.97 115.11 120.10 2rlz h GLN 24 Ca 0.07 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.06 2rlz h GLN 24 Cb 0.47 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2rlz h GLN 24 CO 0.03 0.34 -0.57 0.93 -0.95 0.00 0.00 178.83 178.61 2rlz h GLU 25 N 0.52 0.77 0.00 1.46 4.39 -1.19 -2.98 114.58 117.55 2rlz h GLU 25 Ca 0.41 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2rlz h GLU 25 Cb 0.58 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2rlz h GLU 25 CO -0.37 1.12 -0.03 0.00 -1.16 0.00 0.00 179.01 178.58 2rlz h ALA 26 N 0.77 0.98 -0.49 3.43 0.00 -0.96 -3.22 119.26 119.77 2rlz h ALA 26 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2rlz h ALA 26 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2rlz h ALA 26 CO 0.12 0.00 0.43 -0.97 0.00 0.00 0.00 179.25 178.83 2rlz h ASN 27 N 0.00 0.00 -0.38 0.00 -1.24 0.55 1.05 115.58 115.55 2rlz h ASN 27 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2rlz h ASN 27 Cb 0.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2rlz h ASN 27 CO 0.00 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.68 2rlz n ARG 28 N -4.01 2.44 -0.08 6.67 1.74 -1.22 -4.89 116.66 117.32 2rlz n ARG 28 Ca 0.09 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 2rlz n ARG 28 Cb 0.63 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2rlz n ARG 28 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2rlz n PHE 29 N 0.58 -0.69 -1.06 -1.55 -1.74 0.36 -5.00 117.46 108.36 2rlz n PHE 29 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 2rlz n PHE 29 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 2rlz n PHE 29 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2rlz n THR 30 N -0.31 0.00 0.00 1.97 -1.04 -1.26 -5.03 114.28 108.61 2rlz n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2rlz n THR 30 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2rlz n THR 30 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2rlz n SER 31 N 0.00 0.00 -3.79 8.00 3.41 -1.26 -4.98 113.62 115.00 2rlz n SER 31 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2rlz n SER 31 Cb 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 2rlz n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2rlz s ASP 32 N -1.00 -0.25 -0.08 4.04 1.11 -1.26 -4.98 116.67 114.25 2rlz s ASP 32 Ca 0.00 0.49 -0.00 0.00 0.18 0.00 0.00 52.55 53.22 2rlz s ASP 32 Cb 0.00 0.49 -0.03 0.00 1.07 0.00 0.00 42.92 44.45 2rlz s ASP 32 CO 0.00 -0.09 -0.05 -0.69 1.18 0.00 0.00 175.17 175.52 2rlz s VAL 33 N 0.15 3.85 -0.11 -1.27 1.01 -1.26 -3.92 120.40 118.85 2rlz s VAL 33 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 2rlz s VAL 33 Cb -0.02 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.83 2rlz s VAL 33 CO 0.00 0.59 0.23 -0.36 0.00 0.00 0.00 175.10 175.57 2rlz s PHE 34 N -0.73 -0.35 -0.23 5.22 0.08 -1.16 -4.31 117.98 116.49 2rlz s PHE 34 Ca 0.11 0.85 -0.02 0.00 0.12 0.00 0.00 56.93 57.99 2rlz s PHE 34 Cb -0.11 -0.08 0.01 0.00 -0.57 0.00 0.00 43.02 42.27 2rlz s PHE 34 CO 0.02 -0.31 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.25 2rlz s LEU 35 N 2.19 2.92 0.00 -0.37 1.43 -1.25 -2.27 118.68 121.33 2rlz s LEU 35 Ca -0.00 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2rlz s LEU 35 Cb -0.12 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2rlz s LEU 35 CO -0.08 -0.06 -0.26 -0.70 0.23 0.00 0.00 176.35 175.48 2rlz s GLU 36 N 1.39 1.95 -0.28 1.70 2.12 -1.12 -3.23 118.70 121.23 2rlz s GLU 36 Ca 0.04 -0.98 -0.17 0.00 0.36 0.00 0.00 54.97 54.22 2rlz s GLU 36 Cb -0.15 -1.97 0.12 0.00 0.26 0.00 0.00 34.13 32.39 2rlz s GLU 36 CO -0.05 0.53 0.87 -1.59 -0.54 0.00 0.00 175.26 174.48 2rlz s LYS 37 N -0.82 0.52 -1.63 4.30 -2.85 -0.04 -0.68 119.74 118.54 2rlz s LYS 37 Ca 0.10 0.87 -0.16 0.00 -1.00 0.00 0.00 55.97 55.78 2rlz s LYS 37 Cb -0.10 0.12 0.13 0.00 -2.06 0.00 0.00 37.83 35.92 2rlz s LYS 37 CO 0.00 -0.11 0.86 -0.25 0.10 0.00 0.00 175.35 175.96 2rlz n ASP 38 N 3.82 -3.87 0.00 0.03 8.00 -1.26 0.69 116.55 123.95 2rlz n ASP 38 Ca -0.19 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2rlz n ASP 38 Cb 0.58 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 2rlz n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rlz n GLY 39 N -1.53 2.17 3.69 0.44 0.00 -1.26 -4.94 105.19 103.77 2rlz n GLY 39 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2rlz n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlz s LYS 40 N 0.00 4.34 -0.02 1.61 1.02 0.22 -5.02 119.74 121.88 2rlz s LYS 40 Ca 0.00 1.77 0.02 0.00 0.02 0.00 0.00 55.97 57.79 2rlz s LYS 40 Cb 0.00 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2rlz s LYS 40 CO 0.00 -0.47 -0.08 0.21 -0.92 0.00 0.00 175.35 174.09 2rlz s LYS 41 N 2.14 0.86 0.42 1.68 2.20 -1.26 -0.86 119.74 124.92 2rlz s LYS 41 Ca 0.59 -0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.99 2rlz s LYS 41 Cb -0.27 -0.82 0.01 0.00 -1.51 0.00 0.00 37.83 35.24 2rlz s LYS 41 CO 0.24 0.12 0.56 0.14 -0.36 0.00 0.00 175.35 176.05 2rlz s VAL 42 N 0.13 3.01 0.28 4.02 -7.23 -1.20 -4.99 120.40 114.42 2rlz s VAL 42 Ca -0.02 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2rlz s VAL 42 Cb -0.07 -3.01 0.41 0.00 0.56 0.00 0.00 36.38 34.26 2rlz s VAL 42 CO 0.00 -0.00 1.58 -1.13 -0.31 0.00 0.00 175.10 175.24 2rlz h ASN 43 N 0.66 -0.72 0.00 4.85 -1.24 -1.93 -3.43 115.58 113.78 2rlz h ASN 43 Ca -0.40 0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.88 2rlz h ASN 43 Cb 1.28 0.53 0.00 0.00 0.73 0.00 0.00 38.32 40.86 2rlz h ASN 43 CO 0.46 -0.31 0.00 0.00 -1.29 0.00 0.00 177.43 176.29 2rlz n ALA 44 N -3.37 0.00 -0.45 1.57 0.00 -1.26 -4.90 120.51 112.10 2rlz n ALA 44 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.61 2rlz n ALA 44 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 2rlz n ALA 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2rlz n LYS 45 N 0.00 1.85 -1.66 0.00 2.85 -1.26 -3.97 118.16 115.96 2rlz n LYS 45 Ca 0.00 -1.23 -0.50 0.00 -1.05 0.00 0.00 58.31 55.53 2rlz n LYS 45 Cb 0.00 -0.86 -0.05 0.00 -0.65 0.00 0.00 35.03 33.47 2rlz n LYS 45 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2rlz n SER 46 N -0.38 3.17 -0.34 -5.58 7.64 -1.26 -4.63 113.62 112.24 2rlz n SER 46 Ca 0.01 0.91 0.07 0.00 1.01 0.00 0.00 58.87 60.87 2rlz n SER 46 Cb 0.37 -1.33 0.24 0.00 -1.01 0.00 0.00 64.21 62.48 2rlz n SER 46 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2rlz h ILE 47 N 5.65 0.85 0.00 0.44 2.10 -1.97 0.14 117.51 124.72 2rlz h ILE 47 Ca -0.46 -0.30 -0.10 0.00 1.08 0.00 0.00 64.86 65.08 2rlz h ILE 47 Cb 1.28 -0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 2rlz h ILE 47 CO 0.96 0.16 -0.47 0.00 -1.08 0.00 0.00 178.15 177.72 2rlz h MET 48 N 0.87 0.00 -1.00 2.19 -0.00 -1.98 -3.11 114.93 111.89 2rlz h MET 48 Ca 0.49 0.00 0.18 0.00 -0.00 0.00 0.00 59.70 60.37 2rlz h MET 48 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.06 2rlz h MET 48 CO -0.30 0.47 0.62 0.78 -0.00 0.00 0.00 176.91 178.48 2rlz h GLY 49 N 2.00 1.75 1.49 -3.00 0.00 -1.07 -0.43 103.07 103.81 2rlz h GLY 49 Ca -0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.70 2rlz h GLY 49 CO 0.06 -0.02 -1.07 1.41 0.00 0.00 0.00 176.54 176.92 2rlz h LEU 50 N 0.81 0.59 -1.85 3.11 4.07 -1.51 -3.12 115.31 117.41 2rlz h LEU 50 Ca 0.56 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2rlz h LEU 50 Cb 0.82 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2rlz h LEU 50 CO -0.36 1.34 0.17 -0.03 -1.08 0.00 0.00 178.44 178.49 2rlz h MET 51 N 0.21 0.00 0.44 1.13 4.05 -1.08 -2.00 114.93 117.68 2rlz h MET 51 Ca -0.12 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 2rlz h MET 51 Cb 1.74 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.54 2rlz h MET 51 CO 0.19 0.00 -0.21 0.77 0.23 0.00 0.00 176.91 177.89 2rlz h SER 52 N 0.00 -0.51 -3.52 1.39 0.02 -1.40 -3.45 113.55 106.09 2rlz h SER 52 Ca 0.00 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 2rlz h SER 52 Cb 0.34 0.13 -0.28 0.00 0.14 0.00 0.00 62.40 62.73 2rlz h SER 52 CO 0.00 -0.26 -0.47 -0.22 -1.14 0.00 0.00 176.83 174.73 2rlz s LEU 53 N -9.87 0.68 0.00 5.07 2.96 -0.75 -5.16 118.68 111.60 2rlz s LEU 53 Ca -0.16 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2rlz s LEU 53 Cb 0.03 0.75 0.00 0.00 0.50 0.00 0.00 46.19 47.47 2rlz s LEU 53 CO 0.59 -0.13 0.00 0.00 -1.32 0.00 0.00 176.35 175.49 2rlz n ALA 54 N 3.76 0.00 -3.02 5.97 0.00 -1.26 -4.85 120.51 121.12 2rlz n ALA 54 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2rlz n ALA 54 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2rlz n ALA 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2rlz n VAL 55 N 0.00 0.00 -3.84 0.00 0.24 -1.26 -5.09 118.33 108.38 2rlz n VAL 55 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2rlz n VAL 55 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 2rlz n VAL 55 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2rlz s SER 56 N 0.69 0.04 0.10 -1.34 1.04 -1.26 -4.71 113.70 108.26 2rlz s SER 56 Ca 0.00 -0.42 -0.34 0.00 0.48 0.00 0.00 55.95 55.67 2rlz s SER 56 Cb 0.00 0.30 -0.14 0.00 0.10 0.00 0.00 66.02 66.29 2rlz s SER 56 CO 0.00 -0.60 1.62 1.07 0.98 0.00 0.00 173.24 176.31 2rlz n THR 57 N 0.51 0.12 0.00 2.02 5.66 -1.26 -0.92 114.28 120.41 2rlz n THR 57 Ca -0.18 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2rlz n THR 57 Cb 0.60 -1.53 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 2rlz n THR 57 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rlz n GLY 58 N 3.55 2.93 3.75 1.09 0.00 -1.26 -5.06 105.19 110.19 2rlz n GLY 58 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2rlz n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rlz s THR 59 N -2.71 2.57 0.27 2.61 2.01 -0.10 -5.04 115.64 115.25 2rlz s THR 59 Ca 0.00 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.42 2rlz s THR 59 Cb 0.00 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 2rlz s THR 59 CO 0.00 -0.07 -0.06 -1.83 -0.69 0.00 0.00 174.62 171.96 2rlz s GLU 60 N -3.31 1.52 0.01 4.92 -1.05 -1.26 -4.96 118.70 114.57 2rlz s GLU 60 Ca 0.78 -1.76 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 2rlz s GLU 60 Cb -0.31 -1.12 -0.01 0.00 -0.44 0.00 0.00 34.13 32.25 2rlz s GLU 60 CO 0.34 0.04 -0.04 0.54 0.95 0.00 0.00 175.26 177.09 2rlz s VAL 61 N -3.03 0.27 -0.55 1.83 0.11 -1.26 -4.65 120.40 113.12 2rlz s VAL 61 Ca 0.29 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.71 2rlz s VAL 61 Cb 0.03 -0.29 0.12 0.00 -1.53 0.00 0.00 36.38 34.72 2rlz s VAL 61 CO 0.11 -0.13 0.54 -0.89 -3.33 0.00 0.00 175.10 171.41 2rlz s THR 62 N -0.58 5.13 -0.15 5.04 2.01 0.15 -4.90 115.64 122.32 2rlz s THR 62 Ca -0.04 -1.38 -0.21 0.00 0.31 0.00 0.00 61.69 60.37 2rlz s THR 62 Cb -0.04 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 2rlz s THR 62 CO -0.00 -0.92 0.63 -0.22 -0.69 0.00 0.00 174.62 173.42 2rlz s LEU 63 N 1.84 4.20 -0.06 4.42 2.96 -1.25 -2.79 118.68 127.99 2rlz s LEU 63 Ca 0.05 0.92 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 2rlz s LEU 63 Cb -0.29 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.49 2rlz s LEU 63 CO 0.04 -0.20 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.06 2rlz s ILE 64 N 1.48 1.54 -0.13 6.68 1.01 -0.96 -4.97 121.20 125.84 2rlz s ILE 64 Ca 0.31 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2rlz s ILE 64 Cb -0.16 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.02 2rlz s ILE 64 CO 0.12 0.44 0.03 0.00 0.00 0.00 0.00 174.94 175.54 2rlz s ALA 65 N 0.22 0.75 -0.40 9.38 0.00 -1.25 -3.01 121.76 127.45 2rlz s ALA 65 Ca -0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 2rlz s ALA 65 Cb -0.14 -0.95 0.09 0.00 0.00 0.00 0.00 23.12 22.11 2rlz s ALA 65 CO 0.04 -0.86 0.21 1.14 0.00 0.00 0.00 175.76 176.29 2rlz s GLN 66 N 1.96 2.37 0.00 0.00 -2.07 -1.25 -4.90 119.66 115.77 2rlz s GLN 66 Ca 0.02 -1.57 0.00 0.00 -1.82 0.00 0.00 55.36 51.99 2rlz s GLN 66 Cb -0.15 -3.63 0.00 0.00 -1.09 0.00 0.00 33.01 28.14 2rlz s GLN 66 CO -0.07 -0.96 0.00 0.41 -1.32 0.00 0.00 175.29 173.36 2rlz n GLY 67 N 4.76 -0.52 0.11 2.60 0.00 -1.26 -4.20 105.19 106.68 2rlz n GLY 67 Ca -0.08 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 2rlz n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rlz n GLU 68 N 0.00 0.74 0.00 1.61 1.02 -1.26 -4.26 120.64 118.49 2rlz n GLU 68 Ca 0.00 0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.31 2rlz n GLU 68 Cb 0.00 -1.47 0.52 0.00 -0.02 0.00 0.00 31.44 30.47 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2rlz n ASP 69 N -3.00 0.00 0.00 1.62 8.00 -1.26 -3.52 116.55 118.38 2rlz n ASP 69 Ca -0.37 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2rlz n ASP 69 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 2rlz n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2rlz n GLU 70 N -0.89 0.00 -0.08 -1.24 -0.00 -1.26 -2.86 120.64 114.30 2rlz n GLU 70 Ca 0.13 0.03 -0.07 0.00 -0.00 0.00 0.00 57.16 57.25 2rlz n GLU 70 Cb 0.06 -1.50 -0.01 0.00 -0.00 0.00 0.00 31.44 29.99 2rlz n GLU 70 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2rlz h GLN 71 N 0.00 -0.18 -0.30 3.44 4.15 -1.91 0.26 115.11 120.56 2rlz h GLN 71 Ca 0.00 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.52 2rlz h GLN 71 Cb 0.00 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2rlz h GLN 71 CO 0.00 -0.12 0.32 0.93 -1.93 0.00 0.00 178.83 178.03 2rlz h GLU 72 N -0.19 0.00 0.34 1.69 5.08 -1.88 1.16 114.58 120.78 2rlz h GLU 72 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2rlz h GLU 72 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2rlz h GLU 72 CO -0.43 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.42 2rlz h ALA 73 N 1.64 -0.46 0.08 3.43 0.00 -0.72 0.25 119.26 123.48 2rlz h ALA 73 Ca 0.14 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 2rlz h ALA 73 Cb 0.78 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2rlz h ALA 73 CO -0.00 -0.58 -1.35 -0.07 0.00 0.00 0.00 179.25 177.25 2rlz h LEU 74 N -0.82 0.26 0.16 0.00 4.07 -1.17 -2.30 115.31 115.51 2rlz h LEU 74 Ca -0.05 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 2rlz h LEU 74 Cb 0.52 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2rlz h LEU 74 CO 0.08 1.27 -0.08 -0.08 -1.08 0.00 0.00 178.44 178.55 2rlz h GLU 75 N 0.05 -0.21 0.00 1.13 4.57 0.13 -3.33 114.58 116.91 2rlz h GLU 75 Ca -0.16 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2rlz h GLU 75 Cb 1.95 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.58 2rlz h GLU 75 CO 0.16 -0.14 -0.15 -0.22 -1.18 0.00 0.00 179.01 177.48 2rlz h LYS 76 N -0.39 0.00 -0.99 1.92 1.63 -1.47 -3.35 116.57 113.92 2rlz h LYS 76 Ca -0.02 0.00 0.25 0.00 -0.85 0.00 0.00 60.65 60.03 2rlz h LYS 76 Cb 0.17 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.72 2rlz h LYS 76 CO 0.04 0.00 0.66 -0.07 -3.45 0.00 0.00 179.45 176.63 2rlz h LEU 77 N -0.65 0.33 -0.12 5.20 3.38 -1.01 -0.07 115.31 122.38 2rlz h LEU 77 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2rlz h LEU 77 Cb 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2rlz h LEU 77 CO 0.00 0.09 0.08 0.00 0.09 0.00 0.00 178.44 178.70 2rlz h ALA 78 N 1.59 0.15 -0.41 1.53 0.00 -1.52 0.11 119.26 120.70 2rlz h ALA 78 Ca 0.53 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 2rlz h ALA 78 Cb 1.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2rlz h ALA 78 CO -0.19 -0.37 -0.25 0.00 0.00 0.00 0.00 179.25 178.44 2rlz h ALA 79 N 1.05 0.79 -0.35 0.00 0.00 -1.22 -1.83 119.26 117.70 2rlz h ALA 79 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2rlz h ALA 79 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2rlz h ALA 79 CO -0.01 0.65 0.20 -0.92 0.00 0.00 0.00 179.25 179.17 2rlz h TYR 80 N 0.72 0.48 0.00 0.00 3.20 -0.78 -0.49 116.97 120.11 2rlz h TYR 80 Ca 0.09 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2rlz h TYR 80 Cb 0.79 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2rlz h TYR 80 CO 0.04 0.36 -0.32 0.28 -1.64 0.00 0.00 178.16 176.89 2rlz h VAL 81 N 0.45 1.02 -0.59 1.81 2.07 -0.71 -2.25 116.25 118.05 2rlz h VAL 81 Ca 0.12 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 2rlz h VAL 81 Cb 0.04 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2rlz h VAL 81 CO -0.02 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.97 2rlz n GLN 82 N -3.86 4.24 -1.60 1.57 6.02 -0.70 -5.04 117.38 118.01 2rlz n GLN 82 Ca -0.01 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 2rlz n GLN 82 Cb 0.39 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.46 2rlz n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2rlz n GLU 83 N 0.34 -4.07 -3.34 -1.09 1.02 -0.25 -4.97 120.64 108.28 2rlz n GLU 83 Ca 0.30 3.10 -0.17 0.00 -0.02 0.00 0.00 57.16 60.37 2rlz n GLU 83 Cb 1.19 -3.74 -0.07 0.00 -0.02 0.00 0.00 31.44 28.80 2rlz n GLU 83 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2rlz s GLU 84 N -4.48 0.68 0.00 3.49 2.12 -1.25 -4.73 118.70 114.54 2rlz s GLU 84 Ca 0.00 -0.94 0.27 0.00 0.36 0.00 0.00 54.97 54.66 2rlz s GLU 84 Cb 0.00 -0.72 0.83 0.00 0.26 0.00 0.00 34.13 34.50 2rlz s GLU 84 CO 0.00 -1.22 1.62 0.28 -0.54 0.00 0.00 175.26 175.40