#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi7 n SER 2 N 0.00 0.23 -2.67 1.61 2.88 -1.26 -5.07 113.62 109.34 1wi7 n SER 2 Ca 0.00 0.24 -0.02 0.00 -1.33 0.00 0.00 58.87 57.76 1wi7 n SER 2 Cb 0.00 0.08 0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1wi7 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi7 s SER 3 N -5.27 -0.15 0.00 -3.46 0.15 -1.25 -5.02 113.70 98.70 1wi7 s SER 3 Ca 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1wi7 s SER 3 Cb 0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wi7 s SER 3 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wi7 n GLY 4 N 2.84 0.82 1.06 9.45 0.00 -1.26 -2.58 105.19 115.52 1wi7 n GLY 4 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 1.95 0.00 -4.54 1.61 2.88 -1.26 -5.05 113.62 109.21 1wi7 n SER 5 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1wi7 n SER 5 Cb 0.00 0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1wi7 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi7 n SER 6 N -2.03 2.27 0.00 -3.46 7.64 -1.06 -4.74 113.62 112.24 1wi7 n SER 6 Ca 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1wi7 n SER 6 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 1wi7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi7 n GLY 7 N 6.07 2.23 3.18 0.23 0.00 -1.26 -3.90 105.19 111.74 1wi7 n GLY 7 Ca 0.39 0.35 -0.16 0.00 0.00 0.00 0.00 46.02 46.60 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 0.85 0.04 1.61 1.81 -0.75 -4.94 118.95 117.57 1wi7 s ARG 8 Ca 0.00 -1.11 0.05 0.00 -1.72 0.00 0.00 55.73 52.96 1wi7 s ARG 8 Cb 0.00 -0.65 -0.02 0.00 -0.45 0.00 0.00 34.95 33.83 1wi7 s ARG 8 CO 0.00 0.12 -0.15 1.03 -0.68 0.00 0.00 175.30 175.62 1wi7 s ARG 9 N -2.47 0.97 -0.03 3.54 0.52 -1.26 0.12 118.95 120.34 1wi7 s ARG 9 Ca 0.04 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.30 1wi7 s ARG 9 Cb -0.05 -1.00 0.02 0.00 0.52 0.00 0.00 34.95 34.44 1wi7 s ARG 9 CO 0.01 0.25 0.30 0.00 0.02 0.00 0.00 175.30 175.87 1wi7 s GLN 11 N -1.09 3.31 -0.16 0.00 0.74 -0.14 -2.60 119.66 119.73 1wi7 s GLN 11 Ca -0.11 -0.55 -0.15 0.00 0.05 0.00 0.00 55.36 54.59 1wi7 s GLN 11 Cb -0.05 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1wi7 s GLN 11 CO 0.03 0.57 0.34 0.08 -0.55 0.00 0.00 175.29 175.76 1wi7 s VAL 12 N -1.57 5.27 -0.16 1.34 1.01 -1.10 0.15 120.40 125.34 1wi7 s VAL 12 Ca 0.34 0.64 0.18 0.00 0.00 0.00 0.00 61.98 63.14 1wi7 s VAL 12 Cb -0.12 -3.68 -0.27 0.00 0.00 0.00 0.00 36.38 32.31 1wi7 s VAL 12 CO 0.27 0.36 0.46 0.00 0.00 0.00 0.00 175.10 176.18 1wi7 n ALA 13 N 3.73 2.94 -3.71 5.51 0.00 -1.22 -1.64 120.51 126.11 1wi7 n ALA 13 Ca -0.10 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1wi7 n ALA 13 Cb 0.52 -0.62 -0.18 0.00 0.00 0.00 0.00 19.45 19.17 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 -3.16 0.38 0.25 0.00 0.40 -1.23 -4.81 117.98 109.81 1wi7 s PHE 14 Ca -0.04 -0.03 -0.31 0.00 -0.60 0.00 0.00 56.93 55.95 1wi7 s PHE 14 Cb 0.12 -0.66 -0.11 0.00 0.51 0.00 0.00 43.02 42.87 1wi7 s PHE 14 CO 0.75 -0.30 1.63 -1.54 0.70 0.00 0.00 175.22 176.46 1wi7 s SER 15 N 2.07 6.40 -0.11 1.36 1.04 -1.26 -4.62 113.70 118.57 1wi7 s SER 15 Ca 0.04 2.89 0.02 0.00 0.48 0.00 0.00 55.95 59.38 1wi7 s SER 15 Cb -0.13 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.39 1wi7 s SER 15 CO -0.05 -0.92 -0.17 -0.47 0.98 0.00 0.00 173.24 172.62 1wi7 s TYR 16 N 0.47 2.07 -0.19 5.02 6.14 0.19 -4.91 117.35 126.14 1wi7 s TYR 16 Ca 0.67 -0.96 -0.12 0.00 0.64 0.00 0.00 57.07 57.30 1wi7 s TYR 16 Cb -0.48 -1.47 -0.05 0.00 0.42 0.00 0.00 41.96 40.38 1wi7 s TYR 16 CO 0.41 -0.48 0.21 -0.51 0.64 0.00 0.00 175.55 175.83 1wi7 s LEU 17 N 0.89 4.21 -0.32 6.97 2.01 -1.26 -0.23 118.68 130.95 1wi7 s LEU 17 Ca -0.08 0.34 -0.29 0.00 0.01 0.00 0.00 54.13 54.11 1wi7 s LEU 17 Cb -0.15 -2.23 0.00 0.00 0.01 0.00 0.00 46.19 43.82 1wi7 s LEU 17 CO -0.00 0.12 1.37 -2.16 1.01 0.00 0.00 176.35 176.68 1wi7 s PRO 18 N 0.55 3.80 0.00 1.29 0.04 -1.26 -4.86 135.00 134.57 1wi7 s PRO 18 Ca 0.12 1.20 0.13 0.00 0.04 0.00 0.00 61.00 62.49 1wi7 s PRO 18 Cb -0.12 -3.94 0.80 0.00 0.04 0.00 0.00 34.50 31.28 1wi7 s PRO 18 CO 0.02 -1.27 1.46 1.04 0.04 0.00 0.00 177.00 178.29 1wi7 n GLN 19 N 7.57 0.94 0.00 4.56 6.02 -1.26 -4.78 117.38 130.42 1wi7 n GLN 19 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1wi7 n GLN 19 Cb 0.47 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1wi7 n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wi7 n ASN 20 N -0.72 0.83 -0.21 1.08 4.13 -1.26 -5.06 115.26 114.04 1wi7 n ASN 20 Ca 0.10 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.43 1wi7 n ASN 20 Cb 0.05 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.38 1wi7 n ASN 20 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1wi7 n ASP 21 N 0.00 1.57 -0.19 6.41 2.03 -1.26 -4.61 116.55 120.50 1wi7 n ASP 21 Ca 0.00 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.58 1wi7 n ASP 21 Cb 0.00 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1wi7 n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wi7 n ASP 22 N -0.96 0.08 -4.77 1.67 2.03 -1.26 -5.09 116.55 108.24 1wi7 n ASP 22 Ca 0.11 -1.44 -0.23 0.00 0.52 0.00 0.00 54.79 53.75 1wi7 n ASP 22 Cb 0.66 -0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.92 1wi7 n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wi7 s GLU 23 N -0.06 2.76 0.16 -0.67 2.02 -1.26 -3.85 118.70 117.79 1wi7 s GLU 23 Ca 0.00 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.76 1wi7 s GLU 23 Cb 0.00 -2.47 -0.07 0.00 0.10 0.00 0.00 34.13 31.70 1wi7 s GLU 23 CO 0.00 0.40 0.49 -0.51 0.02 0.00 0.00 175.26 175.66 1wi7 s LEU 24 N -3.72 4.27 -0.57 1.80 1.43 -1.24 -4.80 118.68 115.85 1wi7 s LEU 24 Ca 0.32 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 1wi7 s LEU 24 Cb -0.08 -3.34 0.14 0.00 0.03 0.00 0.00 46.19 42.94 1wi7 s LEU 24 CO 0.23 0.05 0.48 -0.70 0.23 0.00 0.00 176.35 176.65 1wi7 s GLU 25 N -2.33 2.87 0.34 1.70 2.12 -1.26 -4.16 118.70 117.99 1wi7 s GLU 25 Ca 0.40 -1.91 -0.27 0.00 0.36 0.00 0.00 54.97 53.55 1wi7 s GLU 25 Cb -0.13 -4.15 -0.09 0.00 0.26 0.00 0.00 34.13 30.02 1wi7 s GLU 25 CO 0.20 -1.26 1.09 -0.51 -0.54 0.00 0.00 175.26 174.23 1wi7 s LEU 26 N 1.16 4.34 -0.06 2.70 1.43 0.68 -4.83 118.68 124.11 1wi7 s LEU 26 Ca 0.07 2.18 -0.02 0.00 -1.03 0.00 0.00 54.13 55.33 1wi7 s LEU 26 Cb -0.25 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.10 1wi7 s LEU 26 CO -0.01 -0.35 0.10 -0.54 0.23 0.00 0.00 176.35 175.78 1wi7 s LYS 27 N -1.98 -0.03 -0.51 1.70 -0.14 -1.26 0.53 119.74 118.04 1wi7 s LYS 27 Ca 0.51 0.44 -0.33 0.00 -1.36 0.00 0.00 55.97 55.24 1wi7 s LYS 27 Cb -0.28 -0.41 -0.16 0.00 -1.68 0.00 0.00 37.83 35.31 1wi7 s LYS 27 CO 0.35 -0.31 1.84 0.28 -0.76 0.00 0.00 175.35 176.75 1wi7 n VAL 28 N 5.25 0.00 0.00 3.17 0.31 -1.26 0.01 118.33 125.81 1wi7 n VAL 28 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1wi7 n VAL 28 Cb 0.50 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 5.85 1.83 3.98 2.92 0.00 -0.65 -5.00 105.19 114.11 1wi7 n GLY 29 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 1wi7 n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wi7 s ASP 30 N -2.00 5.27 -0.36 1.61 -1.08 0.10 -4.87 116.67 115.34 1wi7 s ASP 30 Ca 0.00 -0.11 0.02 0.00 -0.52 0.00 0.00 52.55 51.94 1wi7 s ASP 30 Cb 0.00 -0.76 0.15 0.00 -1.46 0.00 0.00 42.92 40.85 1wi7 s ASP 30 CO 0.00 -1.14 0.33 -0.63 0.52 0.00 0.00 175.17 174.26 1wi7 s ILE 31 N -2.73 -0.24 -0.37 4.11 1.01 -1.26 -2.71 121.20 119.02 1wi7 s ILE 31 Ca 0.58 -1.10 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1wi7 s ILE 31 Cb -0.10 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1wi7 s ILE 31 CO 0.38 -0.66 0.62 -0.63 0.00 0.00 0.00 174.94 174.65 1wi7 s ILE 32 N 1.44 4.90 -1.03 2.92 1.01 -1.07 -4.49 121.20 124.88 1wi7 s ILE 32 Ca 0.16 0.47 -0.25 0.00 0.00 0.00 0.00 60.65 61.03 1wi7 s ILE 32 Cb -0.17 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 1wi7 s ILE 32 CO -0.05 -0.35 2.05 -1.61 0.00 0.00 0.00 174.94 174.97 1wi7 s GLU 33 N 2.69 2.11 -0.42 2.79 2.02 -0.57 -3.39 118.70 123.92 1wi7 s GLU 33 Ca 0.23 -0.52 -0.41 0.00 0.02 0.00 0.00 54.97 54.29 1wi7 s GLU 33 Cb -0.15 -5.07 -0.16 0.00 0.10 0.00 0.00 34.13 28.85 1wi7 s GLU 33 CO 0.15 -4.20 2.04 0.28 0.02 0.00 0.00 175.26 173.55 1wi7 n VAL 34 N 8.23 0.10 -0.12 2.63 0.31 0.32 -3.02 118.33 126.78 1wi7 n VAL 34 Ca 0.43 -0.09 -0.24 0.00 -0.01 0.00 0.00 64.34 64.44 1wi7 n VAL 34 Cb 0.46 -0.96 -0.11 0.00 -0.91 0.00 0.00 33.84 32.32 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 6.17 1.54 -0.28 2.52 0.24 0.08 -1.81 118.33 126.78 1wi7 n VAL 35 Ca 0.44 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1wi7 n VAL 35 Cb 0.06 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 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 1.73 4.47 3.28 7.63 0.00 -0.12 -4.87 105.19 117.32 1wi7 n GLY 36 Ca -0.47 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 4.39 0.44 0.00 1.61 -6.30 -1.26 -2.44 118.70 115.15 1wi7 s GLU 37 Ca 0.00 0.60 0.00 0.00 -2.50 0.00 0.00 54.97 53.07 1wi7 s GLU 37 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 34.13 34.29 1wi7 s GLU 37 CO 0.00 -0.08 0.00 0.28 0.02 0.00 0.00 175.26 175.48 1wi7 n VAL 38 N 3.19 0.00 -4.11 3.70 0.31 -0.88 -4.70 118.33 115.85 1wi7 n VAL 38 Ca -0.16 0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 64.44 1wi7 n VAL 38 Cb 0.57 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.78 1.60 -0.25 5.55 -1.05 -0.52 -5.00 118.70 118.25 1wi7 s GLU 39 Ca 0.00 -1.59 -0.36 0.00 -0.15 0.00 0.00 54.97 52.87 1wi7 s GLU 39 Cb 0.00 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 33.96 1wi7 s GLU 39 CO 0.00 -0.63 1.96 -1.91 0.95 0.00 0.00 175.26 175.64 1wi7 n GLU 40 N -0.43 1.43 -0.15 -4.83 2.13 -1.26 0.20 120.64 117.72 1wi7 n GLU 40 Ca 0.01 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1wi7 n GLU 40 Cb 0.63 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.93 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 5.19 1.24 3.10 8.31 0.00 -1.26 -5.01 105.19 116.77 1wi7 n GLY 41 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.64 1.90 0.36 1.61 0.52 0.52 -1.01 118.94 120.21 1wi7 s TRP 42 Ca 0.00 -0.74 0.08 0.00 0.02 0.00 0.00 56.10 55.46 1wi7 s TRP 42 Cb 0.00 -1.33 -0.07 0.00 -1.15 0.00 0.00 33.47 30.92 1wi7 s TRP 42 CO 0.00 -0.33 -0.06 -1.58 0.02 0.00 0.00 176.95 175.00 1wi7 s TRP 43 N 0.53 2.40 -0.10 -1.98 0.51 0.10 -1.43 118.94 118.97 1wi7 s TRP 43 Ca -0.16 -0.58 0.03 0.00 -2.12 0.00 0.00 56.10 53.27 1wi7 s TRP 43 Cb -0.17 -1.49 0.01 0.00 -0.81 0.00 0.00 33.47 31.01 1wi7 s TRP 43 CO 0.06 0.51 -0.20 -2.00 -0.51 0.00 0.00 176.95 174.81 1wi7 s GLU 44 N -3.66 2.67 0.00 4.98 2.12 -1.02 -1.79 118.70 122.00 1wi7 s GLU 44 Ca 0.33 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1wi7 s GLU 44 Cb 0.05 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1wi7 s GLU 44 CO 0.17 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1wi7 n GLY 45 N 3.77 3.45 3.08 -1.50 0.00 -1.24 -0.74 105.19 112.01 1wi7 n GLY 45 Ca -0.20 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.30 1.46 -0.95 1.61 1.01 -1.17 -3.47 120.40 116.60 1wi7 s VAL 46 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1wi7 s VAL 46 Cb 0.00 -1.31 0.24 0.00 0.00 0.00 0.00 36.38 35.31 1wi7 s VAL 46 CO 0.00 0.43 0.89 -0.22 0.00 0.00 0.00 175.10 176.20 1wi7 s LEU 47 N 0.68 6.15 -0.99 3.92 2.96 -0.92 -1.52 118.68 128.96 1wi7 s LEU 47 Ca -0.13 -3.36 -0.03 0.00 -0.22 0.00 0.00 54.13 50.39 1wi7 s LEU 47 Cb -0.16 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1wi7 s LEU 47 CO 0.03 -0.33 0.85 0.59 -1.32 0.00 0.00 176.35 176.17 1wi7 n ASN 48 N 2.96 -4.35 0.00 3.68 3.02 -1.26 -2.41 115.26 116.91 1wi7 n ASN 48 Ca 0.20 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1wi7 n ASN 48 Cb 0.40 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 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 -1.20 2.56 3.38 7.41 0.00 -1.26 -5.00 105.19 111.08 1wi7 n GLY 49 Ca -0.15 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.66 -0.03 1.61 2.47 -1.01 -4.99 119.74 115.13 1wi7 s LYS 50 Ca 0.00 -0.05 -0.30 0.00 -1.56 0.00 0.00 55.97 54.06 1wi7 s LYS 50 Cb 0.00 -1.43 0.08 0.00 -1.46 0.00 0.00 37.83 35.02 1wi7 s LYS 50 CO 0.00 -4.66 0.70 0.99 0.16 0.00 0.00 175.35 172.54 1wi7 s THR 51 N -2.53 0.00 -2.61 3.43 2.01 -1.26 -2.17 115.64 112.51 1wi7 s THR 51 Ca 0.70 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1wi7 s THR 51 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1wi7 s THR 51 CO 0.56 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1wi7 n GLY 52 N 0.70 -1.53 3.43 4.40 0.00 -1.23 -4.76 105.19 106.21 1wi7 n GLY 52 Ca -0.18 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.32 3.57 0.11 1.61 0.23 -1.25 -3.59 119.30 118.67 1wi7 s MET 53 Ca 0.00 -0.54 0.05 0.00 -1.03 0.00 0.00 55.69 54.16 1wi7 s MET 53 Cb 0.00 -3.03 -0.04 0.00 -1.53 0.00 0.00 34.83 30.24 1wi7 s MET 53 CO 0.00 0.02 -0.12 -0.59 -2.03 0.00 0.00 175.02 172.30 1wi7 s PHE 54 N 0.97 1.23 0.05 3.16 -0.71 -0.74 -3.71 117.98 118.24 1wi7 s PHE 54 Ca 0.01 -0.63 -0.30 0.00 -1.04 0.00 0.00 56.93 54.97 1wi7 s PHE 54 Cb -0.14 -0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 40.96 1wi7 s PHE 54 CO 0.01 0.07 1.17 -1.25 -1.34 0.00 0.00 175.22 173.89 1wi7 s PRO 55 N -2.87 4.45 0.00 1.99 0.04 -1.26 0.02 135.00 137.38 1wi7 s PRO 55 Ca 0.08 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.94 1wi7 s PRO 55 Cb -0.03 -3.36 0.39 0.00 0.04 0.00 0.00 34.50 31.54 1wi7 s PRO 55 CO 0.01 -0.23 1.28 -1.13 0.04 0.00 0.00 177.00 176.98 1wi7 n SER 56 N 3.91 0.83 -1.48 6.66 3.41 -0.18 -3.15 113.62 123.62 1wi7 n SER 56 Ca 0.08 -1.86 0.08 0.00 -0.26 0.00 0.00 58.87 56.92 1wi7 n SER 56 Cb 0.47 -0.09 0.34 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.11 4.81 -2.03 4.04 5.15 -1.26 -4.24 115.26 121.62 1wi7 n ASN 57 Ca 0.08 -2.72 0.02 0.00 -0.60 0.00 0.00 54.58 51.36 1wi7 n ASN 57 Cb 0.15 -0.59 0.03 0.00 -0.53 0.00 0.00 39.78 38.84 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 0.53 0.43 -3.98 1.20 3.01 -1.19 -5.09 117.46 112.38 1wi7 n PHE 58 Ca 0.25 -1.17 -0.05 0.00 1.01 0.00 0.00 57.45 57.49 1wi7 n PHE 58 Cb 0.97 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 40.32 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 -0.00 0.00 -3.43 4.37 -6.64 -1.26 -3.46 119.36 108.93 1wi7 n ILE 59 Ca 0.04 -0.62 -0.17 0.00 -1.77 0.00 0.00 62.75 60.24 1wi7 n ILE 59 Cb 0.99 0.33 -0.11 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 -2.33 0.27 1.06 6.28 -2.85 0.40 -4.70 119.74 117.87 1wi7 s LYS 60 Ca 0.10 0.08 -0.22 0.00 -1.00 0.00 0.00 55.97 54.94 1wi7 s LYS 60 Cb 0.00 -0.86 -0.01 0.00 -2.06 0.00 0.00 37.83 34.91 1wi7 s LYS 60 CO 0.07 -0.83 -0.58 -0.85 0.10 0.00 0.00 175.35 173.26 1wi7 n GLU 61 N 5.32 -1.03 -3.60 1.78 0.28 -1.26 -0.96 120.64 121.17 1wi7 n GLU 61 Ca -0.04 -0.29 -0.22 0.00 -0.16 0.00 0.00 57.16 56.45 1wi7 n GLU 61 Cb 0.48 -1.40 -0.16 0.00 1.43 0.00 0.00 31.44 31.79 1wi7 n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wi7 s LEU 62 N 2.55 0.13 -0.82 -1.84 1.43 -1.20 -4.59 118.68 114.35 1wi7 s LEU 62 Ca 0.46 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 1wi7 s LEU 62 Cb -0.02 0.01 0.13 0.00 0.03 0.00 0.00 46.19 46.34 1wi7 s LEU 62 CO 0.62 -0.31 0.99 -0.55 0.23 0.00 0.00 176.35 177.33 1wi7 s SER 63 N 2.22 6.49 0.97 2.29 0.15 -1.26 -4.79 113.70 119.76 1wi7 s SER 63 Ca 0.04 -1.83 -0.11 0.00 0.70 0.00 0.00 55.95 54.75 1wi7 s SER 63 Cb -0.15 -2.37 0.15 0.00 -1.71 0.00 0.00 66.02 61.95 1wi7 s SER 63 CO -0.08 -1.08 0.99 0.61 1.20 0.00 0.00 173.24 174.87 1wi7 n GLY 64 N 5.26 -0.91 3.57 9.45 0.00 -1.26 -4.84 105.19 116.47 1wi7 n GLY 64 Ca 0.12 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.43 3.14 -0.43 1.61 0.04 -1.26 -4.78 135.00 128.89 1wi7 s PRO 65 Ca 0.65 -1.02 0.05 0.00 0.04 0.00 0.00 61.00 60.72 1wi7 s PRO 65 Cb -0.23 -5.28 0.17 0.00 0.04 0.00 0.00 34.50 29.21 1wi7 s PRO 65 CO 0.61 -2.90 0.41 0.45 0.04 0.00 0.00 177.00 175.61 1wi7 n SER 66 N 11.37 -1.03 0.36 6.66 2.88 -1.26 -5.00 113.62 127.60 1wi7 n SER 66 Ca 0.40 -2.47 -0.17 0.00 -1.33 0.00 0.00 58.87 55.30 1wi7 n SER 66 Cb 0.48 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.72 1wi7 n SER 66 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wi7 h SER 67 N 5.50 -0.78 0.00 -3.46 0.02 -2.01 -3.55 113.55 109.27 1wi7 h SER 67 Ca 0.23 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1wi7 h SER 67 Cb 0.95 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1wi7 h SER 67 CO 0.31 -0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.14