#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 6.77 -0.61 1.61 0.01 -1.26 -5.03 113.70 115.18 1wi7 s SER 2 Ca 0.00 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.07 1wi7 s SER 2 Cb 0.00 -2.30 0.16 0.00 0.21 0.00 0.00 66.02 64.09 1wi7 s SER 2 CO 0.00 0.08 0.51 -0.44 0.41 0.00 0.00 173.24 173.80 1wi7 s SER 3 N 0.14 6.01 0.00 2.44 0.01 -1.26 -4.79 113.70 116.26 1wi7 s SER 3 Ca 0.27 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 55.25 1wi7 s SER 3 Cb -0.16 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wi7 s SER 3 CO 0.12 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1wi7 n GLY 4 N 4.46 2.08 3.69 3.44 0.00 -1.26 -4.96 105.19 112.65 1wi7 n GLY 4 Ca -0.00 -0.30 -0.56 0.00 0.00 0.00 0.00 46.02 45.16 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 4.13 2.39 -3.33 1.61 2.88 -1.26 -4.91 113.62 115.13 1wi7 n SER 5 Ca 0.00 1.07 -0.21 0.00 -1.33 0.00 0.00 58.87 58.41 1wi7 n SER 5 Cb 0.00 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.21 1wi7 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wi7 s SER 6 N 3.19 1.33 0.00 -3.46 0.01 -1.26 -4.81 113.70 108.70 1wi7 s SER 6 Ca 0.96 -2.08 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1wi7 s SER 6 Cb -1.02 0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1wi7 s SER 6 CO 0.62 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1wi7 n GLY 7 N 3.73 -3.13 3.78 3.44 0.00 -1.26 -4.99 105.19 106.76 1wi7 n GLY 7 Ca 0.17 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1wi7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wi7 s ARG 8 N 0.00 2.64 0.01 1.61 0.52 0.17 -4.96 118.95 118.94 1wi7 s ARG 8 Ca 0.00 -1.30 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1wi7 s ARG 8 Cb 0.00 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 1wi7 s ARG 8 CO 0.00 0.24 -0.06 1.03 0.02 0.00 0.00 175.30 176.53 1wi7 s ARG 9 N -3.86 0.45 0.08 3.54 0.52 -1.26 0.20 118.95 118.62 1wi7 s ARG 9 Ca 0.36 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1wi7 s ARG 9 Cb -0.06 -0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 1wi7 s ARG 9 CO 0.24 0.08 -0.04 0.00 0.02 0.00 0.00 175.30 175.60 1wi7 s GLN 11 N -3.88 1.88 -0.63 0.00 0.74 -1.15 -2.58 119.66 114.04 1wi7 s GLN 11 Ca 0.11 -2.05 -0.37 0.00 0.05 0.00 0.00 55.36 53.10 1wi7 s GLN 11 Cb 0.07 -3.43 -0.19 0.00 1.10 0.00 0.00 33.01 30.56 1wi7 s GLN 11 CO -0.06 -1.04 2.20 0.28 -0.55 0.00 0.00 175.29 176.12 1wi7 n VAL 12 N 4.12 0.00 1.12 1.34 0.31 -0.05 -3.43 118.33 121.73 1wi7 n VAL 12 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.48 1wi7 n VAL 12 Cb 0.40 -0.47 0.31 0.00 -0.91 0.00 0.00 33.84 33.16 1wi7 n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wi7 n ALA 13 N 8.04 3.33 -3.68 3.52 0.00 -1.15 -1.76 120.51 128.82 1wi7 n ALA 13 Ca 0.55 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 1wi7 n ALA 13 Cb -0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 1wi7 n ALA 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wi7 s PHE 14 N -2.76 -0.45 0.18 0.00 0.40 -1.20 -4.91 117.98 109.24 1wi7 s PHE 14 Ca 0.17 1.00 -0.31 0.00 -0.60 0.00 0.00 56.93 57.20 1wi7 s PHE 14 Cb 0.18 0.04 -0.09 0.00 0.51 0.00 0.00 43.02 43.66 1wi7 s PHE 14 CO 0.62 -0.33 1.47 -1.54 0.70 0.00 0.00 175.22 176.13 1wi7 s SER 15 N 2.04 6.68 -0.09 1.36 1.04 -1.26 -4.58 113.70 118.89 1wi7 s SER 15 Ca -0.03 2.55 0.01 0.00 0.48 0.00 0.00 55.95 58.96 1wi7 s SER 15 Cb -0.11 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1wi7 s SER 15 CO -0.09 -0.73 -0.12 -0.47 0.98 0.00 0.00 173.24 172.81 1wi7 s TYR 16 N 0.74 1.59 -0.19 5.02 6.14 0.25 -4.91 117.35 125.98 1wi7 s TYR 16 Ca 0.65 -0.68 -0.13 0.00 0.64 0.00 0.00 57.07 57.54 1wi7 s TYR 16 Cb -0.41 -1.19 -0.05 0.00 0.42 0.00 0.00 41.96 40.73 1wi7 s TYR 16 CO 0.35 -0.38 0.28 -0.51 0.64 0.00 0.00 175.55 175.92 1wi7 s LEU 17 N 1.00 4.19 -0.29 6.97 2.01 -1.26 -0.58 118.68 130.72 1wi7 s LEU 17 Ca -0.08 0.40 -0.29 0.00 0.01 0.00 0.00 54.13 54.18 1wi7 s LEU 17 Cb -0.15 -2.33 -0.00 0.00 0.01 0.00 0.00 46.19 43.72 1wi7 s LEU 17 CO -0.01 0.06 1.35 -2.16 1.01 0.00 0.00 176.35 176.60 1wi7 s PRO 18 N 0.78 3.90 0.00 1.29 0.04 -1.26 -4.86 135.00 134.89 1wi7 s PRO 18 Ca 0.15 1.31 0.21 0.00 0.04 0.00 0.00 61.00 62.71 1wi7 s PRO 18 Cb -0.13 -3.90 1.24 0.00 0.04 0.00 0.00 34.50 31.75 1wi7 s PRO 18 CO 0.04 -1.14 1.69 1.04 0.04 0.00 0.00 177.00 178.68 1wi7 n GLN 19 N 7.35 0.83 -4.30 4.56 6.02 -1.26 -4.78 117.38 125.80 1wi7 n GLN 19 Ca 0.15 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.95 1wi7 n GLN 19 Cb 0.46 -1.39 -0.09 0.00 1.02 0.00 0.00 30.24 30.24 1wi7 n GLN 19 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wi7 s ASN 20 N -1.82 1.54 -0.40 1.08 0.01 -1.26 -5.04 114.94 109.05 1wi7 s ASN 20 Ca 0.31 -1.68 0.06 0.00 -0.71 0.00 0.00 52.86 50.85 1wi7 s ASN 20 Cb 0.14 0.51 0.68 0.00 0.41 0.00 0.00 41.25 42.99 1wi7 s ASN 20 CO 0.24 -1.00 1.85 0.47 -1.51 0.00 0.00 177.10 177.15 1wi7 n ASP 21 N -1.27 3.98 -0.20 -1.22 9.92 -1.26 -3.92 116.55 122.58 1wi7 n ASP 21 Ca 0.05 -3.51 0.00 0.00 -0.53 0.00 0.00 54.79 50.80 1wi7 n ASP 21 Cb 0.63 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1wi7 n ASP 21 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wi7 n ASP 22 N -0.86 0.05 -4.64 -2.24 -0.08 -1.26 -5.09 116.55 102.42 1wi7 n ASP 22 Ca 0.52 -1.42 -0.24 0.00 -1.51 0.00 0.00 54.79 52.14 1wi7 n ASP 22 Cb 1.54 -0.08 -0.08 0.00 2.34 0.00 0.00 41.12 44.85 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 -0.04 2.17 0.14 -0.67 2.02 -1.25 -4.07 118.70 116.99 1wi7 s GLU 23 Ca 0.00 -1.62 -0.05 0.00 0.02 0.00 0.00 54.97 53.33 1wi7 s GLU 23 Cb 0.00 -2.03 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 1wi7 s GLU 23 CO 0.00 0.21 0.37 -0.51 0.02 0.00 0.00 175.26 175.35 1wi7 s LEU 24 N -3.72 4.27 -0.55 1.80 1.43 -1.25 -4.83 118.68 115.83 1wi7 s LEU 24 Ca 0.34 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 1wi7 s LEU 24 Cb -0.03 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 43.06 1wi7 s LEU 24 CO 0.20 0.06 0.46 -0.70 0.23 0.00 0.00 176.35 176.60 1wi7 s GLU 25 N -2.61 2.80 0.12 1.70 2.12 -1.26 -4.09 118.70 117.48 1wi7 s GLU 25 Ca 0.40 -1.90 -0.30 0.00 0.36 0.00 0.00 54.97 53.53 1wi7 s GLU 25 Cb -0.12 -4.10 -0.07 0.00 0.26 0.00 0.00 34.13 30.10 1wi7 s GLU 25 CO 0.24 -1.25 1.18 -0.51 -0.54 0.00 0.00 175.26 174.38 1wi7 s LEU 26 N 1.18 4.42 -0.12 2.70 1.43 0.25 -4.83 118.68 123.71 1wi7 s LEU 26 Ca 0.07 2.10 -0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1wi7 s LEU 26 Cb -0.25 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.41 1wi7 s LEU 26 CO -0.01 -0.39 -0.02 -0.54 0.23 0.00 0.00 176.35 175.63 1wi7 s LYS 27 N 0.38 0.92 -0.34 1.70 1.02 -1.26 0.86 119.74 123.01 1wi7 s LYS 27 Ca 0.55 -0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.08 1wi7 s LYS 27 Cb -0.30 -1.46 -0.13 0.00 -0.52 0.00 0.00 37.83 35.41 1wi7 s LYS 27 CO 0.33 -0.38 1.45 0.28 -0.92 0.00 0.00 175.35 176.10 1wi7 n VAL 28 N 5.05 0.00 0.00 3.17 0.31 -1.26 0.25 118.33 125.85 1wi7 n VAL 28 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1wi7 n VAL 28 Cb 0.49 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 5.01 1.99 3.60 2.92 0.00 -0.72 -5.02 105.19 112.97 1wi7 n GLY 29 Ca 0.37 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 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 0.13 1.60 -4.13 1.61 9.92 0.68 -4.62 116.55 121.74 1wi7 n ASP 30 Ca 0.00 1.16 -0.37 0.00 -0.53 0.00 0.00 54.79 55.05 1wi7 n ASP 30 Cb 0.00 -1.29 -0.11 0.00 -0.64 0.00 0.00 41.12 39.08 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 -0.54 3.47 -0.23 0.53 1.01 -1.26 -0.87 121.20 123.32 1wi7 s ILE 31 Ca 0.66 -2.11 -0.27 0.00 0.00 0.00 0.00 60.65 58.93 1wi7 s ILE 31 Cb -0.75 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1wi7 s ILE 31 CO 0.55 -0.72 0.96 -0.63 0.00 0.00 0.00 174.94 175.10 1wi7 s ILE 32 N 1.06 4.74 -1.24 2.92 1.01 -1.07 -4.80 121.20 123.82 1wi7 s ILE 32 Ca 0.09 1.87 -0.20 0.00 0.00 0.00 0.00 60.65 62.40 1wi7 s ILE 32 Cb -0.23 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.01 1wi7 s ILE 32 CO -0.04 -0.14 1.79 -1.61 0.00 0.00 0.00 174.94 174.94 1wi7 s GLU 33 N 3.04 3.46 -0.45 2.79 2.02 -1.15 -2.40 118.70 126.01 1wi7 s GLU 33 Ca 0.41 -1.64 -0.42 0.00 0.02 0.00 0.00 54.97 53.34 1wi7 s GLU 33 Cb -0.15 -5.42 -0.17 0.00 0.10 0.00 0.00 34.13 28.49 1wi7 s GLU 33 CO 0.07 -2.83 2.13 0.28 0.02 0.00 0.00 175.26 174.93 1wi7 n VAL 34 N 6.91 0.06 -0.11 2.63 0.31 0.53 -3.32 118.33 125.34 1wi7 n VAL 34 Ca 0.46 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.58 1wi7 n VAL 34 Cb 0.47 -0.82 -0.14 0.00 -0.91 0.00 0.00 33.84 32.44 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 6.56 1.46 -1.48 2.52 0.24 0.64 0.43 118.33 128.71 1wi7 n VAL 35 Ca 0.50 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1wi7 n VAL 35 Cb 0.03 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 1wi7 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wi7 n GLY 36 N 1.99 3.78 3.27 7.63 0.00 0.37 -4.89 105.19 117.33 1wi7 n GLY 36 Ca -0.39 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1wi7 n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wi7 s GLU 37 N 1.75 0.37 0.00 1.61 -6.30 -1.26 -1.37 118.70 113.50 1wi7 s GLU 37 Ca 0.00 0.89 0.00 0.00 -2.50 0.00 0.00 54.97 53.36 1wi7 s GLU 37 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 34.13 34.25 1wi7 s GLU 37 CO 0.00 -0.20 0.33 0.28 0.02 0.00 0.00 175.26 175.69 1wi7 n VAL 38 N 4.73 0.00 -4.09 3.70 0.31 -0.83 -4.74 118.33 117.41 1wi7 n VAL 38 Ca -0.17 0.66 -0.15 0.00 -0.01 0.00 0.00 64.34 64.67 1wi7 n VAL 38 Cb 0.53 -1.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.09 1wi7 n VAL 38 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1wi7 s GLU 39 N -0.99 1.92 -0.23 5.55 1.03 -0.34 -5.00 118.70 120.64 1wi7 s GLU 39 Ca 0.00 -1.76 -0.38 0.00 0.03 0.00 0.00 54.97 52.86 1wi7 s GLU 39 Cb 0.00 0.44 -0.14 0.00 -0.80 0.00 0.00 34.13 33.63 1wi7 s GLU 39 CO 0.00 -0.79 1.81 -1.91 -1.33 0.00 0.00 175.26 173.04 1wi7 n GLU 40 N -0.57 1.47 -0.79 -4.83 2.13 -1.26 0.20 120.64 117.00 1wi7 n GLU 40 Ca 0.01 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1wi7 n GLU 40 Cb 0.61 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 4.38 0.96 2.92 8.31 0.00 -1.26 -5.00 105.19 115.51 1wi7 n GLY 41 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.60 1.26 0.38 1.61 0.52 0.55 -1.96 118.94 117.70 1wi7 s TRP 42 Ca 0.00 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.68 1wi7 s TRP 42 Cb 0.00 -1.04 -0.06 0.00 -1.15 0.00 0.00 33.47 31.22 1wi7 s TRP 42 CO 0.00 -0.37 0.02 -1.58 0.02 0.00 0.00 176.95 175.04 1wi7 s TRP 43 N 1.29 2.52 -0.11 -1.98 0.51 0.35 -1.20 118.94 120.31 1wi7 s TRP 43 Ca -0.04 -0.56 0.03 0.00 -2.12 0.00 0.00 56.10 53.41 1wi7 s TRP 43 Cb -0.14 -1.65 0.01 0.00 -0.81 0.00 0.00 33.47 30.88 1wi7 s TRP 43 CO -0.03 0.44 -0.20 -2.00 -0.51 0.00 0.00 176.95 174.64 1wi7 s GLU 44 N -3.73 2.75 0.17 4.98 2.12 -0.47 -2.20 118.70 122.33 1wi7 s GLU 44 Ca 0.36 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 1wi7 s GLU 44 Cb 0.05 -2.19 0.02 0.00 0.26 0.00 0.00 34.13 32.27 1wi7 s GLU 44 CO 0.19 0.05 0.31 0.41 -0.54 0.00 0.00 175.26 175.67 1wi7 n GLY 45 N 3.88 1.92 3.75 -1.50 0.00 -1.24 -0.26 105.19 111.74 1wi7 n GLY 45 Ca -0.20 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.60 3.05 -0.37 1.61 1.01 -1.21 -3.37 120.40 118.52 1wi7 s VAL 46 Ca 0.09 -1.66 0.04 0.00 0.00 0.00 0.00 61.98 60.45 1wi7 s VAL 46 Cb -0.02 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.52 1wi7 s VAL 46 CO 0.07 -0.17 0.40 -0.22 0.00 0.00 0.00 175.10 175.17 1wi7 s LEU 47 N -3.86 -0.22 -1.23 3.92 2.96 -0.23 -2.92 118.68 117.09 1wi7 s LEU 47 Ca 0.38 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.81 1wi7 s LEU 47 Cb -0.03 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.38 1wi7 s LEU 47 CO 0.23 -0.25 1.00 0.59 -1.32 0.00 0.00 176.35 176.60 1wi7 n ASN 48 N 4.29 -2.53 0.00 3.68 3.02 -1.26 -1.71 115.26 120.75 1wi7 n ASN 48 Ca 0.11 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1wi7 n ASN 48 Cb 0.46 -5.03 0.00 0.00 -0.61 0.00 0.00 39.78 34.60 1wi7 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wi7 n GLY 49 N -1.27 2.34 3.45 7.41 0.00 -1.26 -5.00 105.19 110.85 1wi7 n GLY 49 Ca -0.25 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.07 0.26 1.61 2.20 -0.70 -5.02 119.74 116.02 1wi7 s LYS 50 Ca 0.00 0.06 -0.18 0.00 -0.36 0.00 0.00 55.97 55.49 1wi7 s LYS 50 Cb 0.00 -1.49 0.02 0.00 -1.51 0.00 0.00 37.83 34.85 1wi7 s LYS 50 CO 0.00 -4.29 0.62 0.99 -0.36 0.00 0.00 175.35 172.31 1wi7 s THR 51 N -2.63 0.00 -5.00 3.43 2.01 -1.26 -1.07 115.64 111.12 1wi7 s THR 51 Ca 0.70 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1wi7 s THR 51 Cb -0.12 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1wi7 s THR 51 CO 0.57 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1wi7 n GLY 52 N -0.42 -0.92 3.25 4.40 0.00 -1.22 -4.57 105.19 105.71 1wi7 n GLY 52 Ca -0.04 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 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 3.24 0.21 1.61 0.23 -1.26 -3.60 119.30 117.73 1wi7 s MET 53 Ca 0.00 -0.71 0.10 0.00 -1.03 0.00 0.00 55.69 54.05 1wi7 s MET 53 Cb 0.00 -2.79 -0.05 0.00 -1.53 0.00 0.00 34.83 30.47 1wi7 s MET 53 CO 0.00 -0.13 -0.18 -0.59 -2.03 0.00 0.00 175.02 172.09 1wi7 s PHE 54 N 1.21 1.98 0.22 3.16 -0.71 -0.93 -3.96 117.98 118.95 1wi7 s PHE 54 Ca 0.02 -0.45 -0.30 0.00 -1.04 0.00 0.00 56.93 55.17 1wi7 s PHE 54 Cb -0.14 -0.93 -0.09 0.00 -1.21 0.00 0.00 43.02 40.65 1wi7 s PHE 54 CO -0.05 0.47 1.10 -1.25 -1.34 0.00 0.00 175.22 174.15 1wi7 s PRO 55 N -3.21 4.62 0.00 1.99 0.04 -1.26 -0.49 135.00 136.68 1wi7 s PRO 55 Ca 0.22 1.76 0.29 0.00 0.04 0.00 0.00 61.00 63.31 1wi7 s PRO 55 Cb -0.04 -3.24 1.22 0.00 0.04 0.00 0.00 34.50 32.48 1wi7 s PRO 55 CO 0.09 0.14 1.85 0.45 0.04 0.00 0.00 177.00 179.57 1wi7 n SER 56 N 1.84 0.75 -0.98 6.66 2.88 -0.83 -3.31 113.62 120.63 1wi7 n SER 56 Ca 0.01 -0.94 0.05 0.00 -1.33 0.00 0.00 58.87 56.67 1wi7 n SER 56 Cb 0.45 -0.01 0.20 0.00 -0.75 0.00 0.00 64.21 64.10 1wi7 n SER 56 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wi7 n ASN 57 N -0.61 2.82 -2.30 -3.46 2.85 -1.26 -3.77 115.26 109.52 1wi7 n ASN 57 Ca 0.17 -2.23 0.01 0.00 -0.11 0.00 0.00 54.58 52.42 1wi7 n ASN 57 Cb 0.28 -0.42 0.04 0.00 1.24 0.00 0.00 39.78 40.92 1wi7 n ASN 57 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1wi7 n PHE 58 N 0.54 0.81 -4.00 1.20 3.01 -1.21 -5.05 117.46 112.76 1wi7 n PHE 58 Ca 0.14 -1.53 -0.05 0.00 1.01 0.00 0.00 57.45 57.02 1wi7 n PHE 58 Cb 0.53 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.78 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 -0.21 0.00 -3.32 4.37 -6.64 -1.25 -2.91 119.36 109.41 1wi7 n ILE 59 Ca 0.08 -0.63 -0.11 0.00 -1.77 0.00 0.00 62.75 60.32 1wi7 n ILE 59 Cb 0.93 0.33 -0.07 0.00 -1.44 0.00 0.00 39.64 39.39 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 -2.34 0.44 0.84 6.28 -2.85 -1.22 -4.67 119.74 116.22 1wi7 s LYS 60 Ca 0.10 -0.04 -0.17 0.00 -1.00 0.00 0.00 55.97 54.87 1wi7 s LYS 60 Cb 0.00 -0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 35.23 1wi7 s LYS 60 CO 0.07 -1.06 -0.61 0.39 0.10 0.00 0.00 175.35 174.24 1wi7 n GLU 61 N 5.20 0.00 -3.80 1.78 4.71 -1.26 -2.92 120.64 124.34 1wi7 n GLU 61 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.04 1wi7 n GLU 61 Cb 0.49 -0.97 -0.12 0.00 -1.01 0.00 0.00 31.44 29.83 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 6.99 1.24 -0.03 -4.62 1.43 -1.14 -4.80 118.68 117.74 1wi7 s LEU 62 Ca 0.43 0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.61 1wi7 s LEU 62 Cb -0.25 0.60 0.06 0.00 0.03 0.00 0.00 46.19 46.63 1wi7 s LEU 62 CO 0.76 -0.07 0.62 -0.55 0.23 0.00 0.00 176.35 177.34 1wi7 s SER 63 N 0.21 -0.58 0.00 2.29 0.15 -1.26 -4.65 113.70 109.86 1wi7 s SER 63 Ca -0.01 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1wi7 s SER 63 Cb -0.02 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wi7 s SER 63 CO -0.01 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1wi7 n GLY 64 N 0.85 1.59 3.75 9.45 0.00 -1.26 -4.99 105.19 114.58 1wi7 n GLY 64 Ca -0.19 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1wi7 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi7 s PRO 65 N -3.49 4.63 0.46 1.61 0.04 -1.26 -5.00 135.00 131.99 1wi7 s PRO 65 Ca 0.00 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1wi7 s PRO 65 Cb 0.00 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 1wi7 s PRO 65 CO 0.00 0.17 1.32 0.45 0.04 0.00 0.00 177.00 178.98 1wi7 s SER 66 N -0.60 5.95 0.34 6.66 0.15 -1.26 -4.81 113.70 120.13 1wi7 s SER 66 Ca 0.46 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.79 1wi7 s SER 66 Cb -0.31 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 1wi7 s SER 66 CO 0.38 -1.10 0.00 -0.24 1.20 0.00 0.00 173.24 173.48 1wi7 n SER 67 N -0.31 -3.05 0.00 5.45 2.88 -1.26 -5.31 113.62 112.02 1wi7 n SER 67 Ca 0.06 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1wi7 n SER 67 Cb 0.44 2.96 0.00 0.00 -0.75 0.00 0.00 64.21 66.86 1wi7 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42