#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 0.00 0.00 3.17 -7.23 -1.26 -5.17 120.40 109.92 2rlz s VAL 2 Ca 0.00 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2rlz s VAL 2 Cb 0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2rlz s VAL 2 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 2rlz n GLN 3 N -0.46 0.00 -3.86 4.82 10.64 -1.26 -5.17 117.38 122.10 2rlz n GLN 3 Ca 0.02 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.07 2rlz n GLN 3 Cb 0.63 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.88 2rlz n GLN 3 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2rlz s GLN 4 N 0.00 0.17 0.67 2.61 0.74 -1.26 -5.16 119.66 117.43 2rlz s GLN 4 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 55.36 55.30 2rlz s GLN 4 Cb 0.00 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.18 2rlz s GLN 4 CO 0.00 -0.03 1.05 0.21 -0.55 0.00 0.00 175.29 175.97 2rlz s LYS 5 N -0.25 3.13 0.36 1.67 2.20 -1.26 -5.08 119.74 120.52 2rlz s LYS 5 Ca -0.03 0.86 -0.04 0.00 -0.36 0.00 0.00 55.97 56.40 2rlz s LYS 5 Cb -0.02 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 2rlz s LYS 5 CO 0.00 -0.94 0.54 0.14 -0.36 0.00 0.00 175.35 174.74 2rlz s VAL 6 N -3.10 0.00 0.23 4.02 -7.23 -1.26 -5.18 120.40 107.88 2rlz s VAL 6 Ca 0.57 -1.49 0.10 0.00 -1.81 0.00 0.00 61.98 59.35 2rlz s VAL 6 Cb -0.13 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 2rlz s VAL 6 CO 0.55 0.00 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.55 2rlz s GLU 7 N -2.82 1.49 0.07 4.82 2.02 -1.26 -5.14 118.70 117.87 2rlz s GLU 7 Ca 0.28 -1.65 -0.07 0.00 0.02 0.00 0.00 54.97 53.54 2rlz s GLU 7 Cb -0.01 -1.46 -0.05 0.00 0.10 0.00 0.00 34.13 32.70 2rlz s GLU 7 CO 0.19 0.27 0.35 0.08 0.02 0.00 0.00 175.26 176.17 2rlz s VAL 8 N -2.62 5.19 0.00 2.63 1.01 -1.26 -4.94 120.40 120.40 2rlz s VAL 8 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2rlz s VAL 8 Cb -0.03 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2rlz s VAL 8 CO 0.11 0.25 0.00 -1.14 0.00 0.00 0.00 175.10 174.32 2rlz n ARG 9 N 0.77 0.00 -0.98 2.72 0.63 -1.26 -5.13 116.66 113.41 2rlz n ARG 9 Ca -0.08 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.48 2rlz n ARG 9 Cb 0.52 -0.12 0.04 0.00 0.45 0.00 0.00 32.46 33.36 2rlz n ARG 9 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2rlz n LEU 10 N 0.00 -3.88 -4.65 6.15 4.32 -1.26 -4.87 117.00 112.81 2rlz n LEU 10 Ca 0.00 0.06 -0.30 0.00 -0.02 0.00 0.00 56.01 55.75 2rlz n LEU 10 Cb 0.13 -0.63 0.17 0.00 -1.62 0.00 0.00 43.42 41.48 2rlz n LEU 10 CO 0.00 -3.71 0.64 -0.54 -1.22 0.00 0.00 177.39 172.55 2rlz s LYS 11 N -2.12 0.71 -0.11 3.23 1.02 -1.26 -5.06 119.74 116.15 2rlz s LYS 11 Ca 0.39 1.15 -0.08 0.00 0.02 0.00 0.00 55.97 57.46 2rlz s LYS 11 Cb -0.00 -1.72 0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2rlz s LYS 11 CO 0.72 -2.71 0.29 0.95 -0.92 0.00 0.00 175.35 173.67 2rlz s THR 12 N -2.70 -0.02 -1.15 2.17 -4.23 -1.26 -5.15 115.64 103.30 2rlz s THR 12 Ca 0.66 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2rlz s THR 12 Cb -0.22 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.20 2rlz s THR 12 CO 0.59 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 2rlz n GLY 13 N 3.64 -1.28 3.66 3.99 0.00 -1.26 -4.70 105.19 109.24 2rlz n GLY 13 Ca -0.19 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 4.15 0.00 0.99 2.34 -1.26 -5.05 118.68 119.85 2rlz s LEU 14 Ca 0.00 1.00 0.00 0.00 0.06 0.00 0.00 54.13 55.19 2rlz s LEU 14 Cb 0.00 -3.08 0.00 0.00 -0.56 0.00 0.00 46.19 42.55 2rlz s LEU 14 CO 0.00 -0.36 0.00 0.00 -1.06 0.00 0.00 176.35 174.93 2rlz n GLN 15 N 5.28 -0.12 0.03 1.48 6.02 -1.26 -4.87 117.38 123.94 2rlz n GLN 15 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.13 2rlz n GLN 15 Cb 0.49 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.89 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 -1.91 3.30 -0.05 -1.58 0.00 -1.26 -4.13 120.51 114.88 2rlz n ALA 16 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 2rlz n ALA 16 Cb 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 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 0.02 -0.67 0.00 2.47 -2.01 -3.20 114.38 110.98 2rlz h ARG 17 Ca 0.00 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2rlz h ARG 17 Cb 0.67 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.93 2rlz h ARG 17 CO 0.00 0.82 0.37 -1.35 0.56 0.00 0.00 179.97 180.37 2rlz h PRO 18 N -0.78 0.65 -0.25 0.04 0.11 -1.92 -1.24 132.00 128.61 2rlz h PRO 18 Ca -0.00 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.09 2rlz h PRO 18 Cb 0.83 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 2rlz h PRO 18 CO 0.01 0.43 0.17 0.00 -0.21 0.00 0.00 178.00 178.40 2rlz h ALA 19 N 1.36 1.93 -0.41 -0.75 0.00 -1.72 -0.89 119.26 118.78 2rlz h ALA 19 Ca 0.31 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2rlz h ALA 19 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2rlz h ALA 19 CO -0.19 0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.10 2rlz h ALA 20 N 1.85 1.25 0.00 0.00 0.00 -1.22 -2.54 119.26 118.61 2rlz h ALA 20 Ca 0.10 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2rlz h ALA 20 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rlz h ALA 20 CO -0.02 0.50 -0.80 -0.07 0.00 0.00 0.00 179.25 178.86 2rlz h LEU 21 N 0.62 0.00 -0.61 0.00 4.07 -1.09 -3.12 115.31 115.18 2rlz h LEU 21 Ca 0.13 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.20 2rlz h LEU 21 Cb 0.38 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.03 2rlz h LEU 21 CO 0.01 0.80 0.14 0.15 -1.08 0.00 0.00 178.44 178.47 2rlz h PHE 22 N 0.00 0.23 -0.01 1.13 3.04 -0.92 -1.01 116.94 119.40 2rlz h PHE 22 Ca -0.01 0.04 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 2rlz h PHE 22 Cb 1.47 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.97 2rlz h PHE 22 CO 0.00 -0.02 -0.84 0.28 -2.02 0.00 0.00 178.31 175.71 2rlz h VAL 23 N 0.28 1.46 -0.44 1.41 2.07 -1.61 -3.24 116.25 116.17 2rlz h VAL 23 Ca 0.32 -2.46 0.09 0.00 0.82 0.00 0.00 66.70 65.47 2rlz h VAL 23 Cb 0.48 2.36 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 2rlz h VAL 23 CO -0.40 0.72 -0.06 1.56 0.02 0.00 0.00 177.57 179.41 2rlz h GLN 24 N 0.15 0.04 -0.82 1.57 1.08 -1.14 0.80 115.11 116.80 2rlz h GLN 24 Ca -0.04 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2rlz h GLN 24 Cb 1.44 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.82 2rlz h GLN 24 CO 0.13 0.03 0.49 0.93 -0.95 0.00 0.00 178.83 179.46 2rlz h GLU 25 N 0.04 1.11 0.00 1.46 4.39 -1.48 -1.12 114.58 118.99 2rlz h GLU 25 Ca 0.21 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2rlz h GLU 25 Cb 0.32 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2rlz h GLU 25 CO -0.41 0.78 -0.23 0.00 -1.16 0.00 0.00 179.01 177.99 2rlz h ALA 26 N 1.41 0.94 -0.73 3.43 0.00 -1.08 -3.07 119.26 120.16 2rlz h ALA 26 Ca 0.29 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.21 2rlz h ALA 26 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2rlz h ALA 26 CO -0.06 0.28 0.67 -0.97 0.00 0.00 0.00 179.25 179.18 2rlz h ASN 27 N 0.00 0.00 -0.40 0.00 -1.24 0.19 1.74 115.58 115.87 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 0.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2rlz h ASN 27 CO 0.03 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.71 2rlz n ARG 28 N -3.81 3.54 -0.17 6.67 1.74 -1.16 -4.90 116.66 118.57 2rlz n ARG 28 Ca 0.15 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 2rlz n ARG 28 Cb 0.93 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.47 -0.74 -0.77 -1.55 -1.74 0.59 -4.90 117.46 108.82 2rlz n PHE 29 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2rlz n PHE 29 Cb 0.86 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.86 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 -0.29 0.00 0.00 1.97 -1.04 -1.26 -5.01 114.28 108.65 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 -3.64 8.00 3.41 -1.26 -4.96 113.62 115.18 2rlz n SER 31 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2rlz n SER 31 Cb 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.80 -0.11 4.04 1.01 -1.26 -4.97 116.67 113.57 2rlz s ASP 32 Ca 0.00 1.42 -0.03 0.00 0.71 0.00 0.00 52.55 54.64 2rlz s ASP 32 Cb 0.00 1.39 -0.03 0.00 1.01 0.00 0.00 42.92 45.29 2rlz s ASP 32 CO 0.00 -0.24 0.02 -0.69 0.21 0.00 0.00 175.17 174.47 2rlz s VAL 33 N 0.91 4.45 -0.11 -1.27 1.01 -1.26 -3.96 120.40 120.16 2rlz s VAL 33 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2rlz s VAL 33 Cb -0.05 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.48 2rlz s VAL 33 CO -0.08 0.57 0.23 -0.36 0.00 0.00 0.00 175.10 175.46 2rlz s PHE 34 N -0.55 -0.34 -0.25 5.22 0.08 -1.12 -4.08 117.98 116.95 2rlz s PHE 34 Ca 0.10 0.84 -0.05 0.00 0.12 0.00 0.00 56.93 57.93 2rlz s PHE 34 Cb -0.12 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.24 2rlz s PHE 34 CO 0.02 -0.31 0.02 -0.51 -0.10 0.00 0.00 175.22 174.34 2rlz s LEU 35 N 2.19 3.34 -0.14 -0.37 1.43 -1.25 -1.85 118.68 122.03 2rlz s LEU 35 Ca -0.00 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2rlz s LEU 35 Cb -0.12 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2rlz s LEU 35 CO -0.08 -0.08 -0.21 -0.70 0.23 0.00 0.00 176.35 175.51 2rlz s GLU 36 N 1.51 3.06 -0.14 1.70 2.12 -0.93 -3.41 118.70 122.60 2rlz s GLU 36 Ca 0.05 -0.84 -0.17 0.00 0.36 0.00 0.00 54.97 54.37 2rlz s GLU 36 Cb -0.16 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.82 2rlz s GLU 36 CO 0.00 0.01 0.45 -1.59 -0.54 0.00 0.00 175.26 173.59 2rlz s LYS 37 N 0.78 0.59 -1.51 4.30 -2.85 -0.44 -1.48 119.74 119.12 2rlz s LYS 37 Ca -0.08 0.48 -0.13 0.00 -1.00 0.00 0.00 55.97 55.25 2rlz s LYS 37 Cb -0.16 0.28 0.09 0.00 -2.06 0.00 0.00 37.83 35.98 2rlz s LYS 37 CO -0.01 -0.10 0.83 -0.25 0.10 0.00 0.00 175.35 175.93 2rlz n ASP 38 N 2.47 -4.49 0.00 0.03 9.92 -1.26 0.68 116.55 123.89 2rlz n ASP 38 Ca -0.15 -0.70 0.00 0.00 -0.53 0.00 0.00 54.79 53.41 2rlz n ASP 38 Cb 0.57 -3.62 0.00 0.00 -0.64 0.00 0.00 41.12 37.43 2rlz n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rlz n GLY 39 N -1.53 1.39 3.86 0.44 0.00 -1.26 -4.94 105.19 103.14 2rlz n GLY 39 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 3.81 -0.05 1.61 1.02 0.21 -5.09 119.74 121.26 2rlz s LYS 40 Ca 0.00 0.79 -0.12 0.00 0.02 0.00 0.00 55.97 56.66 2rlz s LYS 40 Cb 0.00 -2.18 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2rlz s LYS 40 CO 0.00 -0.30 0.28 0.21 -0.92 0.00 0.00 175.35 174.61 2rlz s LYS 41 N -4.35 0.51 0.27 1.68 2.20 -1.26 -1.33 119.74 117.45 2rlz s LYS 41 Ca 0.56 0.03 0.11 0.00 -0.36 0.00 0.00 55.97 56.30 2rlz s LYS 41 Cb -0.10 0.23 -0.05 0.00 -1.51 0.00 0.00 37.83 36.40 2rlz s LYS 41 CO 0.38 -0.11 -0.10 0.14 -0.36 0.00 0.00 175.35 175.29 2rlz s VAL 42 N -0.72 2.99 0.27 4.02 -7.23 -1.22 -5.01 120.40 113.50 2rlz s VAL 42 Ca -0.08 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.01 2rlz s VAL 42 Cb -0.04 -2.58 0.34 0.00 0.56 0.00 0.00 36.38 34.65 2rlz s VAL 42 CO 0.02 -0.37 1.30 0.59 -0.31 0.00 0.00 175.10 176.33 2rlz n ASN 43 N -0.72 -0.01 0.00 4.85 4.13 -1.26 -4.60 115.26 117.65 2rlz n ASN 43 Ca -0.06 1.40 0.00 0.00 1.68 0.00 0.00 54.58 57.60 2rlz n ASN 43 Cb 0.59 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 2rlz n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rlz n ALA 44 N -3.06 0.00 -0.47 5.41 0.00 -1.26 -4.90 120.51 116.23 2rlz n ALA 44 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2rlz n ALA 44 Cb 0.73 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.47 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 3.16 -1.66 0.00 2.85 -1.26 -4.25 118.16 117.01 2rlz n LYS 45 Ca 0.00 -2.60 -0.44 0.00 -1.05 0.00 0.00 58.31 54.22 2rlz n LYS 45 Cb 0.00 -1.63 -0.02 0.00 -0.65 0.00 0.00 35.03 32.73 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 0.94 2.40 0.17 -5.58 7.64 -1.26 -4.61 113.62 113.31 2rlz n SER 46 Ca 0.21 1.18 -0.14 0.00 1.01 0.00 0.00 58.87 61.13 2rlz n SER 46 Cb 0.69 -1.41 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 2rlz n SER 46 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2rlz h ILE 47 N 2.61 0.69 0.00 0.44 2.04 -1.95 -2.76 117.51 118.58 2rlz h ILE 47 Ca -0.44 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2rlz h ILE 47 Cb 1.29 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2rlz h ILE 47 CO 0.67 0.09 -0.03 0.24 0.00 0.00 0.00 178.15 179.13 2rlz h MET 48 N -0.71 0.00 -0.24 2.37 2.86 -1.97 -2.28 114.93 114.96 2rlz h MET 48 Ca -0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2rlz h MET 48 Cb 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2rlz h MET 48 CO 0.07 0.03 0.14 0.78 1.06 0.00 0.00 176.91 178.99 2rlz h GLY 49 N 1.02 0.35 0.11 8.32 0.00 -1.86 -1.11 103.07 109.90 2rlz h GLY 49 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2rlz h GLY 49 CO 0.00 0.15 -0.02 1.41 0.00 0.00 0.00 176.54 178.08 2rlz h LEU 50 N 0.29 -0.05 -1.51 3.11 3.38 -1.39 -3.23 115.31 115.91 2rlz h LEU 50 Ca 0.08 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2rlz h LEU 50 Cb 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2rlz h LEU 50 CO -0.02 0.69 0.57 -0.03 0.09 0.00 0.00 178.44 179.74 2rlz h MET 51 N -0.95 0.00 -0.08 1.13 4.05 -1.47 0.25 114.93 117.86 2rlz h MET 51 Ca -0.01 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2rlz h MET 51 Cb 0.59 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2rlz h MET 51 CO 0.01 0.00 -0.07 1.03 0.23 0.00 0.00 176.91 178.11 2rlz h SER 52 N 0.00 0.20 -0.02 1.39 0.87 -1.21 -3.45 113.55 111.34 2rlz h SER 52 Ca 0.08 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2rlz h SER 52 Cb 1.22 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2rlz h SER 52 CO -0.00 0.63 0.00 0.18 -0.53 0.00 0.00 176.83 177.11 2rlz n LEU 53 N -4.70 0.00 -3.54 2.23 4.77 0.87 -5.12 117.00 111.51 2rlz n LEU 53 Ca -0.07 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.83 2rlz n LEU 53 Cb 0.30 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2rlz n LEU 53 CO 0.36 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.14 2rlz s ALA 54 N -3.68 -1.82 0.12 -1.18 0.00 -1.26 -5.01 121.76 108.92 2rlz s ALA 54 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.92 2rlz s ALA 54 Cb 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 2rlz s ALA 54 CO 0.00 -0.73 0.06 1.33 0.00 0.00 0.00 175.76 176.43 2rlz n VAL 55 N -0.26 0.00 -4.05 0.00 0.24 -1.26 -5.14 118.33 107.85 2rlz n VAL 55 Ca -0.08 -0.74 -0.13 0.00 -2.04 0.00 0.00 64.34 61.34 2rlz n VAL 55 Cb 0.61 0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.26 2rlz n VAL 55 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2rlz s SER 56 N -1.75 0.67 0.01 -1.34 0.15 -1.26 -4.79 113.70 105.39 2rlz s SER 56 Ca 0.09 -1.37 -0.30 0.00 0.70 0.00 0.00 55.95 55.06 2rlz s SER 56 Cb 0.00 0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 64.93 2rlz s SER 56 CO 0.06 -1.30 1.29 -0.89 1.20 0.00 0.00 173.24 173.60 2rlz s THR 57 N -3.14 3.90 0.00 6.45 2.01 -1.26 -2.59 115.64 121.01 2rlz s THR 57 Ca 0.28 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.59 2rlz s THR 57 Cb -0.01 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2rlz s THR 57 CO 0.18 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2rlz n GLY 58 N 3.44 3.29 3.24 4.40 0.00 -1.26 -5.05 105.19 113.25 2rlz n GLY 58 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2rlz n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rlz n THR 59 N -1.34 0.00 -4.01 2.61 -2.24 -1.07 -5.05 114.28 103.17 2rlz n THR 59 Ca 0.00 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 2rlz n THR 59 Cb 0.00 -0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 67.37 2rlz n THR 59 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2rlz s GLU 60 N -4.15 1.22 -0.00 -0.78 -1.05 -1.26 -5.00 118.70 107.68 2rlz s GLU 60 Ca 0.58 -1.27 -0.00 0.00 -0.15 0.00 0.00 54.97 54.13 2rlz s GLU 60 Cb -0.14 0.37 -0.00 0.00 -0.44 0.00 0.00 34.13 33.92 2rlz s GLU 60 CO 0.56 -0.45 0.00 0.54 0.95 0.00 0.00 175.26 176.87 2rlz s VAL 61 N -4.01 0.01 -0.59 1.83 0.11 -1.26 -4.80 120.40 111.70 2rlz s VAL 61 Ca 0.21 -0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.96 2rlz s VAL 61 Cb 0.03 -0.05 0.09 0.00 -1.53 0.00 0.00 36.38 34.92 2rlz s VAL 61 CO 0.03 -0.06 0.74 -0.89 -3.33 0.00 0.00 175.10 171.59 2rlz s THR 62 N -0.18 4.75 -0.24 5.04 2.01 -0.55 -4.91 115.64 121.55 2rlz s THR 62 Ca -0.02 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 60.96 2rlz s THR 62 Cb -0.01 -4.50 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 2rlz s THR 62 CO -0.00 -1.14 0.58 -0.22 -0.69 0.00 0.00 174.62 173.15 2rlz s LEU 63 N 2.89 4.08 -0.13 4.42 2.96 -1.26 -2.19 118.68 129.45 2rlz s LEU 63 Ca 0.14 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2rlz s LEU 63 Cb -0.22 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.69 2rlz s LEU 63 CO 0.08 -0.31 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.94 2rlz s ILE 64 N 2.29 2.10 -0.11 6.68 1.01 -0.77 -4.97 121.20 127.43 2rlz s ILE 64 Ca 0.25 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2rlz s ILE 64 Cb -0.16 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.52 2rlz s ILE 64 CO 0.09 0.55 -0.03 0.00 0.00 0.00 0.00 174.94 175.55 2rlz s ALA 65 N 0.68 1.08 -0.29 9.38 0.00 -1.25 -2.78 121.76 128.59 2rlz s ALA 65 Ca -0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 2rlz s ALA 65 Cb -0.16 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.09 2rlz s ALA 65 CO 0.01 -0.58 -0.01 1.14 0.00 0.00 0.00 175.76 176.33 2rlz s GLN 66 N 1.81 2.57 0.00 0.00 -2.07 -1.25 -4.93 119.66 115.79 2rlz s GLN 66 Ca 0.04 -1.17 0.00 0.00 -1.82 0.00 0.00 55.36 52.41 2rlz s GLN 66 Cb -0.13 -3.15 0.00 0.00 -1.09 0.00 0.00 33.01 28.64 2rlz s GLN 66 CO -0.07 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.75 2rlz n GLY 67 N 4.65 -0.18 0.13 2.60 0.00 -1.26 -4.23 105.19 106.89 2rlz n GLY 67 Ca -0.14 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 2rlz n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rlz n GLU 68 N 0.00 0.60 0.00 1.61 2.13 -1.26 -4.11 120.64 119.62 2rlz n GLU 68 Ca 0.00 0.35 0.02 0.00 0.66 0.00 0.00 57.16 58.19 2rlz n GLU 68 Cb 0.00 -1.60 0.10 0.00 0.27 0.00 0.00 31.44 30.21 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2rlz n ASP 69 N -4.12 0.00 0.00 4.31 9.92 -1.26 -3.12 116.55 122.27 2rlz n ASP 69 Ca -0.44 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 2rlz n ASP 69 Cb 0.85 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 2rlz n ASP 69 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2rlz n GLU 70 N -0.78 0.00 0.10 -1.24 -0.00 -1.26 -2.89 120.64 114.57 2rlz n GLU 70 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.06 2rlz n GLU 70 Cb 0.01 -1.50 -0.05 0.00 -0.00 0.00 0.00 31.44 29.90 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 -0.45 -0.48 3.44 4.15 -1.89 -0.31 115.11 119.57 2rlz h GLN 71 Ca 0.00 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.59 2rlz h GLN 71 Cb 0.00 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2rlz h GLN 71 CO 0.00 -0.30 0.52 0.93 -1.93 0.00 0.00 178.83 178.05 2rlz h GLU 72 N -0.47 0.00 0.31 1.69 4.39 -1.87 1.03 114.58 119.66 2rlz h GLU 72 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2rlz h GLU 72 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2rlz h GLU 72 CO -0.18 0.00 -0.15 0.00 -1.16 0.00 0.00 179.01 177.52 2rlz h ALA 73 N 1.40 -0.42 0.13 3.43 0.00 -1.28 0.41 119.26 122.93 2rlz h ALA 73 Ca 0.23 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 2rlz h ALA 73 Cb 1.27 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2rlz h ALA 73 CO -0.00 -0.55 -1.43 -0.07 0.00 0.00 0.00 179.25 177.20 2rlz h LEU 74 N -0.79 0.42 0.19 0.00 3.38 -1.10 -2.55 115.31 114.86 2rlz h LEU 74 Ca -0.04 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2rlz h LEU 74 Cb 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2rlz h LEU 74 CO 0.07 1.43 -0.09 -0.08 0.09 0.00 0.00 178.44 179.85 2rlz h GLU 75 N 0.07 -0.25 0.00 1.13 4.81 0.94 -3.32 114.58 117.97 2rlz h GLU 75 Ca -0.21 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2rlz h GLU 75 Cb 2.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.44 2rlz h GLU 75 CO 0.18 -0.16 -0.16 -0.22 -0.73 0.00 0.00 179.01 177.92 2rlz h LYS 76 N -0.44 0.00 -0.99 1.92 1.63 -1.51 -3.22 116.57 113.96 2rlz h LYS 76 Ca -0.03 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.02 2rlz h LYS 76 Cb 0.20 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.75 2rlz h LYS 76 CO 0.04 0.00 0.65 -0.07 -3.45 0.00 0.00 179.45 176.62 2rlz h LEU 77 N -0.76 0.41 0.02 5.20 3.38 -0.98 0.78 115.31 123.35 2rlz h LEU 77 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2rlz h LEU 77 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2rlz h LEU 77 CO 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 178.44 178.64 2rlz h ALA 78 N 1.60 -0.02 -0.22 1.53 0.00 -1.55 0.22 119.26 120.81 2rlz h ALA 78 Ca 0.54 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2rlz h ALA 78 Cb 1.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2rlz h ALA 78 CO -0.23 -0.28 -0.29 0.00 0.00 0.00 0.00 179.25 178.45 2rlz h ALA 79 N 0.48 1.09 0.15 0.00 0.00 -1.21 -2.04 119.26 117.72 2rlz h ALA 79 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2rlz h ALA 79 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2rlz h ALA 79 CO 0.00 0.57 -0.07 -0.92 0.00 0.00 0.00 179.25 178.83 2rlz h TYR 80 N 0.38 -0.19 0.00 0.00 3.20 0.52 -2.52 116.97 118.36 2rlz h TYR 80 Ca 0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2rlz h TYR 80 Cb 0.71 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2rlz h TYR 80 CO 0.02 0.25 0.00 0.28 -1.64 0.00 0.00 178.16 177.07 2rlz n VAL 81 N -4.92 1.05 1.02 1.81 0.31 0.76 0.23 118.33 118.59 2rlz n VAL 81 Ca -0.08 0.73 0.12 0.00 -0.01 0.00 0.00 64.34 65.10 2rlz n VAL 81 Cb 0.27 -1.73 0.12 0.00 -0.91 0.00 0.00 33.84 31.59 2rlz n VAL 81 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2rlz n GLN 82 N -2.25 2.27 -4.10 5.55 7.27 -0.77 -4.95 117.38 120.40 2rlz n GLN 82 Ca -0.01 -1.86 -0.34 0.00 0.07 0.00 0.00 57.00 54.85 2rlz n GLN 82 Cb 0.04 -1.46 -0.05 0.00 2.41 0.00 0.00 30.24 31.18 2rlz n GLN 82 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2rlz n GLU 83 N 1.26 -1.84 -1.66 3.69 -0.58 0.14 -4.81 120.64 116.84 2rlz n GLU 83 Ca 0.14 0.21 -0.41 0.00 -0.42 0.00 0.00 57.16 56.69 2rlz n GLU 83 Cb 0.58 -4.83 0.02 0.00 -0.57 0.00 0.00 31.44 26.64 2rlz n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2rlz n GLU 84 N -3.91 1.58 0.00 3.49 2.13 -1.01 -5.07 120.64 117.85 2rlz n GLU 84 Ca 0.08 0.57 0.15 0.00 0.66 0.00 0.00 57.16 58.62 2rlz n GLU 84 Cb 0.47 -2.23 0.71 0.00 0.27 0.00 0.00 31.44 30.67 2rlz n GLU 84 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05