#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi7 s SER 2 N 0.00 3.45 -0.15 1.61 0.15 -1.26 -4.96 113.70 112.54 1wi7 s SER 2 Ca 0.00 -2.18 -0.13 0.00 0.70 0.00 0.00 55.95 54.35 1wi7 s SER 2 Cb 0.00 -0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 63.54 1wi7 s SER 2 CO 0.00 -0.32 -0.27 -1.20 1.20 0.00 0.00 173.24 172.65 1wi7 n SER 3 N 4.10 1.66 0.00 5.45 7.64 -1.26 -5.10 113.62 126.11 1wi7 n SER 3 Ca 0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1wi7 n SER 3 Cb 0.37 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1wi7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi7 n GLY 4 N 1.83 1.51 1.38 0.23 0.00 -1.26 -5.12 105.19 103.77 1wi7 n GLY 4 Ca -0.22 -0.46 0.17 0.00 0.00 0.00 0.00 46.02 45.50 1wi7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi7 n SER 5 N 0.00 -7.49 -4.17 1.61 2.88 -1.26 -4.85 113.62 100.34 1wi7 n SER 5 Ca 0.00 1.41 -0.34 0.00 -1.33 0.00 0.00 58.87 58.61 1wi7 n SER 5 Cb 0.00 -4.77 -0.15 0.00 -0.75 0.00 0.00 64.21 58.55 1wi7 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi7 s SER 6 N -7.11 4.09 -0.30 -3.46 0.15 -1.26 -5.06 113.70 100.76 1wi7 s SER 6 Ca 0.00 -0.89 -0.06 0.00 0.70 0.00 0.00 55.95 55.70 1wi7 s SER 6 Cb 0.00 -1.61 0.18 0.00 -1.71 0.00 0.00 66.02 62.88 1wi7 s SER 6 CO 0.00 -0.11 0.77 -0.83 1.20 0.00 0.00 173.24 174.27 1wi7 s GLY 7 N 1.29 -0.74 0.25 9.45 0.00 -1.26 -4.97 107.32 111.35 1wi7 s GLY 7 Ca -0.00 2.23 0.02 0.00 0.00 0.00 0.00 44.72 46.97 1wi7 s GLY 7 CO -0.06 3.50 0.42 0.50 0.00 0.00 0.00 173.10 177.45 1wi7 s ARG 8 N 2.87 3.47 0.03 2.90 3.00 -1.03 -4.97 118.95 125.22 1wi7 s ARG 8 Ca 0.11 -0.51 0.05 0.00 0.00 0.00 0.00 55.73 55.38 1wi7 s ARG 8 Cb -0.13 -2.82 -0.02 0.00 0.00 0.00 0.00 34.95 31.98 1wi7 s ARG 8 CO -0.17 0.35 -0.15 1.03 0.00 0.00 0.00 175.30 176.35 1wi7 s ARG 9 N -3.84 1.03 -0.03 3.54 0.52 -1.26 -0.88 118.95 118.03 1wi7 s ARG 9 Ca 0.37 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.68 1wi7 s ARG 9 Cb -0.10 -1.05 0.03 0.00 0.52 0.00 0.00 34.95 34.35 1wi7 s ARG 9 CO 0.31 0.26 0.35 0.00 0.02 0.00 0.00 175.30 176.24 1wi7 s GLN 11 N -1.20 3.27 -0.41 0.00 0.74 -0.99 -1.50 119.66 119.57 1wi7 s GLN 11 Ca -0.12 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.73 1wi7 s GLN 11 Cb -0.05 -3.02 0.01 0.00 1.10 0.00 0.00 33.01 31.06 1wi7 s GLN 11 CO 0.04 0.71 1.30 0.08 -0.55 0.00 0.00 175.29 176.87 1wi7 s VAL 12 N -0.87 4.06 -0.17 1.34 1.01 0.20 -1.44 120.40 124.52 1wi7 s VAL 12 Ca 0.13 1.11 0.17 0.00 0.00 0.00 0.00 61.98 63.39 1wi7 s VAL 12 Cb -0.12 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.95 1wi7 s VAL 12 CO 0.03 -0.77 1.24 0.00 0.00 0.00 0.00 175.10 175.60 1wi7 h ALA 13 N 9.89 0.67 -3.23 5.51 0.00 -1.83 -1.64 119.26 128.63 1wi7 h ALA 13 Ca -0.26 -0.51 -0.33 0.00 0.00 0.00 0.00 54.91 53.81 1wi7 h ALA 13 Cb 1.09 0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.54 1wi7 h ALA 13 CO 1.09 0.63 -0.69 -0.06 0.00 0.00 0.00 179.25 180.22 1wi7 s PHE 14 N -2.99 -0.04 0.46 0.00 0.40 -1.15 -4.82 117.98 109.84 1wi7 s PHE 14 Ca 0.02 0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 56.51 1wi7 s PHE 14 Cb 0.08 -0.37 -0.08 0.00 0.51 0.00 0.00 43.02 43.16 1wi7 s PHE 14 CO 0.76 -0.22 1.36 -1.13 0.70 0.00 0.00 175.22 176.70 1wi7 n SER 15 N 5.23 2.93 -3.74 1.36 3.41 -1.26 -4.67 113.62 116.89 1wi7 n SER 15 Ca -0.05 1.08 -0.27 0.00 -0.26 0.00 0.00 58.87 59.37 1wi7 n SER 15 Cb 0.50 -1.56 -0.17 0.00 -0.26 0.00 0.00 64.21 62.72 1wi7 n SER 15 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1wi7 s TYR 16 N -1.22 0.92 -0.08 7.33 6.14 0.25 -4.89 117.35 125.82 1wi7 s TYR 16 Ca 0.63 -0.71 -0.28 0.00 0.64 0.00 0.00 57.07 57.36 1wi7 s TYR 16 Cb -0.46 -0.97 -0.02 0.00 0.42 0.00 0.00 41.96 40.93 1wi7 s TYR 16 CO 0.56 -0.56 0.90 -0.51 0.64 0.00 0.00 175.55 176.59 1wi7 s LEU 17 N 1.89 4.29 -0.38 6.97 2.01 -1.26 -1.01 118.68 131.19 1wi7 s LEU 17 Ca 0.00 1.43 -0.29 0.00 0.01 0.00 0.00 54.13 55.29 1wi7 s LEU 17 Cb -0.16 -3.40 0.01 0.00 0.01 0.00 0.00 46.19 42.64 1wi7 s LEU 17 CO -0.08 -0.31 1.39 -2.16 1.01 0.00 0.00 176.35 176.20 1wi7 s PRO 18 N 1.48 3.67 0.00 1.29 0.04 -1.26 -4.85 135.00 135.36 1wi7 s PRO 18 Ca 0.45 1.04 0.14 0.00 0.04 0.00 0.00 61.00 62.67 1wi7 s PRO 18 Cb -0.19 -3.99 0.72 0.00 0.04 0.00 0.00 34.50 31.08 1wi7 s PRO 18 CO 0.20 -1.45 1.33 0.00 0.04 0.00 0.00 177.00 177.13 1wi7 n GLN 19 N 7.87 0.25 -4.46 4.56 10.64 -1.26 -4.70 117.38 130.28 1wi7 n GLN 19 Ca 0.16 0.12 -0.22 0.00 -1.83 0.00 0.00 57.00 55.23 1wi7 n GLN 19 Cb 0.48 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.26 1wi7 n GLN 19 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1wi7 s ASN 20 N -2.44 2.41 -1.12 2.61 0.01 -1.26 -5.07 114.94 110.08 1wi7 s ASN 20 Ca 0.15 -1.46 -0.07 0.00 -0.71 0.00 0.00 52.86 50.77 1wi7 s ASN 20 Cb 0.09 0.09 0.28 0.00 0.41 0.00 0.00 41.25 42.12 1wi7 s ASN 20 CO 0.20 -0.70 1.31 -0.67 -1.51 0.00 0.00 177.10 175.73 1wi7 n ASP 21 N -0.83 5.85 0.00 -1.22 -0.08 -1.26 -3.98 116.55 115.03 1wi7 n ASP 21 Ca -0.03 -3.19 0.00 0.00 -1.51 0.00 0.00 54.79 50.06 1wi7 n ASP 21 Cb 0.66 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1wi7 n ASP 21 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wi7 n ASP 22 N 2.37 0.00 -4.75 1.67 -0.08 -1.26 -5.14 116.55 109.35 1wi7 n ASP 22 Ca 0.26 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.19 1wi7 n ASP 22 Cb 0.37 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.87 1wi7 n ASP 22 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wi7 s GLU 23 N 0.00 2.83 0.31 -0.67 2.02 -1.26 -4.50 118.70 117.43 1wi7 s GLU 23 Ca 0.00 1.74 -0.27 0.00 0.02 0.00 0.00 54.97 56.46 1wi7 s GLU 23 Cb 0.00 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 32.21 1wi7 s GLU 23 CO 0.00 -1.30 0.97 -0.51 0.02 0.00 0.00 175.26 174.45 1wi7 s LEU 24 N -4.35 4.42 -0.58 1.80 1.43 -1.21 -4.71 118.68 115.47 1wi7 s LEU 24 Ca 0.75 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 55.63 1wi7 s LEU 24 Cb -0.28 -3.89 0.14 0.00 0.03 0.00 0.00 46.19 42.19 1wi7 s LEU 24 CO 0.36 -0.07 0.53 -0.70 0.23 0.00 0.00 176.35 176.70 1wi7 s GLU 25 N -1.82 3.05 0.20 1.70 2.12 -1.26 -4.31 118.70 118.38 1wi7 s GLU 25 Ca 0.48 -1.82 -0.30 0.00 0.36 0.00 0.00 54.97 53.69 1wi7 s GLU 25 Cb -0.22 -4.30 -0.08 0.00 0.26 0.00 0.00 34.13 29.79 1wi7 s GLU 25 CO 0.28 -1.32 1.21 -0.51 -0.54 0.00 0.00 175.26 174.38 1wi7 s LEU 26 N 1.37 4.45 -0.10 2.70 1.43 -0.18 -4.80 118.68 123.56 1wi7 s LEU 26 Ca 0.05 2.27 -0.02 0.00 -1.03 0.00 0.00 54.13 55.41 1wi7 s LEU 26 Cb -0.27 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1wi7 s LEU 26 CO 0.01 -0.38 0.00 -0.54 0.23 0.00 0.00 176.35 175.68 1wi7 s LYS 27 N -0.36 0.66 -0.49 1.70 1.02 -1.26 0.88 119.74 121.89 1wi7 s LYS 27 Ca 0.53 -0.00 -0.36 0.00 0.02 0.00 0.00 55.97 56.16 1wi7 s LYS 27 Cb -0.33 -1.21 -0.17 0.00 -0.52 0.00 0.00 37.83 35.60 1wi7 s LYS 27 CO 0.38 -0.36 1.89 0.28 -0.92 0.00 0.00 175.35 176.61 1wi7 n VAL 28 N 5.12 0.00 0.00 3.17 0.31 -1.26 0.25 118.33 125.92 1wi7 n VAL 28 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1wi7 n VAL 28 Cb 0.50 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1wi7 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wi7 n GLY 29 N 6.22 2.06 3.70 2.92 0.00 -0.62 -5.00 105.19 114.47 1wi7 n GLY 29 Ca 0.48 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1wi7 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi7 n ASP 30 N 0.10 2.93 -4.34 1.61 9.92 0.69 -4.59 116.55 122.88 1wi7 n ASP 30 Ca 0.00 1.18 -0.34 0.00 -0.53 0.00 0.00 54.79 55.10 1wi7 n ASP 30 Cb 0.00 -1.48 -0.14 0.00 -0.64 0.00 0.00 41.12 38.86 1wi7 n ASP 30 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wi7 s ILE 31 N -0.60 3.27 -0.06 0.53 1.01 -1.26 -0.63 121.20 123.46 1wi7 s ILE 31 Ca 0.61 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.71 1wi7 s ILE 31 Cb -0.58 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1wi7 s ILE 31 CO 0.56 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 175.33 1wi7 s ILE 32 N 1.04 4.17 -1.01 2.92 1.01 -0.56 -4.52 121.20 124.24 1wi7 s ILE 32 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1wi7 s ILE 32 Cb -0.15 -2.78 0.22 0.00 0.01 0.00 0.00 42.46 39.76 1wi7 s ILE 32 CO -0.01 0.53 1.06 -1.61 0.00 0.00 0.00 174.94 174.92 1wi7 s GLU 33 N -1.09 3.90 -0.43 2.79 2.02 -1.12 -1.87 118.70 122.89 1wi7 s GLU 33 Ca 0.15 -2.64 -0.40 0.00 0.02 0.00 0.00 54.97 52.09 1wi7 s GLU 33 Cb -0.11 -4.66 -0.16 0.00 0.10 0.00 0.00 34.13 29.30 1wi7 s GLU 33 CO 0.05 -1.43 2.16 0.28 0.02 0.00 0.00 175.26 176.33 1wi7 n VAL 34 N 3.87 0.08 -0.10 2.63 0.31 -0.06 -3.26 118.33 121.81 1wi7 n VAL 34 Ca 0.23 -0.11 -0.23 0.00 -0.01 0.00 0.00 64.34 64.22 1wi7 n VAL 34 Cb 0.44 -0.98 -0.12 0.00 -0.91 0.00 0.00 33.84 32.27 1wi7 n VAL 34 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1wi7 n VAL 35 N 6.77 1.58 -3.82 2.52 0.24 0.11 -2.47 118.33 123.27 1wi7 n VAL 35 Ca 0.49 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 1wi7 n VAL 35 Cb 0.07 -1.78 -0.05 0.00 -1.47 0.00 0.00 33.84 30.61 1wi7 n VAL 35 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wi7 s GLY 36 N -5.61 0.11 -0.20 7.63 0.00 -0.38 -4.97 107.32 103.90 1wi7 s GLY 36 Ca -0.32 -0.48 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 1wi7 s GLY 36 CO 0.61 -0.53 0.01 1.85 0.00 0.00 0.00 173.10 175.04 1wi7 s GLU 37 N -3.90 3.66 -0.00 2.90 -6.30 -1.26 0.20 118.70 114.01 1wi7 s GLU 37 Ca 0.11 -0.50 -0.01 0.00 -2.50 0.00 0.00 54.97 52.07 1wi7 s GLU 37 Cb 0.02 -3.12 -0.01 0.00 0.00 0.00 0.00 34.13 31.02 1wi7 s GLU 37 CO -0.04 0.03 0.49 0.28 0.02 0.00 0.00 175.26 176.04 1wi7 h VAL 38 N 5.34 0.00 -3.96 3.70 2.07 -1.63 -3.46 116.25 118.30 1wi7 h VAL 38 Ca -0.36 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1wi7 h VAL 38 Cb 1.18 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.83 1wi7 h VAL 38 CO 0.62 0.00 -0.32 -1.83 0.02 0.00 0.00 177.57 176.05 1wi7 s GLU 39 N -2.08 1.29 -0.27 1.57 -1.05 -0.38 -5.02 118.70 112.75 1wi7 s GLU 39 Ca -0.01 -1.29 -0.38 0.00 -0.15 0.00 0.00 54.97 53.14 1wi7 s GLU 39 Cb 0.00 0.38 -0.14 0.00 -0.44 0.00 0.00 34.13 33.94 1wi7 s GLU 39 CO 0.02 -0.48 1.91 -1.91 0.95 0.00 0.00 175.26 175.75 1wi7 n GLU 40 N -0.28 1.29 0.00 -4.83 2.13 -1.26 0.20 120.64 117.90 1wi7 n GLU 40 Ca -0.04 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1wi7 n GLU 40 Cb 0.63 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1wi7 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wi7 n GLY 41 N 5.02 1.43 3.09 8.31 0.00 -1.26 -5.01 105.19 116.76 1wi7 n GLY 41 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1wi7 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wi7 s TRP 42 N -2.33 2.04 0.39 1.61 0.52 0.53 -1.22 118.94 120.47 1wi7 s TRP 42 Ca 0.00 -0.91 0.01 0.00 0.02 0.00 0.00 56.10 55.22 1wi7 s TRP 42 Cb 0.00 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1wi7 s TRP 42 CO 0.00 -0.44 0.05 0.91 0.02 0.00 0.00 176.95 177.49 1wi7 n TRP 43 N 4.00 0.62 -3.75 -1.98 8.01 0.18 -1.25 117.44 123.26 1wi7 n TRP 43 Ca -0.20 -1.87 -0.13 0.00 -1.31 0.00 0.00 57.50 53.99 1wi7 n TRP 43 Cb 0.52 -0.27 -0.14 0.00 -2.01 0.00 0.00 31.31 29.41 1wi7 n TRP 43 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1wi7 s GLU 44 N -3.44 0.15 0.00 -0.99 2.12 0.55 -1.11 118.70 115.98 1wi7 s GLU 44 Ca 0.04 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1wi7 s GLU 44 Cb -0.00 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1wi7 s GLU 44 CO 0.02 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1wi7 n GLY 45 N 3.98 2.70 3.73 -1.50 0.00 -1.15 0.09 105.19 113.03 1wi7 n GLY 45 Ca -0.23 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 1wi7 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wi7 s VAL 46 N -2.75 3.23 -0.21 1.61 1.01 -1.20 -2.86 120.40 119.23 1wi7 s VAL 46 Ca 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 61.98 60.24 1wi7 s VAL 46 Cb 0.00 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.49 1wi7 s VAL 46 CO 0.00 -0.23 0.25 -0.22 0.00 0.00 0.00 175.10 174.90 1wi7 s LEU 47 N -3.82 -0.21 -0.70 3.92 2.96 0.17 -2.81 118.68 118.19 1wi7 s LEU 47 Ca 0.36 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1wi7 s LEU 47 Cb -0.04 0.53 0.00 0.00 0.50 0.00 0.00 46.19 47.18 1wi7 s LEU 47 CO 0.22 -0.32 0.00 -0.46 -1.32 0.00 0.00 176.35 174.48 1wi7 n ASN 48 N 5.33 -2.31 0.00 3.68 0.23 -1.26 0.21 115.26 121.13 1wi7 n ASN 48 Ca -0.05 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1wi7 n ASN 48 Cb 0.50 -2.19 0.00 0.00 -2.08 0.00 0.00 39.78 36.00 1wi7 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wi7 n GLY 49 N -0.41 2.38 3.46 4.83 0.00 -1.26 -5.08 105.19 109.11 1wi7 n GLY 49 Ca -0.08 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1wi7 n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wi7 s LYS 50 N 0.00 -1.42 0.05 1.61 2.20 0.55 -4.98 119.74 117.76 1wi7 s LYS 50 Ca 0.00 0.58 -0.13 0.00 -0.36 0.00 0.00 55.97 56.06 1wi7 s LYS 50 Cb 0.00 -1.52 0.02 0.00 -1.51 0.00 0.00 37.83 34.82 1wi7 s LYS 50 CO 0.00 -3.99 0.29 0.99 -0.36 0.00 0.00 175.35 172.28 1wi7 s THR 51 N -2.47 0.09 0.00 3.43 2.01 -1.26 0.46 115.64 117.90 1wi7 s THR 51 Ca 0.68 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1wi7 s THR 51 Cb -0.21 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1wi7 s THR 51 CO 0.62 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1wi7 n GLY 52 N 0.46 -0.85 3.87 4.40 0.00 -1.14 -4.70 105.19 107.25 1wi7 n GLY 52 Ca -0.18 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 1wi7 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wi7 s MET 53 N -2.00 3.66 0.06 1.61 0.23 -1.26 -2.96 119.30 118.63 1wi7 s MET 53 Ca 0.00 0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.59 1wi7 s MET 53 Cb 0.00 -3.08 0.01 0.00 -1.53 0.00 0.00 34.83 30.24 1wi7 s MET 53 CO 0.00 0.64 0.25 -0.59 -2.03 0.00 0.00 175.02 173.29 1wi7 s PHE 54 N -1.29 -0.01 0.12 3.16 -0.71 -0.27 -3.34 117.98 115.64 1wi7 s PHE 54 Ca 0.28 -0.22 -0.30 0.00 -1.04 0.00 0.00 56.93 55.64 1wi7 s PHE 54 Cb -0.14 0.03 -0.07 0.00 -1.21 0.00 0.00 43.02 41.64 1wi7 s PHE 54 CO 0.16 -0.50 1.14 -1.25 -1.34 0.00 0.00 175.22 173.43 1wi7 s PRO 55 N -2.88 4.52 -0.12 1.99 0.04 -1.26 0.47 135.00 137.75 1wi7 s PRO 55 Ca -0.03 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1wi7 s PRO 55 Cb 0.00 -3.31 0.40 0.00 0.04 0.00 0.00 34.50 31.63 1wi7 s PRO 55 CO -0.05 -0.08 1.13 -1.13 0.04 0.00 0.00 177.00 176.91 1wi7 n SER 56 N 3.09 3.35 -0.92 6.66 3.41 -0.36 -3.60 113.62 125.26 1wi7 n SER 56 Ca 0.05 -2.48 0.08 0.00 -0.26 0.00 0.00 58.87 56.27 1wi7 n SER 56 Cb 0.46 -0.60 0.25 0.00 -0.26 0.00 0.00 64.21 64.07 1wi7 n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wi7 n ASN 57 N 0.28 3.85 -1.78 4.04 5.15 -1.26 -4.42 115.26 121.13 1wi7 n ASN 57 Ca 0.14 -2.86 0.01 0.00 -0.60 0.00 0.00 54.58 51.27 1wi7 n ASN 57 Cb 0.74 -0.51 0.02 0.00 -0.53 0.00 0.00 39.78 39.50 1wi7 n ASN 57 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1wi7 n PHE 58 N -0.28 0.11 -4.07 1.20 3.01 -1.24 -5.09 117.46 111.09 1wi7 n PHE 58 Ca 0.20 -0.94 -0.05 0.00 1.01 0.00 0.00 57.45 57.67 1wi7 n PHE 58 Cb 0.84 0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 40.38 1wi7 n PHE 58 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1wi7 n ILE 59 N 0.01 0.00 -3.39 4.37 -6.64 -1.26 -2.93 119.36 109.52 1wi7 n ILE 59 Ca -0.02 -0.66 -0.14 0.00 -1.77 0.00 0.00 62.75 60.17 1wi7 n ILE 59 Cb 0.97 0.33 -0.09 0.00 -1.44 0.00 0.00 39.64 39.41 1wi7 n ILE 59 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1wi7 s LYS 60 N -2.36 0.32 1.02 6.28 -2.85 -0.52 -4.74 119.74 116.89 1wi7 s LYS 60 Ca 0.11 0.16 -0.17 0.00 -1.00 0.00 0.00 55.97 55.07 1wi7 s LYS 60 Cb 0.01 -0.66 0.01 0.00 -2.06 0.00 0.00 37.83 35.12 1wi7 s LYS 60 CO 0.08 -0.84 -0.13 0.39 0.10 0.00 0.00 175.35 174.94 1wi7 n GLU 61 N 5.33 -0.66 -3.59 1.78 4.71 -1.26 -2.36 120.64 124.60 1wi7 n GLU 61 Ca -0.03 -0.17 -0.18 0.00 -0.01 0.00 0.00 57.16 56.77 1wi7 n GLU 61 Cb 0.49 -1.58 -0.14 0.00 -1.01 0.00 0.00 31.44 29.19 1wi7 n GLU 61 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1wi7 s LEU 62 N 1.22 -0.06 0.09 -4.62 1.43 -1.13 -4.77 118.68 110.83 1wi7 s LEU 62 Ca 0.52 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 1wi7 s LEU 62 Cb -0.14 0.30 0.07 0.00 0.03 0.00 0.00 46.19 46.45 1wi7 s LEU 62 CO 0.69 -0.29 0.62 -0.44 0.23 0.00 0.00 176.35 177.16 1wi7 s SER 63 N 2.30 -0.58 0.74 2.29 0.01 -1.26 -4.64 113.70 112.56 1wi7 s SER 63 Ca 0.04 0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.47 1wi7 s SER 63 Cb -0.14 0.57 0.09 0.00 0.21 0.00 0.00 66.02 66.75 1wi7 s SER 63 CO -0.09 -0.84 1.06 -0.83 0.41 0.00 0.00 173.24 172.95 1wi7 s GLY 64 N -2.21 1.71 1.00 3.44 0.00 -1.26 -5.08 107.32 104.92 1wi7 s GLY 64 Ca -0.03 -1.05 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 1wi7 s GLY 64 CO -0.05 -0.58 1.18 2.56 0.00 0.00 0.00 173.10 176.21 1wi7 s PRO 65 N -5.33 0.40 -0.42 2.90 0.04 -1.26 -4.55 135.00 126.78 1wi7 s PRO 65 Ca 0.63 0.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1wi7 s PRO 65 Cb -0.09 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1wi7 s PRO 65 CO 0.46 -2.64 0.60 0.43 0.04 0.00 0.00 177.00 175.89 1wi7 n SER 66 N -4.02 -6.45 -3.62 6.66 7.64 -1.26 -5.02 113.62 107.54 1wi7 n SER 66 Ca 0.10 0.14 -0.14 0.00 1.01 0.00 0.00 58.87 59.99 1wi7 n SER 66 Cb 0.59 -3.03 -0.07 0.00 -1.01 0.00 0.00 64.21 60.70 1wi7 n SER 66 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi7 s SER 67 N -1.84 -0.74 0.00 6.43 0.15 -1.26 -5.27 113.70 111.16 1wi7 s SER 67 Ca 0.32 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.36 1wi7 s SER 67 Cb -0.05 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1wi7 s SER 67 CO 0.80 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.59