#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw5 n TRP 2 N 0.00 4.19 -3.36 2.03 7.02 -1.26 -4.86 117.44 121.20 2kw5 n TRP 2 Ca 0.00 -3.08 -0.13 0.00 -1.02 0.00 0.00 57.50 53.26 2kw5 n TRP 2 Cb 0.00 -2.20 -0.08 0.00 -2.42 0.00 0.00 31.31 26.60 2kw5 n TRP 2 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2kw5 s ASP 3 N 2.43 1.03 -0.70 -0.99 -4.77 -1.26 -5.11 116.67 107.30 2kw5 s ASP 3 Ca 0.44 -0.48 -0.18 0.00 -3.30 0.00 0.00 52.55 49.02 2kw5 s ASP 3 Cb 0.03 0.79 0.13 0.00 -1.09 0.00 0.00 42.92 42.78 2kw5 s ASP 3 CO 0.01 -0.36 0.80 -1.61 0.70 0.00 0.00 175.17 174.70 2kw5 s GLU 4 N 2.45 3.25 -0.78 2.11 0.41 -1.26 -5.01 118.70 119.86 2kw5 s GLU 4 Ca 0.10 -1.60 -0.24 0.00 -0.41 0.00 0.00 54.97 52.82 2kw5 s GLU 4 Cb -0.14 -4.42 0.06 0.00 -1.78 0.00 0.00 34.13 27.85 2kw5 s GLU 4 CO -0.29 -1.55 1.19 1.03 -0.49 0.00 0.00 175.26 175.15 2kw5 s ARG 5 N 2.26 3.28 -0.35 1.61 3.00 -1.26 -4.95 118.95 122.54 2kw5 s ARG 5 Ca 0.17 -0.75 0.02 0.00 0.00 0.00 0.00 55.73 55.17 2kw5 s ARG 5 Cb -0.18 -4.48 0.11 0.00 0.00 0.00 0.00 34.95 30.40 2kw5 s ARG 5 CO 0.01 -2.01 0.10 0.12 0.00 0.00 0.00 175.30 173.51 2kw5 s PHE 6 N 4.73 2.81 -0.43 -0.53 5.36 -1.26 -5.01 117.98 123.65 2kw5 s PHE 6 Ca 0.32 -2.51 0.04 0.00 -0.96 0.00 0.00 56.93 53.83 2kw5 s PHE 6 Cb -0.09 -2.39 0.17 0.00 -0.34 0.00 0.00 43.02 40.37 2kw5 s PHE 6 CO 0.07 -0.89 0.42 0.45 -1.46 0.00 0.00 175.22 173.80 2kw5 s SER 7 N 1.03 0.82 -0.14 6.13 0.15 -1.26 -5.12 113.70 115.30 2kw5 s SER 7 Ca 0.12 -2.70 -0.24 0.00 0.70 0.00 0.00 55.95 53.83 2kw5 s SER 7 Cb -0.19 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 2kw5 s SER 7 CO -0.13 -0.15 0.74 -1.58 1.20 0.00 0.00 173.24 173.32 2kw5 s GLN 8 N 0.32 4.33 0.07 5.44 0.74 -1.26 -5.03 119.66 124.26 2kw5 s GLN 8 Ca 0.31 0.88 -0.31 0.00 0.05 0.00 0.00 55.36 56.30 2kw5 s GLN 8 Cb 0.02 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.50 2kw5 s GLN 8 CO -0.15 -0.17 1.79 -1.54 -0.55 0.00 0.00 175.29 174.67 2kw5 s SER 9 N 1.05 6.50 -0.27 6.67 1.04 -1.26 -4.91 113.70 122.52 2kw5 s SER 9 Ca 0.36 2.61 0.12 0.00 0.48 0.00 0.00 55.95 59.53 2kw5 s SER 9 Cb -0.17 -2.55 0.78 0.00 0.10 0.00 0.00 66.02 64.17 2kw5 s SER 9 CO 0.14 -0.98 1.76 -1.84 0.98 0.00 0.00 173.24 173.30 2kw5 n GLU 10 N 6.22 4.30 -1.58 4.02 -0.00 -1.26 -5.01 120.64 127.32 2kw5 n GLU 10 Ca 0.18 -3.13 -0.41 0.00 -0.00 0.00 0.00 57.16 53.80 2kw5 n GLU 10 Cb 0.40 -2.22 0.02 0.00 -0.00 0.00 0.00 31.44 29.63 2kw5 n GLU 10 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 2kw5 n TYR 11 N 0.22 0.78 -3.66 -1.84 4.11 -1.26 -5.04 117.16 110.47 2kw5 n TYR 11 Ca 0.33 0.54 -0.11 0.00 -0.00 0.00 0.00 57.90 58.66 2kw5 n TYR 11 Cb 1.26 -2.17 -0.08 0.00 -0.00 0.00 0.00 39.34 38.35 2kw5 n TYR 11 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2kw5 s VAL 12 N -1.36 -0.01 -0.33 -3.48 0.11 -1.26 -5.15 120.40 108.92 2kw5 s VAL 12 Ca 0.65 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.76 2kw5 s VAL 12 Cb -0.53 -0.85 0.09 0.00 -1.53 0.00 0.00 36.38 33.56 2kw5 s VAL 12 CO 0.55 0.01 0.03 -0.31 -3.33 0.00 0.00 175.10 172.05 2kw5 s TYR 13 N 1.01 3.68 -1.21 1.54 2.02 -1.26 -5.04 117.35 118.09 2kw5 s TYR 13 Ca -0.05 -2.91 -0.19 0.00 -0.37 0.00 0.00 57.07 53.55 2kw5 s TYR 13 Cb -0.05 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 2kw5 s TYR 13 CO -0.09 -0.94 1.96 0.41 -1.57 0.00 0.00 175.55 175.32 2kw5 n GLY 14 N 4.28 2.84 3.02 0.71 0.00 -1.26 -4.89 105.19 109.90 2kw5 n GLY 14 Ca 0.02 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 2kw5 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kw5 s THR 15 N 5.38 0.19 -0.29 2.61 -1.32 -1.26 -5.16 115.64 115.79 2kw5 s THR 15 Ca 0.55 -1.21 -0.00 0.00 -1.21 0.00 0.00 61.69 59.82 2kw5 s THR 15 Cb 0.08 -0.69 0.18 0.00 -1.51 0.00 0.00 72.50 70.57 2kw5 s THR 15 CO 0.05 -0.65 0.56 -0.70 -2.21 0.00 0.00 174.62 171.68 2kw5 s GLU 16 N -2.25 0.53 0.91 7.08 2.56 -1.26 -5.15 118.70 121.12 2kw5 s GLU 16 Ca -0.08 0.85 -0.11 0.00 0.00 0.00 0.00 54.97 55.63 2kw5 s GLU 16 Cb -0.04 0.34 0.14 0.00 2.00 0.00 0.00 34.13 36.57 2kw5 s GLU 16 CO -0.04 -0.70 1.11 -2.14 -0.56 0.00 0.00 175.26 172.93 2kw5 s PRO 17 N 2.80 1.14 0.00 4.30 0.02 -1.26 -5.01 135.00 136.99 2kw5 s PRO 17 Ca 0.18 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.46 2kw5 s PRO 17 Cb -0.14 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2kw5 s PRO 17 CO -0.21 -2.45 0.04 0.27 -0.33 0.00 0.00 177.00 174.31 2kw5 n ASN 18 N -4.08 0.07 0.00 2.53 6.94 -1.26 -4.82 115.26 114.64 2kw5 n ASN 18 Ca 0.09 -0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 2kw5 n ASN 18 Cb 0.53 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.25 2kw5 n ASN 18 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2kw5 n ASP 19 N -0.30 0.44 0.28 0.53 5.75 -1.26 -4.98 116.55 117.01 2kw5 n ASP 19 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 2kw5 n ASP 19 Cb 0.03 0.00 0.82 0.00 -1.03 0.00 0.00 41.12 40.94 2kw5 n ASP 19 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2kw5 h PHE 20 N 0.00 0.00 0.00 2.11 3.57 -2.06 -2.89 116.94 117.68 2kw5 h PHE 20 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kw5 h PHE 20 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2kw5 h PHE 20 CO 0.00 0.06 -0.00 1.25 -2.23 0.00 0.00 178.31 177.39 2kw5 h LEU 21 N 0.00 0.00 -0.96 0.59 5.85 -1.98 -3.25 115.31 115.56 2kw5 h LEU 21 Ca -0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2kw5 h LEU 21 Cb 0.17 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.06 2kw5 h LEU 21 CO 0.01 0.00 -0.46 -0.37 -0.34 0.00 0.00 178.44 177.28 2kw5 h VAL 22 N 0.00 0.01 0.02 1.05 -1.51 -1.83 -0.29 116.25 113.70 2kw5 h VAL 22 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2kw5 h VAL 22 Cb 0.01 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.18 2kw5 h VAL 22 CO 0.00 0.00 -0.01 0.77 -1.23 0.00 0.00 177.57 177.10 2kw5 h SER 23 N -0.02 -0.02 -0.49 4.19 4.64 -1.85 -3.24 113.55 116.75 2kw5 h SER 23 Ca 0.27 -0.70 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 2kw5 h SER 23 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2kw5 h SER 23 CO -0.95 0.71 -0.07 -0.37 -0.87 0.00 0.00 176.83 175.29 2kw5 h VAL 24 N -0.77 1.27 -0.69 0.95 -1.51 -1.70 -2.74 116.25 111.05 2kw5 h VAL 24 Ca -0.00 -1.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.28 2kw5 h VAL 24 Cb 0.72 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 2kw5 h VAL 24 CO 0.00 0.41 0.40 0.00 -1.23 0.00 0.00 177.57 177.16 2kw5 h ALA 25 N 0.91 1.41 0.00 5.19 0.00 -1.18 0.10 119.26 125.69 2kw5 h ALA 25 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kw5 h ALA 25 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kw5 h ALA 25 CO 0.04 0.50 -0.29 -0.97 0.00 0.00 0.00 179.25 178.53 2kw5 h ASN 26 N 0.95 0.00 0.47 0.00 -1.24 -1.53 -3.06 115.58 111.18 2kw5 h ASN 26 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 2kw5 h ASN 26 Cb -0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2kw5 h ASN 26 CO -0.04 0.29 -0.85 0.00 -1.29 0.00 0.00 177.43 175.53 2kw5 n GLN 27 N -3.72 0.20 -2.61 6.67 1.13 -0.19 -4.95 117.38 113.91 2kw5 n GLN 27 Ca -0.01 0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 2kw5 n GLN 27 Cb 0.40 -1.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 2kw5 n GLN 27 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2kw5 s ILE 28 N -3.13 4.22 0.24 5.09 1.01 0.19 -4.95 121.20 123.86 2kw5 s ILE 28 Ca 0.06 1.83 -0.31 0.00 0.00 0.00 0.00 60.65 62.23 2kw5 s ILE 28 Cb 0.15 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.33 2kw5 s ILE 28 CO 0.77 0.27 1.63 -2.65 0.00 0.00 0.00 174.94 174.97 2kw5 n PRO 29 N 2.78 2.61 0.00 2.79 -0.02 -1.26 -4.91 135.00 136.99 2kw5 n PRO 29 Ca 0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2kw5 n PRO 29 Cb 0.48 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2kw5 n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kw5 n GLN 30 N 3.03 0.71 0.00 -0.52 10.64 -1.26 -4.76 117.38 125.23 2kw5 n GLN 30 Ca 0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 2kw5 n GLN 30 Cb 0.34 -1.15 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 2kw5 n GLN 30 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kw5 n GLY 31 N 0.62 3.97 3.63 2.61 0.00 -1.26 -4.92 105.19 109.84 2kw5 n GLY 31 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2kw5 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kw5 s LYS 32 N 3.70 4.09 -0.09 1.61 -0.14 -1.26 -4.66 119.74 122.98 2kw5 s LYS 32 Ca 0.00 0.79 0.01 0.00 -1.36 0.00 0.00 55.97 55.41 2kw5 s LYS 32 Cb 0.00 -3.68 -0.02 0.00 -1.68 0.00 0.00 37.83 32.45 2kw5 s LYS 32 CO 0.00 -0.60 -0.14 0.42 -0.76 0.00 0.00 175.35 174.28 2kw5 s ILE 33 N 2.91 3.05 -0.19 2.17 1.01 -1.26 -1.14 121.20 127.76 2kw5 s ILE 33 Ca 0.34 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 2kw5 s ILE 33 Cb -0.15 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2kw5 s ILE 33 CO 0.10 0.55 0.02 -0.22 0.00 0.00 0.00 174.94 175.39 2kw5 s LEU 34 N -0.12 3.44 -0.12 2.97 2.96 -0.86 -0.59 118.68 126.36 2kw5 s LEU 34 Ca -0.01 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 2kw5 s LEU 34 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kw5 s LEU 34 CO 0.03 0.11 0.18 0.00 -1.32 0.00 0.00 176.35 175.36 2kw5 s LEU 36 N -0.68 3.14 -0.49 0.00 1.43 -0.97 -1.20 118.68 119.91 2kw5 s LEU 36 Ca 0.15 -0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 52.19 2kw5 s LEU 36 Cb -0.12 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.46 2kw5 s LEU 36 CO 0.04 -0.11 0.64 0.00 0.23 0.00 0.00 176.35 177.15 2kw5 n ALA 37 N 4.70 -2.56 -0.71 4.21 0.00 -0.51 -4.35 120.51 121.28 2kw5 n ALA 37 Ca -0.17 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2kw5 n ALA 37 Cb 0.48 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.39 2kw5 n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kw5 n GLU 38 N -0.51 0.00 0.00 0.00 0.00 -1.26 -4.73 120.64 114.14 2kw5 n GLU 38 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.24 2kw5 n GLU 38 Cb 0.61 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 31.49 2kw5 n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kw5 n GLY 39 N 2.33 -0.34 0.02 8.31 0.00 -1.26 -4.93 105.19 109.32 2kw5 n GLY 39 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 2kw5 n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kw5 n GLU 40 N 0.00 1.41 -2.06 1.61 1.02 -1.26 -4.00 120.64 117.36 2kw5 n GLU 40 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2kw5 n GLU 40 Cb 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2kw5 n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kw5 n GLY 41 N 3.07 0.72 0.22 0.62 0.00 -1.26 -4.40 105.19 104.16 2kw5 n GLY 41 Ca -0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 2kw5 n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kw5 h ARG 42 N 0.00 0.53 0.04 1.61 0.11 -1.95 -3.01 114.38 111.71 2kw5 h ARG 42 Ca 0.00 -0.26 -0.24 0.00 0.10 0.00 0.00 59.98 59.58 2kw5 h ARG 42 Cb 0.91 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 2kw5 h ARG 42 CO 0.00 0.84 -1.13 -0.91 0.10 0.00 0.00 179.97 178.87 2kw5 h ASN 43 N 0.44 0.12 -0.17 0.08 4.21 -1.98 -2.34 115.58 115.95 2kw5 h ASN 43 Ca 0.04 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.41 2kw5 h ASN 43 Cb 0.89 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 2kw5 h ASN 43 CO 0.08 1.11 0.10 0.00 -1.29 0.00 0.00 177.43 177.43 2kw5 h ALA 44 N 0.87 0.21 -0.71 -0.83 0.00 -1.96 0.22 119.26 117.07 2kw5 h ALA 44 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kw5 h ALA 44 Cb 1.85 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 2kw5 h ALA 44 CO 0.15 -0.27 0.45 0.00 0.00 0.00 0.00 179.25 179.57 2kw5 h PHE 46 N 0.87 0.18 -0.52 0.00 3.04 -1.01 -0.80 116.94 118.70 2kw5 h PHE 46 Ca 0.29 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 2kw5 h PHE 46 Cb 0.02 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 2kw5 h PHE 46 CO -0.04 0.63 0.10 -0.07 -2.02 0.00 0.00 178.31 176.90 2kw5 h LEU 47 N 0.11 0.77 -0.73 0.59 3.38 -0.90 -2.04 115.31 116.49 2kw5 h LEU 47 Ca 0.00 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 2kw5 h LEU 47 Cb 0.94 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2kw5 h LEU 47 CO 0.07 0.78 -0.46 0.00 0.09 0.00 0.00 178.44 178.92 2kw5 h ALA 48 N 1.32 0.91 0.00 1.53 0.00 -1.29 -2.94 119.26 118.79 2kw5 h ALA 48 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kw5 h ALA 48 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kw5 h ALA 48 CO 0.00 0.65 0.00 0.77 0.00 0.00 0.00 179.25 180.67 2kw5 h SER 49 N 0.32 0.00 0.00 0.00 0.02 -0.49 -0.89 113.55 112.51 2kw5 h SER 49 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kw5 h SER 49 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2kw5 h SER 49 CO 0.08 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.95 2kw5 n LEU 50 N -2.42 0.00 0.00 5.07 4.77 -0.85 -4.85 117.00 118.72 2kw5 n LEU 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kw5 n LEU 50 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2kw5 n LEU 50 CO 0.17 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2kw5 n GLY 51 N 0.50 0.81 3.78 -0.72 0.00 -0.38 -4.93 105.19 104.25 2kw5 n GLY 51 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2kw5 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kw5 s TYR 52 N -2.09 3.16 -0.86 1.61 2.02 -0.96 -5.06 117.35 115.17 2kw5 s TYR 52 Ca 0.00 0.03 -0.16 0.00 -0.37 0.00 0.00 57.07 56.56 2kw5 s TYR 52 Cb 0.00 -1.57 0.17 0.00 -0.40 0.00 0.00 41.96 40.16 2kw5 s TYR 52 CO 0.00 0.52 0.92 -1.21 -1.57 0.00 0.00 175.55 174.21 2kw5 s GLU 53 N -2.73 3.56 -0.28 -0.62 2.02 -1.26 -4.23 118.70 115.15 2kw5 s GLU 53 Ca 0.30 -2.06 -0.21 0.00 0.02 0.00 0.00 54.97 53.01 2kw5 s GLU 53 Cb -0.11 -4.64 -0.01 0.00 0.10 0.00 0.00 34.13 29.47 2kw5 s GLU 53 CO 0.23 -1.53 0.68 0.08 0.02 0.00 0.00 175.26 174.74 2kw5 s VAL 54 N 1.49 4.91 -0.39 2.63 1.01 -1.25 -4.08 120.40 124.71 2kw5 s VAL 54 Ca 0.24 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 2kw5 s VAL 54 Cb -0.09 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.29 2kw5 s VAL 54 CO -0.08 -0.10 0.86 0.42 0.00 0.00 0.00 175.10 176.19 2kw5 s THR 55 N 2.67 4.63 -0.20 3.92 -4.23 0.24 -1.69 115.64 120.97 2kw5 s THR 55 Ca 0.28 0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 61.65 2kw5 s THR 55 Cb -0.15 -4.31 -0.01 0.00 1.34 0.00 0.00 72.50 69.38 2kw5 s THR 55 CO 0.10 -0.58 -0.06 0.00 -0.54 0.00 0.00 174.62 173.54 2kw5 s ALA 56 N 3.37 2.78 -0.03 3.99 0.00 -0.18 -0.96 121.76 130.74 2kw5 s ALA 56 Ca 0.34 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 2kw5 s ALA 56 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2kw5 s ALA 56 CO 0.20 -0.27 0.20 0.08 0.00 0.00 0.00 175.76 175.97 2kw5 s VAL 57 N 1.21 5.41 0.46 0.00 1.01 -0.34 -1.28 120.40 126.87 2kw5 s VAL 57 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2kw5 s VAL 57 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2kw5 s VAL 57 CO -0.02 0.41 0.06 -0.62 0.00 0.00 0.00 175.10 174.94 2kw5 s ASP 58 N -1.65 3.50 0.08 3.32 2.15 -1.26 -1.43 116.67 121.39 2kw5 s ASP 58 Ca 0.24 -1.66 0.14 0.00 0.43 0.00 0.00 52.55 51.70 2kw5 s ASP 58 Cb -0.13 0.51 -0.13 0.00 -0.30 0.00 0.00 42.92 42.87 2kw5 s ASP 58 CO 0.14 -0.89 0.95 0.06 -0.17 0.00 0.00 175.17 175.26 2kw5 h GLN 59 N 1.56 0.00 -6.08 4.34 3.07 -1.92 -3.35 115.11 112.73 2kw5 h GLN 59 Ca -0.40 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.65 2kw5 h GLN 59 Cb 1.29 0.00 -0.31 0.00 0.08 0.00 0.00 27.48 28.55 2kw5 h GLN 59 CO 0.66 0.45 -0.87 -1.12 0.09 0.00 0.00 178.83 178.03 2kw5 s SER 60 N -6.07 3.16 0.51 0.06 0.01 -1.26 -4.85 113.70 105.26 2kw5 s SER 60 Ca -0.02 -0.48 0.30 0.00 1.31 0.00 0.00 55.95 57.06 2kw5 s SER 60 Cb 0.08 -0.81 1.31 0.00 0.21 0.00 0.00 66.02 66.82 2kw5 s SER 60 CO 0.80 0.26 1.98 -1.28 0.41 0.00 0.00 173.24 175.41 2kw5 h SER 61 N 5.97 0.00 -0.17 2.44 0.87 -1.95 -2.37 113.55 118.34 2kw5 h SER 61 Ca -0.34 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 2kw5 h SER 61 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2kw5 h SER 61 CO 0.48 0.11 -0.07 -0.37 -0.53 0.00 0.00 176.83 176.44 2kw5 h VAL 62 N 0.00 1.21 -0.25 2.23 -1.51 -1.95 -0.50 116.25 115.49 2kw5 h VAL 62 Ca -0.00 -0.91 -0.14 0.00 -1.23 0.00 0.00 66.70 64.42 2kw5 h VAL 62 Cb 0.52 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 2kw5 h VAL 62 CO 0.01 0.30 -0.43 1.23 -1.23 0.00 0.00 177.57 177.45 2kw5 h GLY 63 N 0.88 0.66 0.95 5.19 0.00 -1.56 -1.85 103.07 107.34 2kw5 h GLY 63 Ca 0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 2kw5 h GLY 63 CO 0.02 0.62 -0.15 1.41 0.00 0.00 0.00 176.54 178.44 2kw5 h LEU 64 N 0.49 0.71 -1.06 3.11 3.38 -1.46 -2.03 115.31 118.46 2kw5 h LEU 64 Ca 0.04 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2kw5 h LEU 64 Cb 0.96 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2kw5 h LEU 64 CO 0.09 0.96 0.32 0.00 0.09 0.00 0.00 178.44 179.89 2kw5 h ALA 65 N 0.78 1.26 -0.41 1.53 0.00 -1.05 -1.95 119.26 119.42 2kw5 h ALA 65 Ca 0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2kw5 h ALA 65 Cb 0.68 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kw5 h ALA 65 CO 0.05 0.56 -0.14 0.87 0.00 0.00 0.00 179.25 180.59 2kw5 h LYS 66 N 0.98 0.75 -0.16 0.00 1.79 -1.26 -1.64 116.57 117.04 2kw5 h LYS 66 Ca 0.24 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2kw5 h LYS 66 Cb 0.12 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2kw5 h LYS 66 CO -0.03 0.86 0.10 0.00 -1.08 0.00 0.00 179.45 179.30 2kw5 h ALA 67 N 1.16 0.20 -0.25 3.86 0.00 -0.98 -1.68 119.26 121.57 2kw5 h ALA 67 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kw5 h ALA 67 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kw5 h ALA 67 CO 0.04 -0.32 -0.13 -0.22 0.00 0.00 0.00 179.25 178.62 2kw5 h LYS 68 N 0.20 0.52 0.08 0.00 3.64 -1.28 -1.58 116.57 118.16 2kw5 h LYS 68 Ca 0.06 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2kw5 h LYS 68 Cb -0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2kw5 h LYS 68 CO -0.02 0.79 -0.04 0.37 -2.27 0.00 0.00 179.45 178.27 2kw5 h GLN 69 N 0.24 -0.11 0.00 1.90 4.15 -1.32 -2.11 115.11 117.87 2kw5 h GLN 69 Ca 0.05 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 2kw5 h GLN 69 Cb 0.63 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 2kw5 h GLN 69 CO 0.04 -0.03 -0.18 1.25 -1.93 0.00 0.00 178.83 177.98 2kw5 h LEU 70 N -0.16 0.00 0.08 -2.39 5.85 -1.32 -2.37 115.31 115.00 2kw5 h LEU 70 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kw5 h LEU 70 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2kw5 h LEU 70 CO 0.02 0.18 -0.04 0.00 -0.34 0.00 0.00 178.44 178.26 2kw5 h ALA 71 N 1.82 -0.10 -0.53 1.25 0.00 -1.10 -3.03 119.26 117.56 2kw5 h ALA 71 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2kw5 h ALA 71 Cb 0.62 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2kw5 h ALA 71 CO 0.02 -0.35 0.22 0.37 0.00 0.00 0.00 179.25 179.52 2kw5 h GLN 72 N -0.52 0.76 0.40 0.00 4.15 -1.09 -0.85 115.11 117.96 2kw5 h GLN 72 Ca -0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 2kw5 h GLN 72 Cb 0.44 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 2kw5 h GLN 72 CO 0.02 0.62 -0.23 1.49 -1.93 0.00 0.00 178.83 178.79 2kw5 h GLU 73 N 0.76 -0.57 -0.00 1.69 4.81 -1.51 -3.21 114.58 116.54 2kw5 h GLU 73 Ca 0.18 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2kw5 h GLU 73 Cb 0.13 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2kw5 h GLU 73 CO -0.02 -0.38 -0.17 1.17 -0.73 0.00 0.00 179.01 178.88 2kw5 n LYS 74 N -5.36 0.48 -2.87 1.92 4.81 -1.02 -4.93 118.16 111.19 2kw5 n LYS 74 Ca -0.11 -0.18 -0.09 0.00 -0.87 0.00 0.00 58.31 57.06 2kw5 n LYS 74 Cb 0.27 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.85 2kw5 n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kw5 n GLY 75 N 1.35 0.34 3.42 3.14 0.00 -0.43 -5.07 105.19 107.95 2kw5 n GLY 75 Ca 0.12 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2kw5 n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kw5 s VAL 76 N -3.07 1.33 -0.08 1.61 -7.23 -0.56 -5.05 120.40 107.36 2kw5 s VAL 76 Ca 0.21 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2kw5 s VAL 76 Cb -0.09 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2kw5 s VAL 76 CO 0.26 -0.16 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.97 2kw5 s LYS 77 N -3.83 2.80 0.39 4.82 2.20 -1.26 -4.13 119.74 120.74 2kw5 s LYS 77 Ca 0.33 -0.75 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 2kw5 s LYS 77 Cb 0.07 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2kw5 s LYS 77 CO 0.13 0.42 0.22 0.42 -0.36 0.00 0.00 175.35 176.18 2kw5 s ILE 78 N -0.22 2.62 -0.25 5.43 -1.09 -1.26 -3.76 121.20 122.67 2kw5 s ILE 78 Ca -0.00 -1.61 -0.02 0.00 -2.23 0.00 0.00 60.65 56.80 2kw5 s ILE 78 Cb -0.13 -3.00 0.08 0.00 -1.58 0.00 0.00 42.46 37.83 2kw5 s ILE 78 CO 0.03 -0.06 0.06 -0.89 -1.23 0.00 0.00 174.94 172.85 2kw5 s THR 79 N -2.51 0.73 -0.23 2.92 2.01 -0.68 -4.91 115.64 112.96 2kw5 s THR 79 Ca 0.42 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 61.24 2kw5 s THR 79 Cb 0.00 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2kw5 s THR 79 CO 0.24 -0.41 0.68 0.42 -0.69 0.00 0.00 174.62 174.86 2kw5 s THR 80 N 1.73 4.96 -0.12 -0.82 -4.23 -1.26 -1.01 115.64 114.89 2kw5 s THR 80 Ca 0.03 1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 61.75 2kw5 s THR 80 Cb -0.17 -3.99 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 2kw5 s THR 80 CO -0.16 0.03 0.08 -0.69 -0.54 0.00 0.00 174.62 173.34 2kw5 s VAL 81 N 2.39 4.95 0.16 2.29 1.01 -0.40 -4.96 120.40 125.83 2kw5 s VAL 81 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2kw5 s VAL 81 Cb -0.16 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2kw5 s VAL 81 CO 0.09 0.58 1.04 0.00 0.00 0.00 0.00 175.10 176.81 2kw5 s GLN 82 N -0.64 4.64 -0.93 2.72 -2.07 -1.26 -4.10 119.66 118.02 2kw5 s GLN 82 Ca 0.12 1.61 -0.23 0.00 -1.82 0.00 0.00 55.36 55.04 2kw5 s GLN 82 Cb -0.12 -3.31 -0.24 0.00 -1.09 0.00 0.00 33.01 28.25 2kw5 s GLN 82 CO 0.02 0.14 2.47 0.43 -1.32 0.00 0.00 175.29 177.04 2kw5 n SER 83 N 2.50 0.05 -3.43 12.60 7.64 -1.26 -4.86 113.62 126.86 2kw5 n SER 83 Ca 0.02 -0.26 -0.20 0.00 1.01 0.00 0.00 58.87 59.44 2kw5 n SER 83 Cb 0.47 -0.92 -0.11 0.00 -1.01 0.00 0.00 64.21 62.65 2kw5 n SER 83 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2kw5 s ASN 84 N 6.57 2.06 0.00 6.43 3.84 -1.26 -4.99 114.94 127.59 2kw5 s ASN 84 Ca 1.27 -1.13 0.19 0.00 0.21 0.00 0.00 52.86 53.41 2kw5 s ASN 84 Cb -0.93 0.27 -0.15 0.00 -0.55 0.00 0.00 41.25 39.89 2kw5 s ASN 84 CO 0.46 -0.37 0.86 0.18 -2.79 0.00 0.00 177.10 175.44 2kw5 n LEU 85 N 5.00 1.16 0.13 3.21 4.77 -1.23 -3.62 117.00 126.43 2kw5 n LEU 85 Ca 0.01 -0.57 0.12 0.00 -0.03 0.00 0.00 56.01 55.54 2kw5 n LEU 85 Cb 0.44 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.76 2kw5 n LEU 85 CO 0.04 0.26 0.63 0.00 -1.33 0.00 0.00 177.39 176.99 2kw5 h ALA 86 N 2.90 0.85 0.00 -1.18 0.00 -2.00 -3.38 119.26 116.45 2kw5 h ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kw5 h ALA 86 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kw5 h ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 2kw5 n ASP 87 N -2.58 0.09 -3.64 0.00 2.03 -1.26 -5.09 116.55 106.10 2kw5 n ASP 87 Ca 0.04 -0.70 -0.15 0.00 0.52 0.00 0.00 54.79 54.50 2kw5 n ASP 87 Cb 0.48 0.04 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 2kw5 n ASP 87 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kw5 s PHE 88 N -0.04 -0.59 0.00 -0.67 5.36 -1.24 -5.10 117.98 115.70 2kw5 s PHE 88 Ca 0.00 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 2kw5 s PHE 88 Cb 0.00 0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2kw5 s PHE 88 CO 0.00 -0.40 0.00 -0.40 -1.46 0.00 0.00 175.22 172.96 2kw5 n ASP 89 N 2.09 0.00 -3.71 6.13 5.75 -1.26 -3.58 116.55 121.96 2kw5 n ASP 89 Ca -0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.46 2kw5 n ASP 89 Cb 0.56 0.26 -0.15 0.00 -1.03 0.00 0.00 41.12 40.76 2kw5 n ASP 89 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2kw5 s ILE 90 N -0.97 -0.13 -0.50 2.12 -4.36 -1.26 -4.94 121.20 111.17 2kw5 s ILE 90 Ca 0.00 0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.69 2kw5 s ILE 90 Cb 0.00 -0.23 0.15 0.00 1.25 0.00 0.00 42.46 43.63 2kw5 s ILE 90 CO 0.00 0.11 0.34 -0.69 0.24 0.00 0.00 174.94 174.94 2kw5 s VAL 91 N 1.65 1.44 -2.00 8.37 1.01 -1.26 -4.87 120.40 124.73 2kw5 s VAL 91 Ca -0.04 -3.02 0.20 0.00 0.00 0.00 0.00 61.98 59.12 2kw5 s VAL 91 Cb -0.12 -1.98 0.56 0.00 0.00 0.00 0.00 36.38 34.84 2kw5 s VAL 91 CO -0.05 -1.03 1.56 0.00 0.00 0.00 0.00 175.10 175.58 2kw5 n ALA 92 N 2.93 2.24 0.02 5.51 0.00 -1.26 -1.57 120.51 128.38 2kw5 n ALA 92 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kw5 n ALA 92 Cb 0.39 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.84 2kw5 n ALA 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kw5 h ASP 93 N 0.00 0.45 0.69 0.00 3.32 -1.94 -3.04 116.42 115.90 2kw5 h ASP 93 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2kw5 h ASP 93 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2kw5 h ASP 93 CO 0.00 0.53 -1.19 0.00 -1.72 0.00 0.00 179.24 176.86 2kw5 n ALA 94 N -2.48 2.75 -2.81 3.45 0.00 -0.60 -4.96 120.51 115.86 2kw5 n ALA 94 Ca 0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.81 2kw5 n ALA 94 Cb 0.24 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 2kw5 n ALA 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2kw5 s TRP 95 N -3.36 2.52 0.20 0.00 0.23 -1.15 -4.99 118.94 112.40 2kw5 s TRP 95 Ca -0.01 -0.70 0.13 0.00 -2.03 0.00 0.00 56.10 53.49 2kw5 s TRP 95 Cb 0.11 -1.64 0.37 0.00 0.03 0.00 0.00 33.47 32.34 2kw5 s TRP 95 CO 0.81 -0.20 1.60 0.93 0.96 0.00 0.00 176.95 181.05 2kw5 h GLU 96 N 6.14 0.00 -3.88 4.98 4.39 -1.37 -3.43 114.58 121.41 2kw5 h GLU 96 Ca -0.31 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 2kw5 h GLU 96 Cb 1.19 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.71 2kw5 h GLU 96 CO 0.48 0.58 -0.35 0.20 -1.16 0.00 0.00 179.01 178.77 2kw5 s GLY 97 N -4.46 0.38 0.09 -3.84 0.00 -0.49 -4.76 107.32 94.24 2kw5 s GLY 97 Ca -0.00 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.92 2kw5 s GLY 97 CO 0.75 -0.85 -0.09 -0.42 0.00 0.00 0.00 173.10 172.49 2kw5 s ILE 98 N -3.94 0.85 -0.06 0.90 1.01 -1.16 -2.02 121.20 116.78 2kw5 s ILE 98 Ca 0.14 -1.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.07 2kw5 s ILE 98 Cb 0.04 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.20 2kw5 s ILE 98 CO -0.03 -0.60 0.21 0.54 0.00 0.00 0.00 174.94 175.06 2kw5 s VAL 99 N -2.54 0.02 -0.25 2.92 0.11 0.21 -1.04 120.40 119.83 2kw5 s VAL 99 Ca 0.05 -0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2kw5 s VAL 99 Cb -0.02 -0.37 0.10 0.00 -1.53 0.00 0.00 36.38 34.57 2kw5 s VAL 99 CO -0.01 -0.10 0.20 -0.55 -3.33 0.00 0.00 175.10 171.31 2kw5 s SER 100 N -0.31 2.23 0.39 3.54 0.15 -0.99 -2.29 113.70 116.41 2kw5 s SER 100 Ca -0.04 -0.75 -0.24 0.00 0.70 0.00 0.00 55.95 55.62 2kw5 s SER 100 Cb -0.03 0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 64.32 2kw5 s SER 100 CO 0.01 -0.38 1.05 -0.63 1.20 0.00 0.00 173.24 174.49 2kw5 s ILE 101 N 2.25 3.73 0.00 6.45 -1.09 -1.26 -1.36 121.20 129.91 2kw5 s ILE 101 Ca 0.08 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 2kw5 s ILE 101 Cb -0.15 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2kw5 s ILE 101 CO -0.26 0.02 0.00 0.49 -1.23 0.00 0.00 174.94 173.97 2kw5 n PHE 102 N -0.01 0.00 -4.41 3.97 3.72 -0.04 -4.70 117.46 116.00 2kw5 n PHE 102 Ca 0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.16 2kw5 n PHE 102 Cb 0.49 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.90 2kw5 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kw5 s HIS 104 N -1.05 -0.25 0.04 0.00 5.04 -1.26 -4.97 115.29 112.84 2kw5 s HIS 104 Ca 0.14 -0.28 -0.04 0.00 -1.54 0.00 0.00 55.06 53.35 2kw5 s HIS 104 Cb -0.10 -0.55 -0.05 0.00 0.04 0.00 0.00 32.58 31.92 2kw5 s HIS 104 CO 0.06 -0.85 0.26 -0.51 -2.34 0.00 0.00 174.74 171.36 2kw5 s LEU 105 N 2.29 4.35 0.74 8.88 1.43 -1.26 -5.12 118.68 129.99 2kw5 s LEU 105 Ca 0.09 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 2kw5 s LEU 105 Cb -0.15 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.24 2kw5 s LEU 105 CO -0.31 0.19 1.08 -2.16 0.23 0.00 0.00 176.35 175.38 2kw5 s PRO 106 N -2.17 2.58 0.36 1.29 0.04 -1.26 -4.54 135.00 131.31 2kw5 s PRO 106 Ca 0.32 0.80 0.22 0.00 0.04 0.00 0.00 61.00 62.38 2kw5 s PRO 106 Cb -0.13 -1.96 1.31 0.00 0.04 0.00 0.00 34.50 33.76 2kw5 s PRO 106 CO 0.21 -1.31 1.51 0.45 0.04 0.00 0.00 177.00 177.90 2kw5 n SER 107 N -3.25 0.32 0.15 6.66 2.88 -1.26 -0.56 113.62 118.55 2kw5 n SER 107 Ca 0.07 1.55 -0.14 0.00 -1.33 0.00 0.00 58.87 59.03 2kw5 n SER 107 Cb 0.55 -0.76 -0.08 0.00 -0.75 0.00 0.00 64.21 63.17 2kw5 n SER 107 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2kw5 h SER 108 N 0.00 -0.29 1.44 -3.46 0.02 -1.99 -2.52 113.55 106.74 2kw5 h SER 108 Ca 0.82 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.59 2kw5 h SER 108 Cb 2.24 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.85 2kw5 h SER 108 CO -0.69 -0.04 -0.58 -0.07 -1.14 0.00 0.00 176.83 174.30 2kw5 h LEU 109 N -0.55 0.00 0.06 5.07 3.38 -1.38 -2.93 115.31 118.96 2kw5 h LEU 109 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kw5 h LEU 109 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kw5 h LEU 109 CO 0.06 0.22 -0.03 -0.09 0.09 0.00 0.00 178.44 178.69 2kw5 h ARG 110 N 0.00 -0.07 0.00 1.13 2.43 -0.89 -0.88 114.38 116.09 2kw5 h ARG 110 Ca -0.02 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2kw5 h ARG 110 Cb 1.19 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2kw5 h ARG 110 CO 0.02 0.37 -0.01 1.96 -1.51 0.00 0.00 179.97 180.81 2kw5 h GLN 111 N -0.97 0.00 0.04 0.20 4.20 -1.60 -1.91 115.11 115.07 2kw5 h GLN 111 Ca -0.01 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 2kw5 h GLN 111 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2kw5 h GLN 111 CO 0.01 0.01 -1.02 0.37 -0.67 0.00 0.00 178.83 177.53 2kw5 h GLN 112 N 0.00 0.25 0.03 1.46 5.75 -1.46 -3.39 115.11 117.75 2kw5 h GLN 112 Ca -0.00 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.18 2kw5 h GLN 112 Cb 0.05 0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.71 2kw5 h GLN 112 CO 0.00 1.07 -0.01 1.25 -2.65 0.00 0.00 178.83 178.49 2kw5 h LEU 113 N 0.11 -0.03 -0.03 -2.39 5.85 -0.40 -3.38 115.31 115.04 2kw5 h LEU 113 Ca -0.08 -0.65 0.03 0.00 0.84 0.00 0.00 57.88 58.02 2kw5 h LEU 113 Cb 1.69 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 2kw5 h LEU 113 CO 0.16 0.75 -0.14 1.88 -0.34 0.00 0.00 178.44 180.75 2kw5 h TYR 114 N -0.93 -0.35 -0.06 1.25 0.05 -1.60 -0.65 116.97 114.68 2kw5 h TYR 114 Ca -0.00 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.81 2kw5 h TYR 114 Cb 0.68 0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.58 2kw5 h TYR 114 CO 0.18 -0.21 0.10 -1.35 -1.05 0.00 0.00 178.16 175.83 2kw5 h PRO 115 N -0.22 0.00 0.00 4.88 0.11 -1.78 -0.70 132.00 134.29 2kw5 h PRO 115 Ca 0.06 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 2kw5 h PRO 115 Cb 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2kw5 h PRO 115 CO -0.16 0.00 -1.13 -0.22 -0.21 0.00 0.00 178.00 176.28 2kw5 h LYS 116 N 0.00 0.00 0.19 1.05 3.11 -1.35 -2.95 116.57 116.62 2kw5 h LYS 116 Ca 0.03 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.55 2kw5 h LYS 116 Cb 0.22 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.47 2kw5 h LYS 116 CO -0.00 0.36 -1.43 0.28 -2.81 0.00 0.00 179.45 175.85 2kw5 h VAL 117 N 0.00 1.32 0.75 2.00 2.07 0.21 0.91 116.25 123.51 2kw5 h VAL 117 Ca -0.11 -2.83 -0.04 0.00 0.82 0.00 0.00 66.70 64.55 2kw5 h VAL 117 Cb 1.52 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 2kw5 h VAL 117 CO 0.05 0.85 -0.39 0.22 0.02 0.00 0.00 177.57 178.32 2kw5 h TYR 118 N 0.11 -1.02 -0.05 1.57 3.20 -1.37 -2.51 116.97 116.89 2kw5 h TYR 118 Ca -0.22 -0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.42 2kw5 h TYR 118 Cb 2.08 0.34 0.00 0.00 1.54 0.00 0.00 36.73 40.70 2kw5 h TYR 118 CO 0.10 -0.61 -0.85 1.96 -1.64 0.00 0.00 178.16 177.11 2kw5 h GLN 119 N -1.05 0.50 0.04 1.82 4.20 -1.67 -3.40 115.11 115.56 2kw5 h GLN 119 Ca -0.10 -0.47 -0.33 0.00 0.06 0.00 0.00 58.65 57.80 2kw5 h GLN 119 Cb 0.81 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 2kw5 h GLN 119 CO 0.15 1.11 -1.96 0.41 -0.67 0.00 0.00 178.83 177.87 2kw5 n GLY 120 N 0.78 -0.80 3.57 3.46 0.00 0.31 -4.76 105.19 107.75 2kw5 n GLY 120 Ca -0.06 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2kw5 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kw5 s LEU 121 N -6.36 3.39 0.34 0.99 2.96 -0.95 -4.11 118.68 114.95 2kw5 s LEU 121 Ca -0.14 0.73 -0.28 0.00 -0.22 0.00 0.00 54.13 54.23 2kw5 s LEU 121 Cb 0.07 -2.96 -0.10 0.00 0.50 0.00 0.00 46.19 43.71 2kw5 s LEU 121 CO 0.79 -2.07 1.21 -0.54 -1.32 0.00 0.00 176.35 174.41 2kw5 s LYS 122 N 6.40 4.35 -0.07 1.98 1.02 -1.26 -4.91 119.74 127.25 2kw5 s LYS 122 Ca 0.72 1.99 -0.38 0.00 0.02 0.00 0.00 55.97 58.31 2kw5 s LYS 122 Cb -0.16 -2.99 -0.16 0.00 -0.52 0.00 0.00 37.83 34.00 2kw5 s LYS 122 CO 0.26 -0.11 1.53 -2.30 -0.92 0.00 0.00 175.35 173.82 2kw5 n PRO 123 N 0.70 1.20 0.00 -1.68 -0.02 -1.26 -3.41 135.00 130.53 2kw5 n PRO 123 Ca 0.01 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2kw5 n PRO 123 Cb 0.44 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2kw5 n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kw5 n GLY 124 N 3.31 0.31 3.84 -1.23 0.00 -1.26 -4.85 105.19 105.32 2kw5 n GLY 124 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2kw5 n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kw5 s GLY 125 N -0.27 2.39 -0.16 -0.02 0.00 -1.22 -2.97 107.32 105.08 2kw5 s GLY 125 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 2kw5 s GLY 125 CO 0.00 0.03 -0.03 -1.34 0.00 0.00 0.00 173.10 171.76 2kw5 s VAL 126 N -1.02 3.98 -0.34 1.40 -7.23 -0.21 -4.33 120.40 112.65 2kw5 s VAL 126 Ca 0.21 -0.33 -0.07 0.00 -1.81 0.00 0.00 61.98 59.98 2kw5 s VAL 126 Cb -0.15 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.07 2kw5 s VAL 126 CO 0.11 0.49 0.12 0.12 -0.31 0.00 0.00 175.10 175.63 2kw5 s PHE 127 N 0.38 3.23 -0.40 2.82 5.36 -1.17 -2.35 117.98 125.85 2kw5 s PHE 127 Ca -0.03 -1.24 -0.09 0.00 -0.96 0.00 0.00 56.93 54.61 2kw5 s PHE 127 Cb -0.14 -2.31 0.06 0.00 -0.34 0.00 0.00 43.02 40.30 2kw5 s PHE 127 CO 0.03 -0.68 0.22 0.42 -1.46 0.00 0.00 175.22 173.75 2kw5 s ILE 128 N 1.45 4.22 0.11 3.12 1.01 -0.47 -2.10 121.20 128.54 2kw5 s ILE 128 Ca -0.00 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.46 2kw5 s ILE 128 Cb -0.19 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2kw5 s ILE 128 CO 0.04 -0.40 -0.15 -0.76 0.00 0.00 0.00 174.94 173.67 2kw5 s LEU 129 N 1.44 2.38 -0.22 2.97 1.43 -0.74 -0.86 118.68 125.08 2kw5 s LEU 129 Ca 0.02 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 2kw5 s LEU 129 Cb -0.22 -0.57 0.09 0.00 0.03 0.00 0.00 46.19 45.52 2kw5 s LEU 129 CO 0.03 -0.12 0.15 -0.70 0.23 0.00 0.00 176.35 175.95 2kw5 s GLU 130 N -2.49 0.15 0.19 1.70 2.12 -1.26 -0.81 118.70 118.31 2kw5 s GLU 130 Ca 0.07 -0.11 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2kw5 s GLU 130 Cb -0.06 -1.40 -0.08 0.00 0.26 0.00 0.00 34.13 32.85 2kw5 s GLU 130 CO 0.03 -0.78 1.26 0.20 -0.54 0.00 0.00 175.26 175.43 2kw5 s GLY 131 N 2.20 2.55 0.44 -1.50 0.00 -0.42 -4.92 107.32 105.68 2kw5 s GLY 131 Ca 0.06 1.04 -0.03 0.00 0.00 0.00 0.00 44.72 45.79 2kw5 s GLY 131 CO -0.19 1.98 0.71 -1.36 0.00 0.00 0.00 173.10 174.24 2kw5 s PHE 132 N 0.04 3.54 0.58 1.90 0.08 -1.26 -2.32 117.98 120.55 2kw5 s PHE 132 Ca 0.55 0.66 -0.17 0.00 0.12 0.00 0.00 56.93 58.08 2kw5 s PHE 132 Cb -0.35 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 2kw5 s PHE 132 CO 0.38 -0.15 1.10 0.00 -0.10 0.00 0.00 175.22 176.45 2kw5 s ALA 133 N -2.60 2.64 0.06 5.36 0.00 -1.19 -4.89 121.76 121.15 2kw5 s ALA 133 Ca 0.45 0.64 0.31 0.00 0.00 0.00 0.00 51.96 53.37 2kw5 s ALA 133 Cb -0.10 -3.32 1.55 0.00 0.00 0.00 0.00 23.12 21.26 2kw5 s ALA 133 CO 0.42 -0.90 1.95 -1.00 0.00 0.00 0.00 175.76 176.23 2kw5 h PRO 134 N 0.73 0.00 0.00 0.00 0.13 -1.94 -1.03 132.00 129.89 2kw5 h PRO 134 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2kw5 h PRO 134 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kw5 h PRO 134 CO 0.56 0.00 -0.36 0.93 -0.23 0.00 0.00 178.00 178.90 2kw5 h GLU 135 N 0.00 0.00 0.68 0.86 3.07 -1.92 -3.34 114.58 113.94 2kw5 h GLU 135 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2kw5 h GLU 135 Cb 0.18 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2kw5 h GLU 135 CO 0.00 0.36 -0.33 0.37 -1.40 0.00 0.00 179.01 178.01 2kw5 h GLN 136 N 0.00 -0.88 0.00 2.33 5.75 -1.54 -2.18 115.11 118.59 2kw5 h GLN 136 Ca -0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2kw5 h GLN 136 Cb 0.97 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2kw5 h GLN 136 CO 0.05 -0.59 0.00 -0.07 -2.65 0.00 0.00 178.83 175.57 2kw5 h LEU 137 N -1.09 0.00 -1.45 -2.39 3.38 -1.79 -3.09 115.31 108.88 2kw5 h LEU 137 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kw5 h LEU 137 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2kw5 h LEU 137 CO 0.15 0.00 0.32 -0.61 0.09 0.00 0.00 178.44 178.39 2kw5 h GLN 138 N 0.00 0.69 -0.40 1.13 4.15 -1.63 -2.06 115.11 116.98 2kw5 h GLN 138 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2kw5 h GLN 138 Cb 0.79 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2kw5 h GLN 138 CO 0.00 0.48 0.00 0.66 -1.93 0.00 0.00 178.83 178.04 2kw5 n TYR 139 N -4.44 0.00 -2.86 3.99 4.02 -0.84 -4.83 117.16 112.20 2kw5 n TYR 139 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.77 2kw5 n TYR 139 Cb 0.07 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.38 2kw5 n TYR 139 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2kw5 n ASN 140 N -0.14 -4.89 0.14 7.72 3.02 -0.78 -4.92 115.26 115.42 2kw5 n ASN 140 Ca 0.00 -0.23 0.04 0.00 -0.03 0.00 0.00 54.58 54.36 2kw5 n ASN 140 Cb 0.10 -3.71 0.04 0.00 -0.61 0.00 0.00 39.78 35.59 2kw5 n ASN 140 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2kw5 h THR 141 N -1.12 0.75 -4.55 3.41 1.35 -1.75 -3.49 112.91 107.51 2kw5 h THR 141 Ca -0.39 -2.07 -0.09 0.00 -0.55 0.00 0.00 66.41 63.32 2kw5 h THR 141 Cb 1.26 2.36 0.07 0.00 -1.73 0.00 0.00 68.15 70.12 2kw5 h THR 141 CO 0.41 0.43 -0.31 0.61 -0.25 0.00 0.00 175.52 176.41 2kw5 n GLY 142 N 1.22 -0.63 0.00 5.82 0.00 -1.26 -5.06 105.19 105.27 2kw5 n GLY 142 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2kw5 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kw5 n GLY 143 N -1.40 -2.48 0.32 -0.02 0.00 -1.26 -4.88 105.19 95.47 2kw5 n GLY 143 Ca -0.03 -1.34 0.16 0.00 0.00 0.00 0.00 46.02 44.82 2kw5 n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kw5 h PRO 144 N 0.00 0.00 0.00 1.61 0.13 -1.97 -3.41 132.00 128.36 2kw5 h PRO 144 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kw5 h PRO 144 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kw5 h PRO 144 CO 0.00 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 178.94 2kw5 n LYS 145 N -3.83 0.00 -3.60 0.86 4.81 -1.26 -5.13 118.16 110.01 2kw5 n LYS 145 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.39 2kw5 n LYS 145 Cb 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.24 2kw5 n LYS 145 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kw5 s ASP 146 N -1.84 -0.13 0.00 3.14 2.15 -1.26 -5.02 116.67 113.71 2kw5 s ASP 146 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.01 2kw5 s ASP 146 Cb 0.00 0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2kw5 s ASP 146 CO 0.00 -0.20 0.93 0.18 -0.17 0.00 0.00 175.17 175.91 2kw5 n LEU 147 N 0.06 0.00 -0.34 -1.34 4.77 -1.26 -1.30 117.00 117.58 2kw5 n LEU 147 Ca -0.00 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 2kw5 n LEU 147 Cb 0.58 -0.43 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 2kw5 n LEU 147 CO 0.09 -0.43 1.19 -0.78 -1.33 0.00 0.00 177.39 176.14 2kw5 h ASP 148 N 0.00 1.14 -0.03 -1.43 3.58 -2.00 -3.06 116.42 114.61 2kw5 h ASP 148 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2kw5 h ASP 148 Cb 0.06 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 40.82 2kw5 h ASP 148 CO 0.00 0.90 0.00 0.18 -2.88 0.00 0.00 179.24 177.44 2kw5 n LEU 149 N -4.34 0.98 -4.36 2.28 4.77 -0.42 -4.64 117.00 111.28 2kw5 n LEU 149 Ca 0.10 -0.49 -0.45 0.00 -0.03 0.00 0.00 56.01 55.14 2kw5 n LEU 149 Cb 0.09 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 2kw5 n LEU 149 CO 0.39 0.22 0.09 -0.76 -1.33 0.00 0.00 177.39 175.99 2kw5 s LEU 150 N -0.32 5.80 -0.03 2.23 1.43 -1.16 -5.00 118.68 121.64 2kw5 s LEU 150 Ca 0.02 -1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 51.36 2kw5 s LEU 150 Cb 0.02 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2kw5 s LEU 150 CO 0.01 -0.74 0.93 -2.16 0.23 0.00 0.00 176.35 174.62 2kw5 s PRO 151 N 1.68 4.52 0.48 1.29 0.04 -1.26 -4.88 135.00 136.87 2kw5 s PRO 151 Ca 0.04 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 2kw5 s PRO 151 Cb -0.26 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 30.81 2kw5 s PRO 151 CO 0.06 -0.07 0.71 0.15 0.04 0.00 0.00 177.00 177.89 2kw5 s LYS 152 N 1.11 2.95 0.26 4.56 3.01 -1.26 -4.27 119.74 126.10 2kw5 s LYS 152 Ca 0.49 -0.50 -0.03 0.00 -1.01 0.00 0.00 55.97 54.92 2kw5 s LYS 152 Cb -0.20 -2.52 0.41 0.00 -1.01 0.00 0.00 37.83 34.51 2kw5 s LYS 152 CO 0.25 -0.40 1.87 -0.07 0.51 0.00 0.00 175.35 177.50 2kw5 h LEU 153 N 0.27 0.97 -0.81 3.17 3.38 -1.97 -2.54 115.31 117.78 2kw5 h LEU 153 Ca -0.45 0.02 0.16 0.00 0.09 0.00 0.00 57.88 57.69 2kw5 h LEU 153 Cb 1.26 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 2kw5 h LEU 153 CO 0.57 0.60 0.35 -0.33 0.09 0.00 0.00 178.44 179.72 2kw5 h GLU 154 N 1.10 0.47 0.04 1.13 3.07 -1.99 0.31 114.58 118.70 2kw5 h GLU 154 Ca 0.43 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2kw5 h GLU 154 Cb 0.22 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2kw5 h GLU 154 CO -0.19 0.31 -0.02 1.15 -1.40 0.00 0.00 179.01 178.86 2kw5 h THR 155 N 0.48 0.94 -0.09 1.13 2.02 -1.90 -3.23 112.91 112.26 2kw5 h THR 155 Ca 0.46 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 2kw5 h THR 155 Cb 0.72 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2kw5 h THR 155 CO -0.42 0.31 -0.22 -0.07 0.37 0.00 0.00 175.52 175.48 2kw5 h LEU 156 N -0.97 0.35 -0.59 2.58 3.38 -1.22 -0.58 115.31 118.26 2kw5 h LEU 156 Ca -0.01 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2kw5 h LEU 156 Cb 0.54 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kw5 h LEU 156 CO 0.01 0.87 0.38 -0.61 0.09 0.00 0.00 178.44 179.18 2kw5 h GLN 157 N -0.16 0.78 0.00 1.13 -0.00 -1.15 -2.20 115.11 113.51 2kw5 h GLN 157 Ca -0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 2kw5 h GLN 157 Cb 0.83 -0.17 -0.00 0.00 0.00 0.00 0.00 27.48 28.13 2kw5 h GLN 157 CO 0.05 0.53 -0.09 1.03 0.00 0.00 0.00 178.83 180.36 2kw5 h SER 158 N 0.80 0.00 1.39 -0.69 0.87 -1.56 -3.07 113.55 111.28 2kw5 h SER 158 Ca 0.21 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2kw5 h SER 158 Cb -0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2kw5 h SER 158 CO -0.04 0.09 -0.30 -0.08 -0.53 0.00 0.00 176.83 175.97 2kw5 h GLU 159 N 0.00 0.00 -2.41 2.24 4.57 -0.47 -3.37 114.58 115.13 2kw5 h GLU 159 Ca -0.00 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.59 2kw5 h GLU 159 Cb 0.68 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.87 2kw5 h GLU 159 CO 0.01 0.30 -0.82 1.28 -1.18 0.00 0.00 179.01 178.60 2kw5 n LEU 160 N -3.25 1.56 0.23 1.64 4.77 -1.04 -4.88 117.00 116.02 2kw5 n LEU 160 Ca 0.02 -4.91 0.14 0.00 -0.03 0.00 0.00 56.01 51.23 2kw5 n LEU 160 Cb 0.58 -0.04 0.42 0.00 -2.33 0.00 0.00 43.42 42.05 2kw5 n LEU 160 CO 0.36 1.93 0.90 1.55 -1.33 0.00 0.00 177.39 180.80 2kw5 h PRO 161 N 4.82 0.00 0.12 3.23 0.13 -1.74 -3.18 132.00 135.38 2kw5 h PRO 161 Ca 0.17 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.98 2kw5 h PRO 161 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2kw5 h PRO 161 CO 0.59 0.00 -1.70 0.77 -0.23 0.00 0.00 178.00 177.43 2kw5 h SER 162 N 0.00 0.41 -0.05 1.44 0.02 -1.93 -3.40 113.55 110.05 2kw5 h SER 162 Ca 0.00 -0.88 -0.60 0.00 -0.84 0.00 0.00 61.79 59.47 2kw5 h SER 162 Cb 0.75 -0.13 0.05 0.00 0.14 0.00 0.00 62.40 63.21 2kw5 h SER 162 CO 0.00 1.74 2.03 -0.11 -1.14 0.00 0.00 176.83 179.35 2kw5 n LEU 163 N -3.73 3.57 -4.72 5.07 7.94 -1.20 -4.87 117.00 119.04 2kw5 n LEU 163 Ca -0.28 -2.74 -0.42 0.00 -1.11 0.00 0.00 56.01 51.46 2kw5 n LEU 163 Cb 0.97 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 2kw5 n LEU 163 CO 0.42 -0.76 1.15 0.20 -1.11 0.00 0.00 177.39 177.29 2kw5 s ASN 164 N 5.44 6.68 -0.03 1.96 0.02 -1.26 -4.78 114.94 122.96 2kw5 s ASN 164 Ca 0.60 2.54 -0.18 0.00 -1.02 0.00 0.00 52.86 54.81 2kw5 s ASN 164 Cb 0.13 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.75 2kw5 s ASN 164 CO 0.15 -0.74 0.49 0.26 0.02 0.00 0.00 177.10 177.28 2kw5 s TRP 165 N 0.84 3.66 0.27 2.20 0.52 -1.26 -3.01 118.94 122.16 2kw5 s TRP 165 Ca 0.66 1.04 0.10 0.00 0.02 0.00 0.00 56.10 57.92 2kw5 s TRP 165 Cb -0.41 -2.47 0.35 0.00 -1.15 0.00 0.00 33.47 29.79 2kw5 s TRP 165 CO 0.34 0.42 1.61 -0.07 0.02 0.00 0.00 176.95 179.27 2kw5 h LEU 166 N 5.54 0.00 -7.67 2.99 3.38 -0.84 -3.43 115.31 115.28 2kw5 h LEU 166 Ca -0.46 -0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.00 2kw5 h LEU 166 Cb 1.20 -0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.58 2kw5 h LEU 166 CO 0.68 0.62 -0.79 -0.63 0.09 0.00 0.00 178.44 178.41 2kw5 s ILE 167 N -3.61 0.86 -0.48 1.22 1.01 -1.16 -4.96 121.20 114.09 2kw5 s ILE 167 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.50 2kw5 s ILE 167 Cb 0.13 -0.91 0.22 0.00 0.01 0.00 0.00 42.46 41.91 2kw5 s ILE 167 CO 0.76 0.34 0.74 0.00 0.00 0.00 0.00 174.94 176.79 2kw5 n ALA 168 N 4.90 -0.66 -2.91 9.38 0.00 -1.22 -1.75 120.51 128.25 2kw5 n ALA 168 Ca -0.12 -1.71 -0.10 0.00 0.00 0.00 0.00 53.44 51.51 2kw5 n ALA 168 Cb 0.50 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2kw5 n ALA 168 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kw5 s ASN 169 N -0.72 0.12 -0.58 0.00 2.47 -1.20 -5.02 114.94 110.01 2kw5 s ASN 169 Ca 0.32 -0.40 -0.28 0.00 0.42 0.00 0.00 52.86 52.92 2kw5 s ASN 169 Cb 0.14 0.20 0.02 0.00 -1.45 0.00 0.00 41.25 40.16 2kw5 s ASN 169 CO -0.17 -0.43 1.32 0.20 -3.72 0.00 0.00 177.10 174.31 2kw5 s ASN 170 N -1.75 6.25 -0.20 -4.21 -0.87 -1.26 -2.72 114.94 110.18 2kw5 s ASN 170 Ca -0.10 0.17 -0.04 0.00 -1.57 0.00 0.00 52.86 51.31 2kw5 s ASN 170 Cb -0.05 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.61 2kw5 s ASN 170 CO -0.02 -1.64 -0.03 -0.76 -2.57 0.00 0.00 177.10 172.09 2kw5 s LEU 171 N 5.63 3.08 -0.20 0.60 1.43 0.47 -4.94 118.68 124.75 2kw5 s LEU 171 Ca 0.48 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 2kw5 s LEU 171 Cb -0.09 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2kw5 s LEU 171 CO 0.24 0.05 0.75 -1.61 0.23 0.00 0.00 176.35 176.02 2kw5 s GLU 172 N 1.08 4.24 -0.23 1.70 8.01 -1.26 -1.42 118.70 130.82 2kw5 s GLU 172 Ca 0.02 0.85 -0.12 0.00 0.01 0.00 0.00 54.97 55.72 2kw5 s GLU 172 Cb -0.15 -3.59 -0.05 0.00 -4.31 0.00 0.00 34.13 26.04 2kw5 s GLU 172 CO 0.01 -0.34 0.24 0.50 0.01 0.00 0.00 175.26 175.68 2kw5 s ARG 173 N 2.22 4.10 -0.77 1.61 3.52 -0.36 -4.93 118.95 124.34 2kw5 s ARG 173 Ca 0.34 -0.11 -0.26 0.00 -0.13 0.00 0.00 55.73 55.58 2kw5 s ARG 173 Cb -0.16 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2kw5 s ARG 173 CO 0.11 0.02 1.25 -0.80 -0.81 0.00 0.00 175.30 175.07 2kw5 s ASN 174 N 1.06 6.22 -0.21 -2.12 -0.87 -1.26 -0.60 114.94 117.16 2kw5 s ASN 174 Ca 0.11 -0.72 -0.38 0.00 -1.57 0.00 0.00 52.86 50.30 2kw5 s ASN 174 Cb -0.14 -2.53 -0.14 0.00 -0.02 0.00 0.00 41.25 38.41 2kw5 s ASN 174 CO 0.06 -1.71 1.79 0.18 -2.57 0.00 0.00 177.10 174.85 2kw5 n LEU 175 N 8.97 2.76 -4.59 0.60 4.77 0.20 -4.85 117.00 124.85 2kw5 n LEU 175 Ca 0.07 1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 2kw5 n LEU 175 Cb 0.49 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 2kw5 n LEU 175 CO 0.69 -0.30 1.68 -0.62 -1.33 0.00 0.00 177.39 177.50 2kw5 s ASP 176 N 3.70 5.63 0.20 -1.43 2.15 -1.26 -4.30 116.67 121.35 2kw5 s ASP 176 Ca 0.96 1.46 0.00 0.00 0.43 0.00 0.00 52.55 55.40 2kw5 s ASP 176 Cb -0.93 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.17 2kw5 s ASP 176 CO 0.61 -1.89 0.00 1.21 -0.17 0.00 0.00 175.17 174.92 2kw5 n GLU 177 N 8.62 0.00 -2.57 4.34 4.07 -1.26 -5.07 120.64 128.77 2kw5 n GLU 177 Ca 0.26 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.28 2kw5 n GLU 177 Cb 0.47 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.89 2kw5 n GLU 177 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kw5 n GLY 178 N -1.40 0.04 0.00 8.31 0.00 -1.26 -5.08 105.19 105.81 2kw5 n GLY 178 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2kw5 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw5 n ALA 179 N -2.41 0.00 -0.03 4.61 0.00 -1.26 -4.99 120.51 116.43 2kw5 n ALA 179 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2kw5 n ALA 179 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 2kw5 n ALA 179 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2kw5 h TYR 180 N -0.92 0.80 -3.54 0.00 3.20 -2.05 -3.43 116.97 111.04 2kw5 h TYR 180 Ca 0.00 -0.25 -0.49 0.00 3.14 0.00 0.00 58.73 61.13 2kw5 h TYR 180 Cb 0.00 -0.17 0.03 0.00 1.54 0.00 0.00 36.73 38.13 2kw5 h TYR 180 CO 0.00 0.99 0.09 -1.01 -1.64 0.00 0.00 178.16 176.59 2kw5 s HIS 181 N -4.21 3.55 0.54 -3.82 3.76 -1.26 -5.00 115.29 108.85 2kw5 s HIS 181 Ca -0.08 0.82 0.28 0.00 -0.15 0.00 0.00 55.06 55.93 2kw5 s HIS 181 Cb 0.12 -2.30 1.69 0.00 1.11 0.00 0.00 32.58 33.20 2kw5 s HIS 181 CO 0.84 -0.22 2.20 1.96 -0.85 0.00 0.00 174.74 178.67 2kw5 h GLN 182 N 0.44 0.00 -4.73 1.40 4.20 -2.00 -3.46 115.11 110.96 2kw5 h GLN 182 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2kw5 h GLN 182 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2kw5 h GLN 182 CO 0.62 0.04 -0.03 0.41 -0.67 0.00 0.00 178.83 179.20 2kw5 n GLY 183 N -1.16 -1.00 3.85 3.46 0.00 -1.26 -4.67 105.19 104.40 2kw5 n GLY 183 Ca -0.03 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 2kw5 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kw5 s LYS 184 N -2.93 2.26 -0.25 1.61 1.02 -1.26 0.60 119.74 120.79 2kw5 s LYS 184 Ca 0.02 -2.00 -0.16 0.00 0.02 0.00 0.00 55.97 53.85 2kw5 s LYS 184 Cb -0.00 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.36 2kw5 s LYS 184 CO 0.55 -0.44 0.62 0.00 -0.92 0.00 0.00 175.35 175.16 2kw5 s ALA 185 N -2.73 -1.62 -0.50 5.17 0.00 0.23 -4.72 121.76 117.59 2kw5 s ALA 185 Ca 0.32 2.07 -0.27 0.00 0.00 0.00 0.00 51.96 54.09 2kw5 s ALA 185 Cb -0.00 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.92 2kw5 s ALA 185 CO 0.19 -0.33 1.05 0.00 0.00 0.00 0.00 175.76 176.66 2kw5 s ALA 186 N 1.24 3.16 0.38 0.00 0.00 -1.26 -1.23 121.76 124.05 2kw5 s ALA 186 Ca -0.07 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2kw5 s ALA 186 Cb -0.06 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 2kw5 s ALA 186 CO -0.13 -2.27 0.03 -0.51 0.00 0.00 0.00 175.76 172.87 2kw5 s LEU 187 N 4.23 2.93 -0.09 0.00 1.43 -0.51 -3.14 118.68 123.53 2kw5 s LEU 187 Ca 0.41 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2kw5 s LEU 187 Cb -0.09 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2kw5 s LEU 187 CO 0.27 -0.37 0.14 0.27 0.23 0.00 0.00 176.35 176.90 2kw5 s ILE 188 N -2.62 -0.23 -0.03 -0.59 -4.36 -0.98 -0.40 121.20 112.00 2kw5 s ILE 188 Ca 0.36 0.30 -0.03 0.00 -0.26 0.00 0.00 60.65 61.02 2kw5 s ILE 188 Cb 0.05 -0.31 -0.04 0.00 1.25 0.00 0.00 42.46 43.40 2kw5 s ILE 188 CO 0.19 0.10 0.17 -1.10 0.24 0.00 0.00 174.94 174.54 2kw5 s GLN 189 N 2.26 3.41 -0.05 0.37 -0.21 -1.10 -1.29 119.66 123.05 2kw5 s GLN 189 Ca 0.04 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.13 2kw5 s GLN 189 Cb -0.13 -3.09 0.01 0.00 1.00 0.00 0.00 33.01 30.80 2kw5 s GLN 189 CO -0.06 0.69 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.20 2kw5 s LEU 190 N -1.79 1.57 -0.23 2.90 1.43 0.01 -3.21 118.68 119.36 2kw5 s LEU 190 Ca 0.25 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2kw5 s LEU 190 Cb -0.12 -0.63 0.08 0.00 0.03 0.00 0.00 46.19 45.54 2kw5 s LEU 190 CO 0.16 0.01 0.08 -0.22 0.23 0.00 0.00 176.35 176.61 2kw5 s LEU 191 N 0.64 1.11 0.12 1.79 2.96 -0.72 -1.79 118.68 122.79 2kw5 s LEU 191 Ca -0.11 -1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 52.53 2kw5 s LEU 191 Cb -0.14 -0.54 -0.07 0.00 0.50 0.00 0.00 46.19 45.94 2kw5 s LEU 191 CO 0.02 -0.36 0.70 -0.83 -1.32 0.00 0.00 176.35 174.56 2kw5 s GLY 192 N 1.91 2.82 0.08 7.98 0.00 -0.89 -0.10 107.32 119.12 2kw5 s GLY 192 Ca 0.04 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.01 2kw5 s GLY 192 CO -0.17 0.74 -0.07 1.62 0.00 0.00 0.00 173.10 175.23 2kw5 s GLN 193 N -1.03 0.75 -0.06 2.90 2.00 -1.16 -3.06 119.66 119.99 2kw5 s GLN 193 Ca 0.33 -1.19 -0.33 0.00 -2.00 0.00 0.00 55.36 52.18 2kw5 s GLN 193 Cb -0.22 -0.20 -0.11 0.00 0.80 0.00 0.00 33.01 33.28 2kw5 s GLN 193 CO 0.23 -0.01 1.90 1.17 -0.50 0.00 0.00 175.29 178.09 2kw5 n LYS 194 N 0.34 2.31 -2.02 1.67 4.81 -1.26 -4.40 118.16 119.60 2kw5 n LYS 194 Ca -0.15 0.85 -0.41 0.00 -0.87 0.00 0.00 58.31 57.73 2kw5 n LYS 194 Cb 0.59 -2.72 -0.02 0.00 0.02 0.00 0.00 35.03 32.90 2kw5 n LYS 194 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kw5 s LEU 195 N 4.14 4.39 0.19 3.14 1.43 -1.26 -4.88 118.68 125.83 2kw5 s LEU 195 Ca 0.92 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 56.56 2kw5 s LEU 195 Cb -0.64 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 41.95 2kw5 s LEU 195 CO 0.50 -0.69 0.38 -0.70 0.23 0.00 0.00 176.35 176.07 2kw5 s GLU 196 N -0.46 1.29 0.00 1.70 -6.30 -1.26 -5.04 118.70 108.63 2kw5 s GLU 196 Ca 0.59 -1.11 0.15 0.00 -2.50 0.00 0.00 54.97 52.10 2kw5 s GLU 196 Cb -0.42 0.43 0.69 0.00 0.00 0.00 0.00 34.13 34.83 2kw5 s GLU 196 CO 0.44 -0.51 1.45 1.58 0.02 0.00 0.00 175.26 178.24 2kw5 n HIS 197 N -0.28 0.00 -1.95 5.30 -0.00 -1.26 -4.46 115.22 112.56 2kw5 n HIS 197 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.27 2kw5 n HIS 197 Cb 0.63 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.99 30.19 2kw5 n HIS 197 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw5 s HIS 198 N -2.80 1.58 0.17 1.57 5.04 -1.26 -5.00 115.29 114.59 2kw5 s HIS 198 Ca 0.10 0.90 -0.22 0.00 -1.54 0.00 0.00 55.06 54.31 2kw5 s HIS 198 Cb 0.10 -4.01 -0.08 0.00 0.04 0.00 0.00 32.58 28.63 2kw5 s HIS 198 CO 0.25 -2.42 0.71 -1.01 -2.34 0.00 0.00 174.74 169.93 2kw5 s HIS 199 N 9.36 3.78 -0.16 3.88 3.76 -1.26 -5.00 115.29 129.65 2kw5 s HIS 199 Ca 0.74 1.45 -0.26 0.00 -0.15 0.00 0.00 55.06 56.84 2kw5 s HIS 199 Cb -0.14 -2.64 -0.24 0.00 1.11 0.00 0.00 32.58 30.66 2kw5 s HIS 199 CO 0.23 0.46 0.58 1.25 -0.85 0.00 0.00 174.74 176.41 2kw5 h HIS 200 N 4.00 0.05 -1.76 1.40 2.76 -1.96 -3.50 115.15 116.14 2kw5 h HIS 200 Ca -0.48 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 2kw5 h HIS 200 Cb 1.20 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2kw5 h HIS 200 CO 0.65 1.20 0.00 0.72 -1.30 0.00 0.00 177.93 179.20 2kw5 n HIS 201 N -4.49 -0.26 -0.73 5.26 8.25 -1.26 -5.34 115.22 116.64 2kw5 n HIS 201 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2kw5 n HIS 201 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2kw5 n HIS 201 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56