#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgz s LEU 19 N 0.00 1.84 -0.28 1.04 2.96 -1.26 -5.09 118.68 117.88 3kgz s LEU 19 Ca 0.00 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3kgz s LEU 19 Cb 0.00 -1.01 0.08 0.00 0.50 0.00 0.00 46.19 45.76 3kgz s LEU 19 CO 0.00 0.10 0.03 -0.13 -1.32 0.00 0.00 176.35 175.03 3kgz s ARG 20 N 0.39 1.16 0.38 1.98 0.52 -1.26 -5.05 118.95 117.06 3kgz s ARG 20 Ca -0.12 -1.15 -0.25 0.00 -0.52 0.00 0.00 55.73 53.69 3kgz s ARG 20 Cb -0.15 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.78 3kgz s ARG 20 CO 0.04 -0.82 1.04 0.00 0.02 0.00 0.00 175.30 175.58 3kgz s ALA 21 N 1.42 3.14 0.30 2.13 0.00 -1.26 -4.72 121.76 122.77 3kgz s ALA 21 Ca 0.04 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3kgz s ALA 21 Cb -0.18 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 3kgz s ALA 21 CO -0.14 -0.15 1.34 -1.14 0.00 0.00 0.00 175.76 175.67 3kgz s GLN 22 N -2.33 4.33 -0.03 0.00 0.74 -1.26 -1.39 119.66 119.72 3kgz s GLN 22 Ca 0.55 2.23 0.08 0.00 0.05 0.00 0.00 55.36 58.28 3kgz s GLN 22 Cb -0.22 -3.09 -0.13 0.00 1.10 0.00 0.00 33.01 30.67 3kgz s GLN 22 CO 0.28 -0.25 0.15 0.25 -0.55 0.00 0.00 175.29 175.17 3kgz n THR 23 N 1.29 0.13 -3.81 -0.34 -2.24 0.25 -4.85 114.28 104.70 3kgz n THR 23 Ca 0.02 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 3kgz n THR 23 Cb 0.41 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 3kgz n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kgz s ALA 24 N -2.51 -1.38 0.06 6.98 0.00 -1.18 -5.02 121.76 118.71 3kgz s ALA 24 Ca -0.03 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.44 3kgz s ALA 24 Cb 0.05 0.75 -0.12 0.00 0.00 0.00 0.00 23.12 23.80 3kgz s ALA 24 CO 0.36 -1.04 1.80 -2.30 0.00 0.00 0.00 175.76 174.58 3kgz n PRO 25 N -0.48 2.47 -1.33 0.00 -0.02 -1.26 -1.48 135.00 132.90 3kgz n PRO 25 Ca -0.05 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.24 3kgz n PRO 25 Cb 0.60 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 3kgz n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgz n GLY 26 N 4.12 0.93 2.88 -1.23 0.00 -1.26 -5.02 105.19 105.60 3kgz n GLY 26 Ca 0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 3kgz n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgz s ARG 27 N -2.88 0.05 0.01 1.61 1.81 -0.55 -5.06 118.95 113.94 3kgz s ARG 27 Ca 0.00 -0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.00 3kgz s ARG 27 Cb 0.00 -0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.44 3kgz s ARG 27 CO 0.00 0.01 -0.05 -1.58 -0.68 0.00 0.00 175.30 173.00 3kgz s TRP 28 N -0.01 0.46 0.12 -0.53 0.51 -1.26 -0.58 118.94 117.66 3kgz s TRP 28 Ca 0.00 -0.21 -0.32 0.00 -2.12 0.00 0.00 56.10 53.46 3kgz s TRP 28 Cb -0.00 -0.29 -0.11 0.00 -0.81 0.00 0.00 33.47 32.25 3kgz s TRP 28 CO -0.00 -0.04 1.82 -3.47 -0.51 0.00 0.00 176.95 174.76 3kgz n ASP 29 N 2.51 3.98 -0.05 2.95 2.03 -0.48 -2.03 116.55 125.45 3kgz n ASP 29 Ca -0.16 1.00 -0.01 0.00 0.52 0.00 0.00 54.79 56.14 3kgz n ASP 29 Cb 0.57 -1.54 -0.00 0.00 -0.72 0.00 0.00 41.12 39.43 3kgz n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kgz n GLY 30 N 4.19 0.47 3.12 0.27 0.00 -1.26 -4.36 105.19 107.62 3kgz n GLY 30 Ca 0.18 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3kgz n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgz s VAL 31 N -2.00 1.73 -0.03 1.61 1.01 -0.86 -5.12 120.40 116.73 3kgz s VAL 31 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3kgz s VAL 31 Cb 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3kgz s VAL 31 CO 0.00 0.49 0.54 0.00 0.00 0.00 0.00 175.10 176.13 3kgz s ALA 32 N 0.78 3.51 -0.03 5.51 0.00 -1.26 -4.60 121.76 125.67 3kgz s ALA 32 Ca -0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 3kgz s ALA 32 Cb -0.16 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3kgz s ALA 32 CO 0.01 0.16 1.10 0.08 0.00 0.00 0.00 175.76 177.11 3kgz s VAL 33 N -0.10 4.49 -0.52 0.00 1.01 -1.26 -4.60 120.40 119.42 3kgz s VAL 33 Ca 0.29 1.79 0.03 0.00 0.00 0.00 0.00 61.98 64.09 3kgz s VAL 33 Cb -0.17 -4.15 0.13 0.00 0.00 0.00 0.00 36.38 32.19 3kgz s VAL 33 CO 0.15 0.06 0.26 -0.04 0.00 0.00 0.00 175.10 175.54 3kgz s MET 34 N 1.64 2.01 0.43 2.72 -1.94 -0.69 -5.00 119.30 118.47 3kgz s MET 34 Ca 0.54 -2.56 -0.26 0.00 -1.71 0.00 0.00 55.69 51.70 3kgz s MET 34 Cb -0.23 -3.36 -0.08 0.00 2.01 0.00 0.00 34.83 33.17 3kgz s MET 34 CO 0.24 -1.10 1.37 -2.14 -0.01 0.00 0.00 175.02 173.38 3kgz s PRO 35 N -0.19 3.80 -0.03 2.03 0.02 -1.26 -2.38 135.00 137.00 3kgz s PRO 35 Ca 0.17 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 3kgz s PRO 35 Cb -0.25 -2.69 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 3kgz s PRO 35 CO -0.01 -0.68 1.37 0.71 -0.33 0.00 0.00 177.00 178.07 3kgz s TYR 36 N -1.23 2.84 0.04 6.54 2.02 -0.37 -4.93 117.35 122.26 3kgz s TYR 36 Ca 0.59 0.85 -0.31 0.00 -0.37 0.00 0.00 57.07 57.84 3kgz s TYR 36 Cb -0.41 -3.63 -0.06 0.00 -0.40 0.00 0.00 41.96 37.46 3kgz s TYR 36 CO 0.53 -2.30 1.40 -1.59 -1.57 0.00 0.00 175.55 172.02 3kgz s LYS 37 N 2.59 4.30 -0.60 -0.62 -2.85 -1.26 -4.75 119.74 116.55 3kgz s LYS 37 Ca 0.62 2.01 -0.24 0.00 -1.00 0.00 0.00 55.97 57.37 3kgz s LYS 37 Cb -0.30 -3.46 0.05 0.00 -2.06 0.00 0.00 37.83 32.07 3kgz s LYS 37 CO 0.25 -0.52 0.99 -1.14 0.10 0.00 0.00 175.35 175.02 3kgz s GLN 38 N 1.92 3.26 0.67 1.78 2.00 -1.26 -5.01 119.66 123.02 3kgz s GLN 38 Ca 0.64 -0.42 -0.04 0.00 -2.00 0.00 0.00 55.36 53.54 3kgz s GLN 38 Cb -0.34 -4.12 0.06 0.00 0.80 0.00 0.00 33.01 29.42 3kgz s GLN 38 CO 0.28 -1.65 0.96 0.95 -0.50 0.00 0.00 175.29 175.33 3kgz s THR 39 N 4.17 2.36 0.21 -0.34 -4.23 -1.26 -4.98 115.64 111.58 3kgz s THR 39 Ca 0.29 -0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 3kgz s THR 39 Cb -0.13 -2.96 0.12 0.00 1.34 0.00 0.00 72.50 70.87 3kgz s THR 39 CO 0.16 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 175.97 3kgz h ALA 40 N -0.44 0.98 -0.34 3.99 0.00 -2.00 -3.05 119.26 118.40 3kgz h ALA 40 Ca -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3kgz h ALA 40 Cb 1.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kgz h ALA 40 CO 0.55 0.66 0.00 -0.85 0.00 0.00 0.00 179.25 179.61 3kgz n GLU 41 N -4.23 2.13 -1.71 0.00 -0.00 -1.26 -4.97 120.64 110.59 3kgz n GLU 41 Ca 0.05 -1.71 -0.43 0.00 -0.00 0.00 0.00 57.16 55.07 3kgz n GLU 41 Cb 0.26 -1.44 -0.03 0.00 -0.00 0.00 0.00 31.44 30.23 3kgz n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kgz n ALA 42 N 0.91 2.19 1.22 -1.84 0.00 -1.16 -4.89 120.51 116.95 3kgz n ALA 42 Ca 0.17 0.40 0.02 0.00 0.00 0.00 0.00 53.44 54.04 3kgz n ALA 42 Cb 0.45 -2.43 0.07 0.00 0.00 0.00 0.00 19.45 17.54 3kgz n ALA 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kgz n PRO 43 N 3.02 1.49 -4.41 0.00 -0.04 -1.26 -4.82 135.00 128.99 3kgz n PRO 43 Ca 0.13 -0.57 -0.20 0.00 -0.04 0.00 0.00 63.50 62.83 3kgz n PRO 43 Cb 0.34 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 3kgz n PRO 43 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kgz s PHE 44 N -1.65 1.82 -0.12 0.54 -0.12 -1.26 -4.12 117.98 113.08 3kgz s PHE 44 Ca 0.10 -1.03 -0.05 0.00 -0.05 0.00 0.00 56.93 55.90 3kgz s PHE 44 Cb 0.06 -1.16 0.06 0.00 -0.63 0.00 0.00 43.02 41.35 3kgz s PHE 44 CO 0.06 -0.11 0.25 -1.14 -0.05 0.00 0.00 175.22 174.23 3kgz s GLN 45 N -3.94 0.16 -1.14 1.99 0.74 -0.41 -4.94 119.66 112.12 3kgz s GLN 45 Ca 0.37 0.66 -0.10 0.00 0.05 0.00 0.00 55.36 56.33 3kgz s GLN 45 Cb 0.08 -0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.08 3kgz s GLN 45 CO 0.15 -0.24 0.84 -0.25 -0.55 0.00 0.00 175.29 175.23 3kgz n ASP 46 N 4.95 -4.98 -4.31 6.67 8.00 -1.26 -1.69 116.55 123.93 3kgz n ASP 46 Ca -0.13 -0.84 -0.28 0.00 0.71 0.00 0.00 54.79 54.24 3kgz n ASP 46 Cb 0.51 -4.31 -0.14 0.00 -0.02 0.00 0.00 41.12 37.16 3kgz n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kgz s VAL 47 N -3.47 1.96 0.18 2.53 1.01 -1.26 -0.37 120.40 120.98 3kgz s VAL 47 Ca 0.37 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3kgz s VAL 47 Cb -0.09 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3kgz s VAL 47 CO 0.80 0.31 -0.04 -0.94 0.00 0.00 0.00 175.10 175.23 3kgz s SER 48 N -1.21 1.59 0.02 3.32 1.04 0.03 -1.24 113.70 117.25 3kgz s SER 48 Ca 0.10 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.42 3kgz s SER 48 Cb -0.10 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 3kgz s SER 48 CO 0.02 -0.46 -0.05 0.00 0.98 0.00 0.00 173.24 173.72 3kgz s ARG 49 N -3.84 0.39 0.01 4.02 1.70 -1.00 -0.85 118.95 119.38 3kgz s ARG 49 Ca 0.22 -0.54 0.04 0.00 -0.47 0.00 0.00 55.73 54.98 3kgz s ARG 49 Cb 0.05 -0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.25 3kgz s ARG 49 CO 0.04 0.02 -0.13 -0.65 -1.08 0.00 0.00 175.30 173.51 3kgz s GLN 50 N -1.13 0.93 -0.39 3.89 -0.21 0.49 -1.70 119.66 121.53 3kgz s GLN 50 Ca -0.09 -0.56 -0.18 0.00 0.02 0.00 0.00 55.36 54.55 3kgz s GLN 50 Cb -0.08 -0.91 0.01 0.00 1.00 0.00 0.00 33.01 33.04 3kgz s GLN 50 CO -0.00 0.24 0.48 -1.17 -2.12 0.00 0.00 175.29 172.71 3kgz s LEU 51 N -0.66 4.61 -0.16 2.90 1.98 -1.26 -1.09 118.68 125.01 3kgz s LEU 51 Ca 0.03 -0.40 -0.20 0.00 -2.89 0.00 0.00 54.13 50.67 3kgz s LEU 51 Cb -0.06 -2.48 -0.23 0.00 0.66 0.00 0.00 46.19 44.07 3kgz s LEU 51 CO 0.00 -0.55 0.43 -0.07 -1.89 0.00 0.00 176.35 174.27 3kgz h LEU 52 N 9.12 0.15 -7.46 -0.68 3.38 -1.47 -3.48 115.31 114.88 3kgz h LEU 52 Ca -0.27 -0.73 -0.24 0.00 0.09 0.00 0.00 57.88 56.72 3kgz h LEU 52 Cb 1.12 -0.05 -0.31 0.00 0.09 0.00 0.00 40.66 41.50 3kgz h LEU 52 CO 0.79 1.47 -0.61 -0.36 0.09 0.00 0.00 178.44 179.82 3kgz s PHE 53 N -2.39 -0.14 -0.21 1.13 0.08 -0.70 -5.00 117.98 110.75 3kgz s PHE 53 Ca -0.24 0.43 -0.16 0.00 0.12 0.00 0.00 56.93 57.08 3kgz s PHE 53 Cb 0.04 -0.08 0.06 0.00 -0.57 0.00 0.00 43.02 42.46 3kgz s PHE 53 CO 0.68 -0.15 0.54 0.00 -0.10 0.00 0.00 175.22 176.19 3kgz s ALA 54 N 1.04 -1.37 -0.11 5.36 0.00 -1.26 -1.54 121.76 123.88 3kgz s ALA 54 Ca -0.08 1.69 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 3kgz s ALA 54 Cb -0.10 -0.99 0.07 0.00 0.00 0.00 0.00 23.12 22.09 3kgz s ALA 54 CO -0.05 -0.28 0.68 0.34 0.00 0.00 0.00 175.76 176.45 3kgz s ASP 55 N 0.77 -0.68 0.52 0.00 2.15 -1.26 -5.01 116.67 113.16 3kgz s ASP 55 Ca -0.04 0.91 0.23 0.00 0.43 0.00 0.00 52.55 54.07 3kgz s ASP 55 Cb -0.05 0.79 1.34 0.00 -0.30 0.00 0.00 42.92 44.70 3kgz s ASP 55 CO -0.06 -0.51 2.01 -0.65 -0.17 0.00 0.00 175.17 175.80 3kgz h PRO 56 N 3.56 0.04 -0.29 4.34 0.11 -2.02 -1.63 132.00 136.11 3kgz h PRO 56 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kgz h PRO 56 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kgz h PRO 56 CO 0.30 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.21 3kgz n ASN 57 N -4.41 2.50 -4.37 -2.05 3.02 -1.26 -4.83 115.26 103.87 3kgz n ASN 57 Ca 0.08 -1.86 -0.34 0.00 -0.03 0.00 0.00 54.58 52.43 3kgz n ASN 57 Cb 0.51 -0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 39.36 3kgz n ASN 57 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kgz s LEU 58 N -1.48 2.91 0.13 3.41 2.96 -0.62 -5.01 118.68 120.98 3kgz s LEU 58 Ca 0.35 -0.32 0.22 0.00 -0.22 0.00 0.00 54.13 54.16 3kgz s LEU 58 Cb 0.19 -1.71 0.89 0.00 0.50 0.00 0.00 46.19 46.06 3kgz s LEU 58 CO 0.28 0.07 1.69 0.00 -1.32 0.00 0.00 176.35 177.08 3kgz n ALA 59 N 4.15 1.90 -2.47 5.97 0.00 -1.26 -4.56 120.51 124.23 3kgz n ALA 59 Ca -0.18 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 3kgz n ALA 59 Cb 0.52 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 3kgz n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kgz s GLU 61 N -3.69 2.67 -0.19 0.00 2.02 0.29 -4.69 118.70 115.12 3kgz s GLU 61 Ca 0.31 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.62 3kgz s GLU 61 Cb 0.03 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.86 3kgz s GLU 61 CO 0.14 0.55 -0.17 -0.46 0.02 0.00 0.00 175.26 175.34 3kgz s TRP 62 N -0.55 2.74 0.31 1.61 -0.11 -0.59 -2.03 118.94 120.32 3kgz s TRP 62 Ca 0.08 -1.68 0.08 0.00 1.22 0.00 0.00 56.10 55.80 3kgz s TRP 62 Cb -0.12 -1.86 -0.06 0.00 -1.50 0.00 0.00 33.47 29.94 3kgz s TRP 62 CO 0.01 -0.80 -0.08 1.03 -4.62 0.00 0.00 176.95 172.49 3kgz s ARG 63 N 1.30 1.67 -0.12 5.86 0.52 -0.15 -1.13 118.95 126.90 3kgz s ARG 63 Ca 0.03 -1.85 0.02 0.00 -0.52 0.00 0.00 55.73 53.41 3kgz s ARG 63 Cb -0.14 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 33.91 3kgz s ARG 63 CO -0.11 0.10 -0.19 -0.47 0.02 0.00 0.00 175.30 174.65 3kgz s TYR 64 N -2.80 2.37 -0.11 -0.53 5.04 -0.25 -0.56 117.35 120.51 3kgz s TYR 64 Ca 0.31 -1.14 -0.00 0.00 -2.44 0.00 0.00 57.07 53.79 3kgz s TYR 64 Cb 0.03 -1.64 -0.02 0.00 0.35 0.00 0.00 41.96 40.67 3kgz s TYR 64 CO 0.14 -0.53 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.67 3kgz s PHE 65 N 0.83 2.90 -0.11 4.97 0.08 0.32 -0.38 117.98 126.57 3kgz s PHE 65 Ca -0.08 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.70 3kgz s PHE 65 Cb -0.16 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3kgz s PHE 65 CO -0.01 0.05 -0.15 -2.00 -0.10 0.00 0.00 175.22 173.01 3kgz s GLU 66 N -0.13 2.26 -0.27 0.44 2.12 -0.03 -0.28 118.70 122.80 3kgz s GLU 66 Ca 0.01 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.70 3kgz s GLU 66 Cb -0.13 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.33 3kgz s GLU 66 CO 0.03 -0.07 0.05 0.08 -0.54 0.00 0.00 175.26 174.80 3kgz s VAL 67 N 1.02 3.86 0.80 3.70 1.01 0.35 -0.79 120.40 130.35 3kgz s VAL 67 Ca -0.06 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3kgz s VAL 67 Cb -0.15 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.39 3kgz s VAL 67 CO -0.02 0.19 1.15 -1.81 0.00 0.00 0.00 175.10 174.61 3kgz s ASP 68 N 1.51 3.90 -0.07 3.32 1.01 0.50 -1.19 116.67 125.65 3kgz s ASP 68 Ca 0.04 2.14 -0.39 0.00 0.71 0.00 0.00 52.55 55.04 3kgz s ASP 68 Cb -0.16 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.03 3kgz s ASP 68 CO 0.01 -2.45 1.38 1.21 0.21 0.00 0.00 175.17 175.54 3kgz n GLU 69 N -3.42 0.73 -0.40 8.23 0.00 -1.25 -0.81 120.64 123.72 3kgz n GLU 69 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 57.16 57.54 3kgz n GLU 69 Cb 0.52 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 30.09 3kgz n GLU 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kgz n GLY 70 N 2.76 1.45 2.38 8.31 0.00 0.64 -4.99 105.19 115.73 3kgz n GLY 70 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 3kgz n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgz n GLY 71 N -2.00 -0.08 3.44 -0.02 0.00 0.01 -4.84 105.19 101.70 3kgz n GLY 71 Ca 0.00 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 3kgz n GLY 71 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kgz s TYR 72 N -2.18 -0.52 0.74 1.61 -0.85 -0.68 -1.72 117.35 113.74 3kgz s TYR 72 Ca 0.43 0.62 -0.07 0.00 -0.52 0.00 0.00 57.07 57.53 3kgz s TYR 72 Cb -0.02 0.42 0.08 0.00 0.38 0.00 0.00 41.96 42.82 3kgz s TYR 72 CO 0.29 -0.69 1.05 -1.54 -1.52 0.00 0.00 175.55 173.14 3kgz s SER 73 N -1.95 4.59 0.17 -0.18 1.04 -0.33 -1.29 113.70 115.75 3kgz s SER 73 Ca -0.05 0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.46 3kgz s SER 73 Cb -0.01 -0.95 -0.07 0.00 0.10 0.00 0.00 66.02 65.10 3kgz s SER 73 CO -0.01 -1.75 0.96 0.28 0.98 0.00 0.00 173.24 173.70 3kgz s THR 74 N -3.32 4.29 -0.07 2.02 -1.32 -1.26 -4.53 115.64 111.46 3kgz s THR 74 Ca 0.62 2.05 -0.30 0.00 -1.21 0.00 0.00 61.69 62.86 3kgz s THR 74 Cb -0.10 -4.31 -0.05 0.00 -1.51 0.00 0.00 72.50 66.54 3kgz s THR 74 CO 0.46 0.39 1.54 -0.22 -2.21 0.00 0.00 174.62 174.57 3kgz s LEU 75 N -0.50 4.29 0.29 9.08 2.96 -1.26 -4.58 118.68 128.96 3kgz s LEU 75 Ca 0.45 2.11 -0.20 0.00 -0.22 0.00 0.00 54.13 56.27 3kgz s LEU 75 Cb -0.25 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.94 3kgz s LEU 75 CO 0.31 -0.86 0.77 -1.83 -1.32 0.00 0.00 176.35 173.42 3kgz s GLU 76 N 3.64 1.83 0.20 1.98 -1.05 -1.06 -4.34 118.70 119.90 3kgz s GLU 76 Ca 0.68 -1.07 -0.13 0.00 -0.15 0.00 0.00 54.97 54.30 3kgz s GLU 76 Cb -0.31 0.59 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 3kgz s GLU 76 CO 0.26 -0.85 0.43 -0.98 0.95 0.00 0.00 175.26 175.08 3kgz s ARG 77 N -3.41 1.35 -0.12 -4.83 1.70 -0.64 -1.75 118.95 111.25 3kgz s ARG 77 Ca 0.13 -1.07 -0.31 0.00 -0.47 0.00 0.00 55.73 54.00 3kgz s ARG 77 Cb -0.05 0.46 0.13 0.00 -0.57 0.00 0.00 34.95 34.92 3kgz s ARG 77 CO 0.08 -0.55 1.06 -3.38 -1.08 0.00 0.00 175.30 171.43 3kgz s HIS 78 N -3.94 -0.25 0.35 5.89 -3.43 -1.26 0.19 115.29 112.84 3kgz s HIS 78 Ca 0.15 0.23 0.04 0.00 -0.80 0.00 0.00 55.06 54.68 3kgz s HIS 78 Cb 0.00 0.51 0.65 0.00 -1.43 0.00 0.00 32.58 32.31 3kgz s HIS 78 CO 0.01 -0.34 1.95 0.00 -2.00 0.00 0.00 174.74 174.36 3kgz h ALA 79 N 2.11 1.48 -2.75 -1.38 0.00 -1.90 0.26 119.26 117.08 3kgz h ALA 79 Ca -0.15 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 54.12 3kgz h ALA 79 Cb 1.19 -0.19 0.06 0.00 0.00 0.00 0.00 17.79 18.86 3kgz h ALA 79 CO 0.27 0.40 0.52 -3.38 0.00 0.00 0.00 179.25 177.06 3kgz s HIS 80 N -5.31 2.92 0.43 0.00 -3.43 -1.26 -4.20 115.29 104.44 3kgz s HIS 80 Ca -0.09 1.52 -0.02 0.00 -0.80 0.00 0.00 55.06 55.67 3kgz s HIS 80 Cb 0.16 -3.45 -0.03 0.00 -1.43 0.00 0.00 32.58 27.84 3kgz s HIS 80 CO 0.76 -1.58 0.69 0.14 -2.00 0.00 0.00 174.74 172.75 3kgz s VAL 81 N -1.44 4.75 -0.08 -5.38 -7.23 -1.26 -4.70 120.40 105.07 3kgz s VAL 81 Ca 0.60 -0.17 0.05 0.00 -1.81 0.00 0.00 61.98 60.65 3kgz s VAL 81 Cb -0.31 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 32.84 3kgz s VAL 81 CO 0.39 -0.63 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.32 3kgz s HIS 82 N -2.57 2.53 -0.27 2.82 3.76 -0.88 -4.63 115.29 116.05 3kgz s HIS 82 Ca 0.45 -0.76 -0.07 0.00 -0.15 0.00 0.00 55.06 54.53 3kgz s HIS 82 Cb -0.10 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 31.93 3kgz s HIS 82 CO 0.40 -0.24 0.06 0.00 -0.85 0.00 0.00 174.74 174.11 3kgz s ALA 83 N -0.01 3.06 -0.05 -1.40 0.00 -0.90 -1.17 121.76 121.28 3kgz s ALA 83 Ca -0.07 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.62 3kgz s ALA 83 Cb -0.15 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 3kgz s ALA 83 CO 0.05 -0.74 -0.23 0.08 0.00 0.00 0.00 175.76 174.93 3kgz s VAL 84 N 1.53 1.85 -0.11 0.00 1.01 0.12 -0.67 120.40 124.13 3kgz s VAL 84 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3kgz s VAL 84 Cb -0.16 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3kgz s VAL 84 CO 0.02 0.52 -0.10 -0.32 0.00 0.00 0.00 175.10 175.22 3kgz s MET 85 N -0.18 1.74 0.17 2.72 1.75 -0.76 -0.25 119.30 124.49 3kgz s MET 85 Ca -0.01 -0.36 -0.31 0.00 -1.25 0.00 0.00 55.69 53.76 3kgz s MET 85 Cb -0.12 -1.67 -0.10 0.00 2.84 0.00 0.00 34.83 35.78 3kgz s MET 85 CO 0.02 -0.20 1.51 0.42 -0.65 0.00 0.00 175.02 176.13 3kgz s ILE 86 N 1.45 2.75 -0.11 10.11 -1.09 -0.29 -0.32 121.20 133.71 3kgz s ILE 86 Ca 0.01 0.55 0.06 0.00 -2.23 0.00 0.00 60.65 59.05 3kgz s ILE 86 Cb -0.13 -3.36 -0.11 0.00 -1.58 0.00 0.00 42.46 37.28 3kgz s ILE 86 CO -0.06 0.05 -0.01 1.57 -1.23 0.00 0.00 174.94 175.25 3kgz n HIS 87 N 3.69 0.00 -3.81 3.97 -0.00 0.46 0.22 115.22 119.75 3kgz n HIS 87 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.72 3kgz n HIS 87 Cb 0.39 -0.48 -0.11 0.00 -0.00 0.00 0.00 29.99 29.79 3kgz n HIS 87 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3kgz s ARG 88 N -2.24 0.38 3.74 1.57 3.52 -0.62 -4.83 118.95 120.47 3kgz s ARG 88 Ca -0.09 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 3kgz s ARG 88 Cb 0.03 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3kgz s ARG 88 CO 0.36 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 3kgz n GLY 89 N 2.30 0.86 3.72 8.12 0.00 -1.26 -0.91 105.19 118.02 3kgz n GLY 89 Ca -0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 3kgz n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kgz s HIS 90 N 0.00 -0.25 -0.98 1.61 -3.43 -1.08 -3.16 115.29 108.00 3kgz s HIS 90 Ca 0.00 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.17 3kgz s HIS 90 Cb 0.00 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 3kgz s HIS 90 CO 0.00 -0.97 0.00 0.41 -2.00 0.00 0.00 174.74 172.18 3kgz n GLY 91 N -0.43 -0.70 3.07 -1.38 0.00 -0.66 -4.45 105.19 100.64 3kgz n GLY 91 Ca -0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3kgz n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgz s GLN 92 N -0.39 0.51 0.07 1.61 -0.21 -0.37 -1.67 119.66 119.21 3kgz s GLN 92 Ca 0.00 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.57 3kgz s GLN 92 Cb 0.00 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.17 3kgz s GLN 92 CO 0.00 -0.11 -0.11 0.00 -2.12 0.00 0.00 175.29 172.96 3kgz s LEU 94 N -1.95 3.72 -0.22 0.00 2.96 0.27 -0.94 118.68 122.51 3kgz s LEU 94 Ca -0.02 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3kgz s LEU 94 Cb -0.07 -1.98 0.06 0.00 0.50 0.00 0.00 46.19 44.70 3kgz s LEU 94 CO 0.01 0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.38 3kgz s VAL 95 N 1.16 1.12 0.00 1.68 1.01 -0.39 -2.15 120.40 122.84 3kgz s VAL 95 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3kgz s VAL 95 Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3kgz s VAL 95 CO 0.04 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3kgz n GLY 96 N 4.82 1.27 0.20 4.51 0.00 0.23 -1.81 105.19 114.41 3kgz n GLY 96 Ca -0.10 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3kgz n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kgz n GLU 97 N 0.00 2.31 -4.23 1.61 1.02 -1.26 -4.78 120.64 115.31 3kgz n GLU 97 Ca 0.00 -1.50 -0.34 0.00 -0.02 0.00 0.00 57.16 55.30 3kgz n GLU 97 Cb 0.00 -1.08 -0.13 0.00 -0.02 0.00 0.00 31.44 30.20 3kgz n GLU 97 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kgz s THR 98 N -0.87 3.56 -0.23 2.62 2.01 -0.75 -4.98 115.64 116.99 3kgz s THR 98 Ca 0.07 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 3kgz s THR 98 Cb 0.04 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3kgz s THR 98 CO 0.05 0.46 0.09 -0.63 -0.69 0.00 0.00 174.62 173.90 3kgz s ILE 99 N 0.89 4.59 0.11 1.82 1.01 -1.26 -1.26 121.20 127.10 3kgz s ILE 99 Ca -0.01 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.65 3kgz s ILE 99 Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3kgz s ILE 99 CO 0.01 0.36 -0.24 -0.44 0.00 0.00 0.00 174.94 174.63 3kgz s SER 100 N 1.28 2.93 0.21 3.58 0.01 -0.12 -4.97 113.70 116.63 3kgz s SER 100 Ca 0.05 -0.71 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 3kgz s SER 100 Cb -0.15 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 65.82 3kgz s SER 100 CO 0.04 0.13 1.10 -1.81 0.41 0.00 0.00 173.24 173.11 3kgz s ASP 101 N -1.92 7.28 0.01 2.44 1.01 -1.26 -1.18 116.67 123.04 3kgz s ASP 101 Ca 0.10 2.13 0.03 0.00 0.71 0.00 0.00 52.55 55.53 3kgz s ASP 101 Cb -0.10 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3kgz s ASP 101 CO 0.05 -0.19 -0.10 0.68 0.21 0.00 0.00 175.17 175.82 3kgz s VAL 102 N -0.51 0.79 0.24 -1.27 -7.23 -0.67 -4.93 120.40 106.82 3kgz s VAL 102 Ca 0.48 -0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 3kgz s VAL 102 Cb -0.30 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 3kgz s VAL 102 CO 0.36 0.11 0.24 0.00 -0.31 0.00 0.00 175.10 175.51 3kgz s ALA 103 N -0.45 0.95 -0.22 1.32 0.00 -1.26 -1.65 121.76 120.45 3kgz s ALA 103 Ca 0.02 -1.58 -0.40 0.00 0.00 0.00 0.00 51.96 50.00 3kgz s ALA 103 Cb -0.05 1.32 -0.16 0.00 0.00 0.00 0.00 23.12 24.23 3kgz s ALA 103 CO 0.00 -0.67 1.65 0.94 0.00 0.00 0.00 175.76 177.68 3kgz n GLN 104 N -0.36 1.07 0.00 0.00 7.27 -1.19 -1.67 117.38 122.50 3kgz n GLN 104 Ca 0.02 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.48 3kgz n GLN 104 Cb 0.64 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.24 3kgz n GLN 104 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgz n GLY 105 N 3.83 2.19 3.77 1.69 0.00 0.13 -4.98 105.19 111.82 3kgz n GLY 105 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3kgz n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgz s ASP 106 N -1.78 6.23 -0.22 1.61 1.01 -0.67 -4.59 116.67 118.26 3kgz s ASP 106 Ca 0.00 2.76 -0.09 0.00 0.71 0.00 0.00 52.55 55.94 3kgz s ASP 106 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3kgz s ASP 106 CO 0.00 -0.92 0.10 -0.76 0.21 0.00 0.00 175.17 173.80 3kgz s LEU 107 N -2.43 3.86 -0.08 1.23 1.43 -1.26 -1.14 118.68 120.29 3kgz s LEU 107 Ca 0.57 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 3kgz s LEU 107 Cb -0.40 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 3kgz s LEU 107 CO 0.52 0.10 -0.22 -0.69 0.23 0.00 0.00 176.35 176.29 3kgz s VAL 108 N 0.85 1.88 -0.14 -1.59 1.01 0.66 -5.01 120.40 118.05 3kgz s VAL 108 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kgz s VAL 108 Cb -0.13 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 3kgz s VAL 108 CO 0.03 0.52 -0.12 0.12 0.00 0.00 0.00 175.10 175.64 3kgz s PHE 109 N 0.26 2.83 -0.30 5.22 5.36 -1.26 -0.70 117.98 129.39 3kgz s PHE 109 Ca -0.14 -0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 55.09 3kgz s PHE 109 Cb -0.16 -1.88 0.04 0.00 -0.34 0.00 0.00 43.02 40.68 3kgz s PHE 109 CO 0.07 -0.26 0.03 0.42 -1.46 0.00 0.00 175.22 174.02 3kgz s ILE 110 N 0.50 3.33 0.87 3.12 1.01 -0.32 -5.00 121.20 124.70 3kgz s ILE 110 Ca -0.09 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 3kgz s ILE 110 Cb -0.16 -2.84 0.12 0.00 0.01 0.00 0.00 42.46 39.59 3kgz s ILE 110 CO 0.04 -0.05 1.21 -2.16 0.00 0.00 0.00 174.94 173.97 3kgz s PRO 111 N 1.34 1.49 0.42 2.79 0.04 -1.26 -2.07 135.00 137.75 3kgz s PRO 111 Ca -0.02 0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.77 3kgz s PRO 111 Cb -0.19 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3kgz s PRO 111 CO -0.00 -1.90 1.39 -2.30 0.04 0.00 0.00 177.00 174.22 3kgz n PRO 112 N -3.51 2.23 -3.79 0.56 -0.02 -1.26 -3.60 135.00 125.60 3kgz n PRO 112 Ca 0.10 0.79 -0.24 0.00 -2.02 0.00 0.00 63.50 62.13 3kgz n PRO 112 Cb 0.60 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3kgz n PRO 112 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3kgz n MET 113 N 0.03 -4.63 -4.08 -0.52 2.81 0.92 -4.95 117.12 106.70 3kgz n MET 113 Ca 0.05 0.57 -0.29 0.00 -1.81 0.00 0.00 57.70 56.22 3kgz n MET 113 Cb 0.40 -5.09 -0.17 0.00 -0.71 0.00 0.00 33.22 27.66 3kgz n MET 113 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3kgz s THR 114 N -3.67 1.41 0.30 2.03 2.01 -1.24 -4.87 115.64 111.61 3kgz s THR 114 Ca 0.11 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 3kgz s THR 114 Cb -0.06 -1.33 -0.12 0.00 0.01 0.00 0.00 72.50 71.00 3kgz s THR 114 CO 0.83 0.43 1.58 0.79 -0.69 0.00 0.00 174.62 177.56 3kgz n TRP 115 N 4.69 2.85 -3.68 4.92 7.02 -1.26 -4.54 117.44 127.43 3kgz n TRP 115 Ca -0.16 0.28 -0.14 0.00 -1.02 0.00 0.00 57.50 56.46 3kgz n TRP 115 Cb 0.50 -2.59 -0.07 0.00 -2.42 0.00 0.00 31.31 26.73 3kgz n TRP 115 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 3kgz s HIS 116 N -0.14 -0.29 -0.19 -5.99 -3.43 -0.72 -0.60 115.29 103.92 3kgz s HIS 116 Ca 0.63 0.40 -0.27 0.00 -0.80 0.00 0.00 55.06 55.01 3kgz s HIS 116 Cb -0.50 0.20 0.07 0.00 -1.43 0.00 0.00 32.58 30.92 3kgz s HIS 116 CO 0.50 -0.50 0.71 -1.14 -2.00 0.00 0.00 174.74 172.31 3kgz s GLN 117 N -1.75 0.92 -0.04 -0.38 0.74 -0.91 -2.55 119.66 115.68 3kgz s GLN 117 Ca -0.10 0.73 0.04 0.00 0.05 0.00 0.00 55.36 56.08 3kgz s GLN 117 Cb -0.03 0.44 -0.03 0.00 1.10 0.00 0.00 33.01 34.50 3kgz s GLN 117 CO 0.03 -0.18 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.39 3kgz s PHE 118 N -0.19 2.71 -0.04 1.67 0.08 -1.26 -0.56 117.98 120.39 3kgz s PHE 118 Ca -0.04 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 56.89 3kgz s PHE 118 Cb -0.03 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3kgz s PHE 118 CO 0.04 0.21 -0.10 1.03 -0.10 0.00 0.00 175.22 176.30 3kgz s ARG 119 N -0.80 1.22 -1.33 0.44 0.52 0.30 -1.19 118.95 118.11 3kgz s ARG 119 Ca 0.12 -0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 54.93 3kgz s ARG 119 Cb -0.11 -1.09 0.12 0.00 0.52 0.00 0.00 34.95 34.39 3kgz s ARG 119 CO 0.01 0.08 2.28 0.00 0.02 0.00 0.00 175.30 177.68 3kgz n ALA 120 N 3.52 6.46 -1.26 2.13 0.00 -0.70 -1.24 120.51 129.42 3kgz n ALA 120 Ca -0.21 -4.12 -0.13 0.00 0.00 0.00 0.00 53.44 48.99 3kgz n ALA 120 Cb 0.53 -2.86 0.21 0.00 0.00 0.00 0.00 19.45 17.33 3kgz n ALA 120 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kgz n ASN 121 N 2.41 3.53 -0.88 0.00 6.94 -1.26 -0.26 115.26 125.72 3kgz n ASN 121 Ca 0.57 -3.57 0.05 0.00 -0.02 0.00 0.00 54.58 51.61 3kgz n ASN 121 Cb 0.28 -0.74 0.08 0.00 -2.36 0.00 0.00 39.78 37.04 3kgz n ASN 121 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kgz n ARG 122 N -0.93 0.60 -0.09 -3.83 5.12 -1.26 -4.98 116.66 111.29 3kgz n ARG 122 Ca 0.46 -2.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.13 3kgz n ARG 122 Cb 1.38 -0.73 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 3kgz n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kgz n GLY 123 N -0.28 0.50 3.24 -0.13 0.00 -1.26 -4.93 105.19 102.32 3kgz n GLY 123 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3kgz n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kgz s ASP 124 N -2.78 0.53 0.80 1.61 -1.08 -1.26 -5.02 116.67 109.47 3kgz s ASP 124 Ca 0.00 -1.43 -0.11 0.00 -0.52 0.00 0.00 52.55 50.49 3kgz s ASP 124 Cb 0.00 0.35 0.07 0.00 -1.46 0.00 0.00 42.92 41.88 3kgz s ASP 124 CO 0.00 -0.84 1.10 0.00 0.52 0.00 0.00 175.17 175.95 3kgz s LEU 126 N -5.78 0.70 -0.04 0.00 2.96 -0.33 -2.65 118.68 113.53 3kgz s LEU 126 Ca 0.61 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 3kgz s LEU 126 Cb -0.14 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 3kgz s LEU 126 CO 0.54 -0.21 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.36 3kgz s GLY 127 N 1.95 1.47 -0.02 7.98 0.00 -0.09 -0.49 107.32 118.11 3kgz s GLY 127 Ca 0.04 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 3kgz s GLY 127 CO -0.06 -0.80 0.17 -0.11 0.00 0.00 0.00 173.10 172.30 3kgz s PHE 128 N -0.69 -0.05 0.25 1.90 -0.12 0.61 -0.40 117.98 119.48 3kgz s PHE 128 Ca 0.11 0.09 -0.26 0.00 -0.05 0.00 0.00 56.93 56.82 3kgz s PHE 128 Cb -0.11 -0.00 -0.09 0.00 -0.63 0.00 0.00 43.02 42.19 3kgz s PHE 128 CO 0.00 -0.24 0.87 -0.51 -0.05 0.00 0.00 175.22 175.29 3kgz s LEU 129 N -0.92 4.47 -0.04 -1.99 1.43 0.56 -0.53 118.68 121.67 3kgz s LEU 129 Ca -0.10 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3kgz s LEU 129 Cb -0.05 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.51 3kgz s LEU 129 CO 0.01 0.06 0.05 0.00 0.23 0.00 0.00 176.35 176.70 3kgz s VAL 131 N 1.91 3.50 0.05 0.00 1.01 0.16 -0.97 120.40 126.06 3kgz s VAL 131 Ca 0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3kgz s VAL 131 Cb -0.12 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3kgz s VAL 131 CO -0.03 0.49 0.01 0.68 0.00 0.00 0.00 175.10 176.25 3kgz s VAL 132 N 0.62 0.19 0.49 2.92 -7.23 -0.86 -2.13 120.40 114.40 3kgz s VAL 132 Ca -0.04 -1.54 -0.24 0.00 -1.81 0.00 0.00 61.98 58.35 3kgz s VAL 132 Cb -0.15 -1.28 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 3kgz s VAL 132 CO 0.03 -0.85 1.40 0.20 -0.31 0.00 0.00 175.10 175.56 3kgz s ASN 133 N -2.66 5.59 0.24 4.85 0.01 -1.26 -0.54 114.94 121.17 3kgz s ASN 133 Ca 0.03 2.85 -0.04 0.00 -0.71 0.00 0.00 52.86 54.98 3kgz s ASN 133 Cb 0.05 -2.65 0.28 0.00 0.41 0.00 0.00 41.25 39.34 3kgz s ASN 133 CO -0.09 -1.36 1.78 0.00 -1.51 0.00 0.00 177.10 175.93 3kgz h ALA 134 N 1.92 1.10 -2.85 0.60 0.00 -1.32 -3.38 119.26 115.34 3kgz h ALA 134 Ca -0.51 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 53.49 3kgz h ALA 134 Cb 1.28 -0.25 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 3kgz h ALA 134 CO 0.59 0.60 -0.54 0.00 0.00 0.00 0.00 179.25 179.91 3kgz s ALA 135 N -5.28 3.26 0.22 0.00 0.00 -1.26 -4.99 121.76 113.70 3kgz s ALA 135 Ca -0.11 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.16 3kgz s ALA 135 Cb 0.15 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.80 3kgz s ALA 135 CO 0.82 -1.15 0.45 -0.98 0.00 0.00 0.00 175.76 174.90 3kgz s ARG 136 N 1.58 1.42 0.51 0.00 1.70 -1.26 -5.11 118.95 117.79 3kgz s ARG 136 Ca 0.03 -1.13 -0.04 0.00 -0.47 0.00 0.00 55.73 54.11 3kgz s ARG 136 Cb -0.18 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3kgz s ARG 136 CO 0.06 -0.58 0.81 0.16 -1.08 0.00 0.00 175.30 174.67 3kgz s ASP 137 N -2.97 5.95 0.43 -2.89 -4.77 -1.26 -5.05 116.67 106.11 3kgz s ASP 137 Ca 0.18 0.74 -0.21 0.00 -3.30 0.00 0.00 52.55 49.95 3kgz s ASP 137 Cb 0.00 -1.93 -0.11 0.00 -1.09 0.00 0.00 42.92 39.79 3kgz s ASP 137 CO 0.04 -0.77 0.96 -0.13 0.70 0.00 0.00 175.17 175.97 3kgz s ARG 138 N -4.80 4.18 0.55 2.11 0.52 -1.26 -4.82 118.95 115.44 3kgz s ARG 138 Ca 0.50 1.17 -0.21 0.00 -0.52 0.00 0.00 55.73 56.67 3kgz s ARG 138 Cb -0.10 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 3kgz s ARG 138 CO 0.44 -0.07 1.30 -2.14 0.02 0.00 0.00 175.30 174.85 3kgz s PRO 139 N -3.13 3.13 -0.19 3.54 0.02 -1.26 -4.79 135.00 132.32 3kgz s PRO 139 Ca 0.62 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.70 3kgz s PRO 139 Cb -0.11 -2.18 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 3kgz s PRO 139 CO 0.15 -1.15 -0.03 -0.65 -0.33 0.00 0.00 177.00 174.98 3kgz s GLN 140 N -2.99 3.52 0.28 5.54 -0.21 0.13 -4.96 119.66 120.97 3kgz s GLN 140 Ca 0.73 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 55.48 3kgz s GLN 140 Cb -0.37 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 3kgz s GLN 140 CO 0.43 0.00 0.54 -0.51 -2.12 0.00 0.00 175.29 173.63 3kgz s LEU 141 N 0.99 4.08 0.25 2.90 1.43 -1.26 -1.62 118.68 125.44 3kgz s LEU 141 Ca 0.01 0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 3kgz s LEU 141 Cb -0.15 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3kgz s LEU 141 CO 0.01 -0.18 1.19 -2.16 0.23 0.00 0.00 176.35 175.44 3kgz s PRO 142 N -3.49 4.51 0.77 1.29 0.04 -1.26 -5.00 135.00 131.87 3kgz s PRO 142 Ca 0.44 1.93 -0.08 0.00 0.04 0.00 0.00 61.00 63.32 3kgz s PRO 142 Cb -0.11 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.35 3kgz s PRO 142 CO 0.29 -0.01 1.09 0.95 0.04 0.00 0.00 177.00 179.37 3kgz s THR 143 N -0.66 2.17 0.25 1.26 -4.23 -1.26 -4.85 115.64 108.32 3kgz s THR 143 Ca 0.49 -0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 3kgz s THR 143 Cb -0.34 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 70.82 3kgz s THR 143 CO 0.42 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.38 3kgz h ALA 144 N -0.86 1.30 -0.55 3.99 0.00 -1.99 0.21 119.26 121.36 3kgz h ALA 144 Ca -0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3kgz h ALA 144 Cb 1.29 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3kgz h ALA 144 CO 0.53 0.43 0.08 -0.44 0.00 0.00 0.00 179.25 179.85 3kgz h ASP 145 N 1.15 0.89 0.01 0.00 3.32 -1.98 0.22 116.42 120.02 3kgz h ASP 145 Ca 0.40 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3kgz h ASP 145 Cb 0.10 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3kgz h ASP 145 CO -0.15 0.93 -0.23 0.44 -1.72 0.00 0.00 179.24 178.50 3kgz h ASP 146 N 0.81 -0.69 -0.49 6.45 3.32 -1.75 0.19 116.42 124.26 3kgz h ASP 146 Ca 0.17 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.32 3kgz h ASP 146 Cb 0.42 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3kgz h ASP 146 CO 0.01 -0.30 0.32 -0.07 -1.72 0.00 0.00 179.24 177.48 3kgz h LEU 147 N -0.37 0.54 -0.10 1.55 3.38 -0.70 0.25 115.31 119.86 3kgz h LEU 147 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3kgz h LEU 147 Cb 0.45 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3kgz h LEU 147 CO -0.21 0.39 -0.25 0.00 0.09 0.00 0.00 178.44 178.46 3kgz h ALA 148 N 1.19 -0.26 -0.76 1.53 0.00 -0.48 0.19 119.26 120.67 3kgz h ALA 148 Ca 0.18 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kgz h ALA 148 Cb -0.06 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kgz h ALA 148 CO -0.05 -0.72 0.49 1.49 0.00 0.00 0.00 179.25 180.46 3kgz h GLU 149 N -0.33 0.95 -0.51 0.00 4.57 -0.17 -2.64 114.58 116.46 3kgz h GLU 149 Ca 0.09 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 3kgz h GLU 149 Cb 0.47 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3kgz h GLU 149 CO -0.29 0.63 0.13 -0.07 -1.18 0.00 0.00 179.01 178.23 3kgz h LEU 150 N 0.98 0.77 0.00 1.64 3.38 -0.19 -3.15 115.31 118.74 3kgz h LEU 150 Ca 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kgz h LEU 150 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3kgz h LEU 150 CO -0.09 0.80 0.00 0.54 0.09 0.00 0.00 178.44 179.78 3kgz n ARG 151 N -4.45 0.14 -0.21 1.13 1.74 0.03 -2.42 116.66 112.62 3kgz n ARG 151 Ca 0.02 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.36 3kgz n ARG 151 Cb 0.22 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.58 3kgz n ARG 151 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kgz h LYS 152 N 0.00 0.59 -5.81 5.56 1.57 -1.46 -3.39 116.57 113.64 3kgz h LYS 152 Ca 0.00 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 58.15 3kgz h LYS 152 Cb 0.24 -0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.32 3kgz h LYS 152 CO 0.00 0.39 0.46 0.34 -0.57 0.00 0.00 179.45 180.08 3kgz s ASP 153 N -5.96 6.78 0.26 0.86 -1.08 -1.02 -4.95 116.67 111.56 3kgz s ASP 153 Ca -0.09 0.91 -0.05 0.00 -0.52 0.00 0.00 52.55 52.80 3kgz s ASP 153 Cb 0.21 -2.43 0.31 0.00 -1.46 0.00 0.00 42.92 39.55 3kgz s ASP 153 CO 0.78 -0.56 1.93 1.05 0.52 0.00 0.00 175.17 178.88 3kgz h GLU 154 N 7.84 1.24 -0.43 4.34 -0.00 -1.88 -0.91 114.58 124.78 3kgz h GLU 154 Ca -0.23 -0.09 -0.07 0.00 -0.00 0.00 0.00 59.36 58.97 3kgz h GLU 154 Cb 1.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 28.75 29.56 3kgz h GLU 154 CO 0.88 0.84 0.00 0.07 -0.00 0.00 0.00 179.01 180.80 3kgz h ARG 155 N 1.27 0.77 -0.55 1.06 -0.00 -1.93 -2.04 114.38 112.96 3kgz h ARG 155 Ca 0.34 -0.24 -0.09 0.00 -0.00 0.00 0.00 59.98 59.99 3kgz h ARG 155 Cb -0.11 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 29.77 3kgz h ARG 155 CO -0.07 0.84 -0.00 0.82 -0.00 0.00 0.00 179.97 181.55 3kgz h ILE 156 N 0.61 1.26 -0.82 0.08 2.04 -1.82 -2.48 117.51 116.39 3kgz h ILE 156 Ca 0.12 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 64.96 3kgz h ILE 156 Cb 0.49 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3kgz h ILE 156 CO 0.02 0.40 0.47 0.00 0.00 0.00 0.00 178.15 179.04 3kgz h ALA 157 N 0.96 1.17 -0.15 1.87 0.00 -1.00 -1.09 119.26 121.01 3kgz h ALA 157 Ca 0.15 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3kgz h ALA 157 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kgz h ALA 157 CO 0.03 0.10 -0.44 0.22 0.00 0.00 0.00 179.25 179.17 3kgz h ASP 158 N 0.80 0.38 0.08 0.00 1.82 -1.30 -3.35 116.42 114.85 3kgz h ASP 158 Ca 0.39 -0.17 -0.17 0.00 -0.39 0.00 0.00 57.03 56.70 3kgz h ASP 158 Cb 0.35 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.25 3kgz h ASP 158 CO -0.24 0.77 -0.81 0.15 -1.61 0.00 0.00 179.24 177.50 3kgz h PHE 159 N 0.29 0.32 -4.10 0.28 3.57 -0.88 -3.47 116.94 112.95 3kgz h PHE 159 Ca 0.02 -0.23 -0.54 0.00 3.53 0.00 0.00 57.97 60.75 3kgz h PHE 159 Cb 0.89 -0.01 0.14 0.00 2.79 0.00 0.00 35.95 39.75 3kgz h PHE 159 CO 0.02 1.31 0.50 0.96 -2.23 0.00 0.00 178.31 178.88 3kgz s ILE 160 N -2.38 2.30 -0.11 1.41 -4.36 -0.49 -5.03 121.20 112.55 3kgz s ILE 160 Ca -0.18 0.19 0.01 0.00 -0.26 0.00 0.00 60.65 60.41 3kgz s ILE 160 Cb 0.01 -3.08 0.02 0.00 1.25 0.00 0.00 42.46 40.67 3kgz s ILE 160 CO 0.75 -0.04 -0.12 -0.13 0.24 0.00 0.00 174.94 175.64 3kgz s ARG 161 N -3.35 1.95 0.00 0.37 1.81 -1.26 -5.01 118.95 113.46 3kgz s ARG 161 Ca 0.80 -0.44 0.25 0.00 -1.72 0.00 0.00 55.73 54.62 3kgz s ARG 161 Cb -0.34 -1.79 0.40 0.00 -0.45 0.00 0.00 34.95 32.77 3kgz s ARG 161 CO 0.37 -0.16 1.38 0.25 -0.68 0.00 0.00 175.30 176.45