#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 0.02 -0.23 3.17 1.01 -1.26 -5.18 120.40 117.93 2rlz s VAL 2 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2rlz s VAL 2 Cb 0.00 -1.24 0.11 0.00 0.00 0.00 0.00 36.38 35.25 2rlz s VAL 2 CO 0.00 -0.07 0.97 0.00 0.00 0.00 0.00 175.10 176.00 2rlz s GLN 3 N -3.80 0.60 0.17 2.72 -2.07 -1.26 -5.18 119.66 110.84 2rlz s GLN 3 Ca 0.04 0.48 -0.03 0.00 -1.82 0.00 0.00 55.36 54.03 2rlz s GLN 3 Cb -0.01 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 2rlz s GLN 3 CO -0.09 -0.12 0.15 1.14 -1.32 0.00 0.00 175.29 175.06 2rlz s GLN 4 N -0.24 1.12 0.69 9.60 -2.07 -1.26 -5.16 119.66 122.34 2rlz s GLN 4 Ca 0.00 -1.45 -0.13 0.00 -1.82 0.00 0.00 55.36 51.96 2rlz s GLN 4 Cb -0.03 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 2rlz s GLN 4 CO -0.02 -0.37 1.09 0.21 -1.32 0.00 0.00 175.29 174.88 2rlz s LYS 5 N -4.08 2.73 0.25 9.60 2.20 -1.26 -5.06 119.74 124.13 2rlz s LYS 5 Ca 0.29 1.24 -0.08 0.00 -0.36 0.00 0.00 55.97 57.06 2rlz s LYS 5 Cb 0.06 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.42 2rlz s LYS 5 CO 0.06 -1.28 0.39 0.14 -0.36 0.00 0.00 175.35 174.30 2rlz s VAL 6 N -2.61 0.00 -0.02 4.02 -7.23 -1.26 -5.17 120.40 108.12 2rlz s VAL 6 Ca 0.64 -1.59 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 2rlz s VAL 6 Cb -0.18 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 2rlz s VAL 6 CO 0.47 0.00 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.32 2rlz s GLU 7 N -3.87 2.18 0.35 4.82 2.12 -1.26 -5.12 118.70 117.93 2rlz s GLU 7 Ca 0.28 -0.89 -0.27 0.00 0.36 0.00 0.00 54.97 54.46 2rlz s GLU 7 Cb 0.01 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.20 2rlz s GLU 7 CO 0.12 0.57 1.13 0.08 -0.54 0.00 0.00 175.26 176.62 2rlz s VAL 8 N -0.64 3.37 0.00 3.70 1.01 -1.26 -4.89 120.40 121.69 2rlz s VAL 8 Ca 0.10 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2rlz s VAL 8 Cb -0.10 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2rlz s VAL 8 CO -0.01 0.17 0.00 -1.14 0.00 0.00 0.00 175.10 174.13 2rlz n ARG 9 N 0.50 0.00 -0.79 2.72 0.63 -1.26 -5.13 116.66 113.32 2rlz n ARG 9 Ca 0.02 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.62 2rlz n ARG 9 Cb 0.46 -0.12 0.12 0.00 0.45 0.00 0.00 32.46 33.38 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 -1.88 -4.61 6.15 4.32 -1.26 -4.90 117.00 114.82 2rlz n LEU 10 Ca 0.00 0.13 -0.31 0.00 -0.02 0.00 0.00 56.01 55.81 2rlz n LEU 10 Cb 0.16 -1.01 0.17 0.00 -1.62 0.00 0.00 43.42 41.12 2rlz n LEU 10 CO 0.00 -3.65 0.54 0.29 -1.22 0.00 0.00 177.39 173.34 2rlz n LYS 11 N -0.99 -0.62 -3.88 3.23 5.02 -1.26 -5.04 118.16 114.62 2rlz n LYS 11 Ca 0.03 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.09 2rlz n LYS 11 Cb 0.59 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 2rlz n LYS 11 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2rlz s THR 12 N -2.58 0.07 -0.82 -0.18 -4.23 -1.26 -5.15 115.64 101.49 2rlz s THR 12 Ca 0.65 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2rlz s THR 12 Cb -0.23 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.25 2rlz s THR 12 CO 0.60 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2rlz n GLY 13 N 1.75 -1.00 3.85 3.99 0.00 -1.26 -4.77 105.19 107.75 2rlz n GLY 13 Ca -0.21 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 2rlz n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rlz s LEU 14 N 0.00 3.64 0.00 0.99 1.43 -1.26 -5.08 118.68 118.40 2rlz s LEU 14 Ca 0.00 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2rlz s LEU 14 Cb 0.00 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.77 2rlz s LEU 14 CO 0.00 -0.57 0.00 0.00 0.23 0.00 0.00 176.35 176.01 2rlz n GLN 15 N -1.57 0.56 -0.01 1.70 1.13 -1.26 -4.99 117.38 112.95 2rlz n GLN 15 Ca 0.06 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.96 2rlz n GLN 15 Cb 0.54 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.75 2rlz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rlz n ALA 16 N -3.00 1.14 0.00 -1.58 0.00 -1.26 -3.96 120.51 111.85 2rlz n ALA 16 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 2rlz n ALA 16 Cb 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 0.04 0.08 -0.80 0.00 3.08 -1.99 -1.47 114.38 113.32 2rlz h ARG 17 Ca -0.38 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.73 2rlz h ARG 17 Cb 2.03 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 32.00 2rlz h ARG 17 CO 0.08 0.20 0.47 -1.35 -1.07 0.00 0.00 179.97 178.31 2rlz h PRO 18 N -0.06 0.81 -0.40 0.04 0.11 -1.97 -0.13 132.00 130.40 2rlz h PRO 18 Ca 0.02 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 2rlz h PRO 18 Cb 0.15 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2rlz h PRO 18 CO -0.00 0.54 -0.13 0.00 -0.21 0.00 0.00 178.00 178.20 2rlz h ALA 19 N 1.41 0.56 -0.60 -0.75 0.00 -1.66 -1.78 119.26 116.44 2rlz h ALA 19 Ca 0.37 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2rlz h ALA 19 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2rlz h ALA 19 CO -0.21 0.46 0.24 0.00 0.00 0.00 0.00 179.25 179.74 2rlz h ALA 20 N 0.83 0.79 -0.65 0.00 0.00 -0.70 -2.76 119.26 116.77 2rlz h ALA 20 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2rlz h ALA 20 Cb 0.67 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2rlz h ALA 20 CO 0.05 0.40 0.13 -0.07 0.00 0.00 0.00 179.25 179.76 2rlz h LEU 21 N 0.84 1.00 -0.91 0.00 3.38 -0.96 -2.79 115.31 115.87 2rlz h LEU 21 Ca 0.20 -0.22 0.25 0.00 0.09 0.00 0.00 57.88 58.20 2rlz h LEU 21 Cb 0.21 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 40.55 2rlz h LEU 21 CO -0.02 0.98 0.35 0.15 0.09 0.00 0.00 178.44 179.99 2rlz h PHE 22 N 0.99 0.56 -0.07 1.13 3.57 -1.02 0.60 116.94 122.70 2rlz h PHE 22 Ca 0.20 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.58 2rlz h PHE 22 Cb 0.39 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2rlz h PHE 22 CO 0.03 -0.16 -0.69 0.28 -2.23 0.00 0.00 178.31 175.54 2rlz h VAL 23 N 0.29 1.39 0.00 1.41 2.07 -1.52 -2.98 116.25 116.90 2rlz h VAL 23 Ca 0.59 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 2rlz h VAL 23 Cb 1.22 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2rlz h VAL 23 CO -0.61 0.63 -0.00 1.56 0.02 0.00 0.00 177.57 179.17 2rlz h GLN 24 N 0.24 0.00 -0.06 1.57 1.08 0.33 0.75 115.11 119.02 2rlz h GLN 24 Ca -0.02 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 2rlz h GLN 24 Cb 1.25 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.69 2rlz h GLN 24 CO 0.12 0.00 -0.37 0.93 -0.95 0.00 0.00 178.83 178.56 2rlz h GLU 25 N 0.00 0.36 0.00 1.46 5.08 -1.15 -3.21 114.58 117.12 2rlz h GLU 25 Ca -0.00 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 2rlz h GLU 25 Cb 0.00 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2rlz h GLU 25 CO 0.00 0.95 -0.55 0.00 -1.00 0.00 0.00 179.01 178.42 2rlz h ALA 26 N 0.41 0.74 -0.99 3.43 0.00 -1.41 -3.07 119.26 118.36 2rlz h ALA 26 Ca -0.03 -0.50 0.29 0.00 0.00 0.00 0.00 54.91 54.67 2rlz h ALA 26 Cb 1.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2rlz h ALA 26 CO 0.08 0.68 0.72 -0.97 0.00 0.00 0.00 179.25 179.76 2rlz h ASN 27 N 0.00 0.00 0.40 0.00 -0.73 0.49 1.93 115.58 117.67 2rlz h ASN 27 Ca -0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2rlz h ASN 27 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 2rlz h ASN 27 CO 0.07 0.00 -0.75 0.54 -0.37 0.00 0.00 177.43 176.92 2rlz n ARG 28 N -4.19 0.09 -3.67 6.67 1.74 -1.16 -4.79 116.66 111.35 2rlz n ARG 28 Ca 0.21 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.05 2rlz n ARG 28 Cb 1.07 -1.54 -0.17 0.00 -1.02 0.00 0.00 32.46 30.80 2rlz n ARG 28 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2rlz s PHE 29 N -3.06 0.32 -0.33 -1.55 0.40 0.66 -5.01 117.98 109.41 2rlz s PHE 29 Ca 0.08 -0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2rlz s PHE 29 Cb 0.16 -0.68 0.27 0.00 0.51 0.00 0.00 43.02 43.28 2rlz s PHE 29 CO 0.76 -0.40 1.89 0.25 0.70 0.00 0.00 175.22 178.42 2rlz n THR 30 N 5.24 2.70 1.15 0.64 -2.24 -1.23 -4.47 114.28 116.07 2rlz n THR 30 Ca -0.06 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 2rlz n THR 30 Cb 0.49 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2rlz n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2rlz n SER 31 N 0.06 0.37 -2.59 3.42 3.41 -1.26 -4.92 113.62 112.10 2rlz n SER 31 Ca 0.33 -1.52 -0.02 0.00 -0.26 0.00 0.00 58.87 57.41 2rlz n SER 31 Cb 0.72 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 2rlz n SER 31 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rlz n ASP 32 N -0.20 -4.30 -4.46 4.04 9.92 -1.26 -3.57 116.55 116.71 2rlz n ASP 32 Ca 0.00 1.26 -0.34 0.00 -0.53 0.00 0.00 54.79 55.18 2rlz n ASP 32 Cb 0.09 -3.32 -0.13 0.00 -0.64 0.00 0.00 41.12 37.12 2rlz n ASP 32 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2rlz s VAL 33 N -0.31 3.78 -0.08 2.53 1.01 -1.26 -4.23 120.40 121.84 2rlz s VAL 33 Ca -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2rlz s VAL 33 Cb 0.01 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2rlz s VAL 33 CO 0.24 0.48 -0.04 -0.36 0.00 0.00 0.00 175.10 175.42 2rlz s PHE 34 N 0.53 1.00 -0.25 5.22 0.40 -0.60 -4.13 117.98 120.14 2rlz s PHE 34 Ca -0.03 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.76 2rlz s PHE 34 Cb -0.14 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 2rlz s PHE 34 CO 0.03 -0.37 0.35 -0.51 0.70 0.00 0.00 175.22 175.42 2rlz s LEU 35 N 1.67 4.07 0.25 -0.37 1.43 -1.26 -1.43 118.68 123.04 2rlz s LEU 35 Ca 0.02 0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.54 2rlz s LEU 35 Cb -0.13 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 2rlz s LEU 35 CO -0.05 -0.13 -0.12 -0.70 0.23 0.00 0.00 176.35 175.57 2rlz s GLU 36 N 1.81 1.94 -0.30 1.70 2.12 0.78 -2.80 118.70 123.95 2rlz s GLU 36 Ca 0.15 -1.55 -0.18 0.00 0.36 0.00 0.00 54.97 53.76 2rlz s GLU 36 Cb -0.15 -1.97 0.21 0.00 0.26 0.00 0.00 34.13 32.47 2rlz s GLU 36 CO 0.09 0.36 1.30 -1.59 -0.54 0.00 0.00 175.26 174.89 2rlz s LYS 37 N -3.38 0.04 -1.77 4.30 -2.85 0.88 -0.18 119.74 116.78 2rlz s LYS 37 Ca 0.29 0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 2rlz s LYS 37 Cb -0.06 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.72 2rlz s LYS 37 CO 0.16 -0.01 0.00 -0.25 0.10 0.00 0.00 175.35 175.35 2rlz n ASP 38 N 2.80 -4.95 0.00 0.03 9.92 -1.26 -0.47 116.55 122.62 2rlz n ASP 38 Ca -0.16 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 2rlz n ASP 38 Cb 0.56 -4.32 0.00 0.00 -0.64 0.00 0.00 41.12 36.72 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 -0.58 3.02 3.88 0.44 0.00 -1.26 -5.01 105.19 105.69 2rlz n GLY 39 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.27 3.79 0.34 1.61 1.02 0.39 -5.09 119.74 121.53 2rlz s LYS 40 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2rlz s LYS 40 Cb 0.00 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2rlz s LYS 40 CO 0.00 0.26 0.42 0.36 -0.92 0.00 0.00 175.35 175.47 2rlz n LYS 41 N -0.35 0.61 -4.67 1.68 2.85 -1.26 -0.08 118.16 116.93 2rlz n LYS 41 Ca 0.01 -2.91 -0.30 0.00 -1.05 0.00 0.00 58.31 54.05 2rlz n LYS 41 Cb 0.53 2.67 -0.09 0.00 -0.65 0.00 0.00 35.03 37.48 2rlz n LYS 41 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2rlz s VAL 42 N -2.96 1.60 0.06 0.58 -7.23 -1.12 -5.03 120.40 106.29 2rlz s VAL 42 Ca 0.32 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 2rlz s VAL 42 Cb -0.00 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2rlz s VAL 42 CO 0.23 0.00 1.22 -1.13 -0.31 0.00 0.00 175.10 175.11 2rlz h ASN 43 N 1.55 -0.82 0.00 4.85 -1.24 -1.91 -3.42 115.58 114.58 2rlz h ASN 43 Ca -0.44 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2rlz h ASN 43 Cb 1.28 0.35 0.00 0.00 0.73 0.00 0.00 38.32 40.68 2rlz h ASN 43 CO 0.77 -0.13 0.00 0.00 -1.29 0.00 0.00 177.43 176.78 2rlz n ALA 44 N -2.97 0.00 -2.65 1.57 0.00 -1.26 -4.87 120.51 110.33 2rlz n ALA 44 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2rlz n ALA 44 Cb 0.12 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 0.01 -4.32 0.00 2.85 -1.26 -4.46 118.16 110.98 2rlz n LYS 45 Ca 0.00 -0.51 -0.18 0.00 -1.05 0.00 0.00 58.31 56.56 2rlz n LYS 45 Cb 0.00 -0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 2rlz n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2rlz s SER 46 N -0.01 1.16 0.02 -5.58 0.15 -1.26 -4.71 113.70 103.46 2rlz s SER 46 Ca 0.09 -0.28 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 2rlz s SER 46 Cb 0.13 -0.09 -0.18 0.00 -1.71 0.00 0.00 66.02 64.16 2rlz s SER 46 CO -0.10 0.05 1.45 0.40 1.20 0.00 0.00 173.24 176.24 2rlz h ILE 47 N 4.77 1.20 -0.15 6.45 2.04 -1.98 -2.07 117.51 127.78 2rlz h ILE 47 Ca -0.33 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 64.90 2rlz h ILE 47 Cb 1.18 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2rlz h ILE 47 CO 0.47 0.17 0.26 -0.03 0.00 0.00 0.00 178.15 179.02 2rlz h MET 48 N -0.31 0.00 0.02 2.37 4.05 -1.98 0.46 114.93 119.55 2rlz h MET 48 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2rlz h MET 48 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2rlz h MET 48 CO 0.00 0.00 -0.01 0.78 0.23 0.00 0.00 176.91 177.91 2rlz h GLY 49 N 0.00 -0.03 2.00 1.39 0.00 -1.87 -3.33 103.07 101.22 2rlz h GLY 49 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2rlz h GLY 49 CO -0.00 -0.01 -0.27 1.41 0.00 0.00 0.00 176.54 177.66 2rlz h LEU 50 N -0.99 0.00 -1.77 3.11 3.38 -0.72 -2.21 115.31 116.11 2rlz h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rlz h LEU 50 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2rlz h LEU 50 CO 0.01 0.27 0.10 -0.03 0.09 0.00 0.00 178.44 178.88 2rlz h MET 51 N 0.00 0.00 0.02 1.13 4.05 -0.21 -2.85 114.93 117.07 2rlz h MET 51 Ca -0.00 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2rlz h MET 51 Cb 0.55 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 2rlz h MET 51 CO 0.04 0.00 -0.47 1.03 0.23 0.00 0.00 176.91 177.73 2rlz h SER 52 N 0.00 -1.45 -0.86 1.39 0.87 -1.53 -3.47 113.55 108.50 2rlz h SER 52 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2rlz h SER 52 Cb 0.20 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2rlz h SER 52 CO 0.00 -0.47 0.00 0.00 -0.53 0.00 0.00 176.83 175.83 2rlz n LEU 53 N -5.09 0.00 -4.15 2.23 -0.00 -1.08 -5.17 117.00 103.74 2rlz n LEU 53 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.84 2rlz n LEU 53 Cb 0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.67 2rlz n LEU 53 CO 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 177.39 177.24 2rlz s ALA 54 N -1.00 0.87 0.18 1.47 0.00 -1.26 -4.92 121.76 117.09 2rlz s ALA 54 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2rlz s ALA 54 Cb 0.00 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.11 2rlz s ALA 54 CO 0.00 -0.53 0.00 1.33 0.00 0.00 0.00 175.76 176.56 2rlz n VAL 55 N -0.15 0.00 -3.88 0.00 0.24 -1.26 -5.02 118.33 108.27 2rlz n VAL 55 Ca -0.04 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 2rlz n VAL 55 Cb 0.64 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.91 2rlz n VAL 55 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2rlz s SER 56 N -1.00 0.03 -0.12 -1.34 0.01 -1.26 -4.76 113.70 105.26 2rlz s SER 56 Ca 0.00 -0.20 -0.39 0.00 1.31 0.00 0.00 55.95 56.67 2rlz s SER 56 Cb 0.00 0.20 -0.17 0.00 0.21 0.00 0.00 66.02 66.27 2rlz s SER 56 CO 0.00 -0.34 1.52 1.07 0.41 0.00 0.00 173.24 175.89 2rlz n THR 57 N 1.56 0.14 0.00 1.44 5.66 -1.26 -0.17 114.28 121.65 2rlz n THR 57 Ca -0.22 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2rlz n THR 57 Cb 0.56 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 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 3.28 2.24 3.76 1.09 0.00 -1.26 -5.06 105.19 109.25 2rlz n GLY 58 Ca 0.23 0.00 -0.41 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 -2.41 2.28 0.25 2.61 2.01 0.77 -5.01 115.64 116.13 2rlz s THR 59 Ca 0.00 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.32 2rlz s THR 59 Cb 0.00 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2rlz s THR 59 CO 0.00 0.05 0.25 -1.83 -0.69 0.00 0.00 174.62 172.40 2rlz s GLU 60 N -1.07 3.09 -0.01 4.92 -1.05 -1.26 -4.89 118.70 118.43 2rlz s GLU 60 Ca 0.58 -0.96 0.01 0.00 -0.15 0.00 0.00 54.97 54.45 2rlz s GLU 60 Cb -0.45 -2.67 0.01 0.00 -0.44 0.00 0.00 34.13 30.58 2rlz s GLU 60 CO 0.52 0.41 -0.03 0.54 0.95 0.00 0.00 175.26 177.64 2rlz s VAL 61 N -2.09 0.32 -0.34 1.83 0.11 -1.26 -4.92 120.40 114.06 2rlz s VAL 61 Ca 0.33 -0.12 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 2rlz s VAL 61 Cb -0.08 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 2rlz s VAL 61 CO 0.26 0.12 0.74 -0.89 -3.33 0.00 0.00 175.10 172.00 2rlz s THR 62 N 0.22 4.80 0.16 5.04 2.01 0.75 -4.91 115.64 123.71 2rlz s THR 62 Ca -0.02 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 62.76 2rlz s THR 62 Cb -0.05 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 2rlz s THR 62 CO -0.00 -0.32 0.59 -0.22 -0.69 0.00 0.00 174.62 173.97 2rlz s LEU 63 N 2.94 4.34 -0.11 4.42 2.96 -1.26 -0.15 118.68 131.81 2rlz s LEU 63 Ca 0.30 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 2rlz s LEU 63 Cb -0.14 -3.33 0.04 0.00 0.50 0.00 0.00 46.19 43.26 2rlz s LEU 63 CO 0.15 0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.65 2rlz s ILE 64 N -1.48 0.41 -0.24 6.68 1.01 -0.52 -4.97 121.20 122.09 2rlz s ILE 64 Ca 0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 2rlz s ILE 64 Cb -0.15 -0.68 0.13 0.00 0.01 0.00 0.00 42.46 41.77 2rlz s ILE 64 CO 0.19 0.11 0.47 0.00 0.00 0.00 0.00 174.94 175.71 2rlz s ALA 65 N 1.94 -1.44 -0.01 9.38 0.00 -1.26 -1.57 121.76 128.80 2rlz s ALA 65 Ca 0.03 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2rlz s ALA 65 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2rlz s ALA 65 CO -0.06 -1.06 -0.03 1.14 0.00 0.00 0.00 175.76 175.75 2rlz s GLN 66 N 2.67 0.38 0.00 0.00 -2.07 -1.23 -4.85 119.66 114.55 2rlz s GLN 66 Ca 0.07 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 2rlz s GLN 66 Cb -0.14 -0.42 0.00 0.00 -1.09 0.00 0.00 33.01 31.36 2rlz s GLN 66 CO -0.16 0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 2rlz n GLY 67 N 3.42 0.66 2.49 2.60 0.00 -1.26 -4.81 105.19 108.28 2rlz n GLY 67 Ca -0.18 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 4.61 0.00 1.61 2.13 -1.26 -3.59 120.64 124.14 2rlz n GLU 68 Ca 0.00 -3.50 0.00 0.00 0.66 0.00 0.00 57.16 54.32 2rlz n GLU 68 Cb 0.00 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.09 2rlz n GLU 68 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2rlz n ASP 69 N 1.62 0.00 0.00 4.31 5.68 -1.26 -4.95 116.55 121.95 2rlz n ASP 69 Ca 0.62 -0.11 0.01 0.00 -0.50 0.00 0.00 54.79 54.80 2rlz n ASP 69 Cb 0.25 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.26 2rlz n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2rlz n GLU 70 N 0.00 0.04 -0.11 0.11 -0.00 -1.24 -3.09 120.64 116.35 2rlz n GLU 70 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.11 2rlz n GLU 70 Cb 0.05 -1.38 0.01 0.00 -0.00 0.00 0.00 31.44 30.11 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 -0.04 -0.31 3.44 4.15 -1.92 -1.56 115.11 118.86 2rlz h GLN 71 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2rlz h GLN 71 Cb 0.00 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2rlz h GLN 71 CO 0.00 -0.02 0.18 1.49 -1.93 0.00 0.00 178.83 178.55 2rlz h GLU 72 N -0.04 0.36 -0.18 1.69 4.22 -1.90 2.45 114.58 121.20 2rlz h GLU 72 Ca 0.19 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.66 2rlz h GLU 72 Cb 0.32 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 2rlz h GLU 72 CO -0.41 0.24 -0.31 0.00 -2.18 0.00 0.00 179.01 176.35 2rlz h ALA 73 N 1.14 -0.32 0.04 2.92 0.00 -1.56 2.84 119.26 124.31 2rlz h ALA 73 Ca 0.12 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2rlz h ALA 73 Cb -0.00 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2rlz h ALA 73 CO -0.06 -0.77 -0.54 1.25 0.00 0.00 0.00 179.25 179.13 2rlz h LEU 74 N -0.36 0.13 0.19 0.00 5.85 -1.14 -0.29 115.31 119.69 2rlz h LEU 74 Ca 0.11 -0.89 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 2rlz h LEU 74 Cb 0.53 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2rlz h LEU 74 CO -0.38 1.23 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.78 2rlz h GLU 75 N -0.80 -0.24 0.01 1.25 4.81 0.42 -3.30 114.58 116.73 2rlz h GLU 75 Ca -0.12 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2rlz h GLU 75 Cb 1.26 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2rlz h GLU 75 CO -0.00 -0.16 -0.01 -0.22 -0.73 0.00 0.00 179.01 177.89 2rlz h LYS 76 N -0.41 -0.02 -0.63 1.92 3.64 -0.66 -3.28 116.57 117.12 2rlz h LYS 76 Ca -0.03 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2rlz h LYS 76 Cb 0.19 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 2rlz h LYS 76 CO 0.04 -0.01 0.05 1.25 -2.27 0.00 0.00 179.45 178.51 2rlz h LEU 77 N -0.51 -0.18 -1.59 5.20 5.85 0.48 0.25 115.31 124.81 2rlz h LEU 77 Ca -0.00 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2rlz h LEU 77 Cb 0.01 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2rlz h LEU 77 CO 0.00 -0.08 0.42 0.00 -0.34 0.00 0.00 178.44 178.44 2rlz h ALA 78 N 1.56 1.97 -0.00 1.25 0.00 -1.12 0.99 119.26 123.90 2rlz h ALA 78 Ca 0.34 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 2rlz h ALA 78 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2rlz h ALA 78 CO -0.50 -0.11 -0.85 0.00 0.00 0.00 0.00 179.25 177.78 2rlz h ALA 79 N 1.68 0.55 0.01 0.00 0.00 -0.68 -2.93 119.26 117.88 2rlz h ALA 79 Ca 0.29 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2rlz h ALA 79 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2rlz h ALA 79 CO -0.09 0.89 -0.18 -0.92 0.00 0.00 0.00 179.25 178.96 2rlz h TYR 80 N 0.12 0.15 0.00 0.00 3.20 0.13 -3.17 116.97 117.40 2rlz h TYR 80 Ca -0.04 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2rlz h TYR 80 Cb 1.46 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.72 2rlz h TYR 80 CO 0.03 0.95 0.04 0.28 -1.64 0.00 0.00 178.16 177.81 2rlz h VAL 81 N -0.69 0.00 -2.29 1.81 2.07 0.80 -2.76 116.25 115.19 2rlz h VAL 81 Ca -0.03 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.86 2rlz h VAL 81 Cb 1.01 0.65 -0.40 0.00 -1.52 0.00 0.00 31.29 31.03 2rlz h VAL 81 CO 0.03 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.27 2rlz n GLN 82 N -2.55 3.40 -1.26 1.57 6.02 -1.11 -5.03 117.38 118.42 2rlz n GLN 82 Ca -0.02 -4.78 -0.29 0.00 -0.01 0.00 0.00 57.00 51.89 2rlz n GLN 82 Cb 0.08 -2.29 -0.15 0.00 1.02 0.00 0.00 30.24 28.91 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 0.12 0.00 -0.30 -1.09 -0.58 -1.04 -4.83 120.64 112.92 2rlz n GLU 83 Ca 0.32 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.82 2rlz n GLU 83 Cb 0.38 -1.13 0.23 0.00 -0.57 0.00 0.00 31.44 30.35 2rlz n GLU 83 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2rlz n GLU 84 N 6.34 -3.58 0.00 3.49 1.02 -1.26 -5.14 120.64 121.51 2rlz n GLU 84 Ca 0.56 -1.14 0.14 0.00 -0.02 0.00 0.00 57.16 56.70 2rlz n GLU 84 Cb 0.05 -1.66 0.62 0.00 -0.02 0.00 0.00 31.44 30.43 2rlz n GLU 84 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59