#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl s LEU 10 N 0.00 2.50 0.00 -4.62 2.34 -1.24 -4.13 118.68 113.52 2wwl s LEU 10 Ca 0.00 -0.94 0.00 0.00 0.06 0.00 0.00 54.13 53.25 2wwl s LEU 10 Cb 0.00 -0.79 0.00 0.00 -0.56 0.00 0.00 46.19 44.84 2wwl s LEU 10 CO 0.00 -0.08 0.00 1.67 -1.06 0.00 0.00 176.35 176.88 2wwl n GLN 11 N -0.04 0.00 -1.84 1.48 7.27 -1.26 -4.73 117.38 118.26 2wwl n GLN 11 Ca -0.10 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.56 2wwl n GLN 11 Cb 0.59 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.24 2wwl n GLN 11 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2wwl s GLU 12 N 0.00 3.94 0.13 3.69 2.02 -1.26 -2.27 118.70 124.95 2wwl s GLU 12 Ca 0.00 2.46 -0.17 0.00 0.02 0.00 0.00 54.97 57.28 2wwl s GLU 12 Cb 0.00 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.44 2wwl s GLU 12 CO 0.00 -0.63 0.43 0.15 0.02 0.00 0.00 175.26 175.23 2wwl s LYS 13 N -2.24 1.10 0.22 1.61 1.02 -1.08 -4.96 119.74 115.41 2wwl s LYS 13 Ca 0.56 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.89 2wwl s LYS 13 Cb -0.44 0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 2wwl s LYS 13 CO 0.59 -0.44 0.04 -0.48 -0.92 0.00 0.00 175.35 174.13 2wwl s LEU 14 N -2.80 1.95 0.00 3.17 2.34 -1.26 -3.23 118.68 118.85 2wwl s LEU 14 Ca 0.03 -1.26 0.00 0.00 0.06 0.00 0.00 54.13 52.96 2wwl s LEU 14 Cb 0.01 -0.07 0.00 0.00 -0.56 0.00 0.00 46.19 45.58 2wwl s LEU 14 CO -0.12 -0.62 0.00 -0.38 -1.06 0.00 0.00 176.35 174.17 2wwl n ILE 15 N -0.36 0.00 -2.52 1.48 5.41 -0.88 -4.73 119.36 117.76 2wwl n ILE 15 Ca -0.04 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.47 2wwl n ILE 15 Cb 0.64 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.69 2wwl n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wwl s ALA 16 N -2.00 3.56 0.00 -1.39 0.00 -0.95 -4.96 121.76 116.02 2wwl s ALA 16 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2wwl s ALA 16 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2wwl s ALA 16 CO 0.00 -1.52 0.00 1.55 0.00 0.00 0.00 175.76 175.79 2wwl n VAL 17 N -2.90 0.00 -2.56 0.00 3.14 -1.26 -2.80 118.33 111.94 2wwl n VAL 17 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2wwl n VAL 17 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 2wwl n VAL 17 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2wwl n ASN 18 N 0.00 0.00 -4.16 6.55 6.94 -1.06 -4.99 115.26 118.54 2wwl n ASN 18 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 2wwl n ASN 18 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 2wwl n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wwl s ARG 19 N -0.32 0.80 0.24 -3.83 1.70 -1.26 -2.92 118.95 113.35 2wwl s ARG 19 Ca 0.00 -1.32 0.01 0.00 -0.47 0.00 0.00 55.73 53.95 2wwl s ARG 19 Cb 0.00 -0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 2wwl s ARG 19 CO 0.00 -0.03 0.16 0.14 -1.08 0.00 0.00 175.30 174.49 2wwl s VAL 20 N -3.64 0.05 0.00 4.99 -7.23 -0.26 -4.92 120.40 109.39 2wwl s VAL 20 Ca 0.11 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 2wwl s VAL 20 Cb 0.05 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.53 2wwl s VAL 20 CO -0.05 0.00 0.46 -0.44 -0.31 0.00 0.00 175.10 174.76 2wwl s SER 21 N -3.22 -0.37 0.15 4.85 0.01 -1.26 -2.74 113.70 111.10 2wwl s SER 21 Ca 0.39 0.24 0.07 0.00 1.31 0.00 0.00 55.95 57.96 2wwl s SER 21 Cb 0.06 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 2wwl s SER 21 CO 0.16 -0.59 -0.15 -0.75 0.41 0.00 0.00 173.24 172.32 2wwl s LYS 22 N -1.75 1.13 -0.32 12.44 2.20 -1.26 -4.98 119.74 127.20 2wwl s LYS 22 Ca -0.10 -1.35 -0.10 0.00 -0.36 0.00 0.00 55.97 54.07 2wwl s LYS 22 Cb -0.02 -1.01 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2wwl s LYS 22 CO 0.03 0.19 0.16 0.99 -0.36 0.00 0.00 175.35 176.36 2wwl s THR 23 N -2.35 4.65 0.15 3.43 2.01 -1.26 -1.96 115.64 120.31 2wwl s THR 23 Ca 0.13 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 2wwl s THR 23 Cb -0.04 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.09 2wwl s THR 23 CO 0.04 0.04 1.57 0.58 -0.69 0.00 0.00 174.62 176.16 2wwl h VAL 24 N 5.66 1.27 0.00 3.82 2.07 -1.46 -3.43 116.25 124.18 2wwl h VAL 24 Ca -0.32 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2wwl h VAL 24 Cb 1.14 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2wwl h VAL 24 CO 0.62 0.42 0.00 2.29 0.02 0.00 0.00 177.57 180.92 2wwl n LYS 25 N -4.25 0.00 0.00 1.57 2.85 -1.26 -4.93 118.16 112.14 2wwl n LYS 25 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wwl n LYS 25 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 2wwl n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wwl n GLY 26 N 0.00 1.17 3.92 2.58 0.00 -1.26 -5.13 105.19 106.47 2wwl n GLY 26 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2wwl n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wwl s GLY 27 N 0.00 1.67 0.01 -0.02 0.00 -1.26 -5.09 107.32 102.63 2wwl s GLY 27 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 2wwl s GLY 27 CO 0.00 -0.38 -0.02 0.50 0.00 0.00 0.00 173.10 173.20 2wwl s ARG 28 N -5.52 0.22 0.43 2.90 0.52 -1.26 -1.07 118.95 115.17 2wwl s ARG 28 Ca 0.64 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.51 2wwl s ARG 28 Cb -0.09 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.46 2wwl s ARG 28 CO 0.48 -0.04 0.52 0.96 0.02 0.00 0.00 175.30 177.24 2wwl s ILE 29 N -1.01 2.84 0.00 1.52 -4.36 -0.83 -4.94 121.20 114.42 2wwl s ILE 29 Ca -0.11 -1.12 0.03 0.00 -0.26 0.00 0.00 60.65 59.19 2wwl s ILE 29 Cb -0.07 -2.96 0.05 0.00 1.25 0.00 0.00 42.46 40.73 2wwl s ILE 29 CO -0.01 0.00 0.81 0.49 0.24 0.00 0.00 174.94 176.48 2wwl n PHE 30 N -1.77 0.00 -1.35 1.37 3.01 -1.25 -4.14 117.46 113.32 2wwl n PHE 30 Ca 0.07 -0.23 -0.53 0.00 1.01 0.00 0.00 57.45 57.77 2wwl n PHE 30 Cb 0.60 0.26 -0.07 0.00 -0.01 0.00 0.00 39.48 40.26 2wwl n PHE 30 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2wwl n SER 31 N 0.05 0.43 -4.49 4.37 2.88 -1.11 -4.41 113.62 111.35 2wwl n SER 31 Ca -0.09 0.99 -0.43 0.00 -1.33 0.00 0.00 58.87 58.00 2wwl n SER 31 Cb 0.67 -0.76 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 2wwl n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2wwl s PHE 32 N 1.09 2.74 0.26 0.66 0.40 0.61 -1.11 117.98 122.63 2wwl s PHE 32 Ca 0.82 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 2wwl s PHE 32 Cb -1.15 -4.15 -0.06 0.00 0.51 0.00 0.00 43.02 38.18 2wwl s PHE 32 CO 0.57 -1.48 -0.05 0.99 0.70 0.00 0.00 175.22 175.95 2wwl s THR 33 N 3.97 1.47 0.00 0.64 2.01 -1.15 -2.73 115.64 119.85 2wwl s THR 33 Ca 0.26 -2.10 0.00 0.00 0.31 0.00 0.00 61.69 60.16 2wwl s THR 33 Cb -0.15 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2wwl s THR 33 CO 0.15 -0.34 0.00 0.00 -0.69 0.00 0.00 174.62 173.74 2wwl n ALA 34 N -0.52 0.00 -2.42 7.40 0.00 -1.26 -2.56 120.51 121.15 2wwl n ALA 34 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 2wwl n ALA 34 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 2wwl n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wwl s LEU 35 N 0.00 2.42 0.29 0.00 1.43 -1.12 -3.45 118.68 118.26 2wwl s LEU 35 Ca 0.00 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 2wwl s LEU 35 Cb 0.00 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2wwl s LEU 35 CO 0.00 0.17 0.24 0.42 0.23 0.00 0.00 176.35 177.41 2wwl s THR 36 N -1.14 0.00 -0.16 5.49 -4.23 -1.25 -2.07 115.64 112.28 2wwl s THR 36 Ca 0.16 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 2wwl s THR 36 Cb -0.10 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.28 2wwl s THR 36 CO 0.07 0.00 0.47 0.54 -0.54 0.00 0.00 174.62 175.17 2wwl s VAL 37 N -3.65 0.01 -0.08 2.29 0.11 -1.20 -4.44 120.40 113.44 2wwl s VAL 37 Ca 0.40 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2wwl s VAL 37 Cb 0.04 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2wwl s VAL 37 CO 0.23 -0.02 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.13 2wwl s VAL 38 N 0.04 2.92 0.86 2.04 1.01 -1.26 -2.62 120.40 123.39 2wwl s VAL 38 Ca -0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 2wwl s VAL 38 Cb -0.03 -2.17 0.17 0.00 0.00 0.00 0.00 36.38 34.35 2wwl s VAL 38 CO 0.01 0.56 1.19 -0.83 0.00 0.00 0.00 175.10 176.03 2wwl s GLY 39 N -0.23 1.77 0.00 4.51 0.00 -0.96 -4.46 107.32 107.94 2wwl s GLY 39 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2wwl s GLY 39 CO 0.03 -0.75 0.00 1.22 0.00 0.00 0.00 173.10 173.60 2wwl n ASP 40 N -3.38 0.87 0.00 1.64 8.00 -1.22 -3.65 116.55 118.82 2wwl n ASP 40 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2wwl n ASP 40 Cb 0.60 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2wwl n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wwl n GLY 41 N 0.48 0.79 0.00 0.44 0.00 -0.70 -4.44 105.19 101.76 2wwl n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wwl n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wwl n ASN 42 N 0.00 0.00 0.00 1.61 3.02 -1.24 -3.56 115.26 115.09 2wwl n ASN 42 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2wwl n ASN 42 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2wwl n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wwl n GLY 43 N 0.00 -2.86 0.83 7.41 0.00 -1.04 -4.79 105.19 104.74 2wwl n GLY 43 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2wwl n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwl n ARG 44 N -0.34 0.00 -4.96 1.61 1.74 -1.17 -4.64 116.66 108.89 2wwl n ARG 44 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2wwl n ARG 44 Cb 0.00 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 29.66 2wwl n ARG 44 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2wwl s VAL 45 N -2.50 1.96 0.00 1.55 -7.23 -0.93 -4.47 120.40 108.78 2wwl s VAL 45 Ca 0.00 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2wwl s VAL 45 Cb 0.00 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2wwl s VAL 45 CO 0.00 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 2wwl n GLY 46 N 2.05 4.02 3.39 2.32 0.00 -1.26 -2.50 105.19 113.21 2wwl n GLY 46 Ca -0.16 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 2wwl n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wwl s PHE 47 N 2.91 -0.44 0.05 1.61 -0.71 -1.26 -4.73 117.98 115.40 2wwl s PHE 47 Ca 0.00 0.21 -0.25 0.00 -1.04 0.00 0.00 56.93 55.86 2wwl s PHE 47 Cb 0.00 0.47 0.06 0.00 -1.21 0.00 0.00 43.02 42.34 2wwl s PHE 47 CO 0.00 -0.80 0.58 0.20 -1.34 0.00 0.00 175.22 173.85 2wwl s GLY 48 N -2.74 -0.51 -0.25 1.99 0.00 -1.25 -3.58 107.32 100.98 2wwl s GLY 48 Ca 0.01 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.50 2wwl s GLY 48 CO -0.12 0.43 -0.06 -0.19 0.00 0.00 0.00 173.10 173.16 2wwl s TYR 49 N -2.42 2.73 -0.64 1.90 1.51 -1.26 -3.93 117.35 115.23 2wwl s TYR 49 Ca -0.05 -2.02 -0.08 0.00 -1.01 0.00 0.00 57.07 53.91 2wwl s TYR 49 Cb -0.01 -1.79 0.17 0.00 -0.11 0.00 0.00 41.96 40.22 2wwl s TYR 49 CO -0.01 -0.82 0.51 0.20 -1.11 0.00 0.00 175.55 174.31 2wwl s GLY 50 N 1.28 2.42 0.38 0.71 0.00 -1.22 -4.68 107.32 106.20 2wwl s GLY 50 Ca -0.05 -3.08 -0.25 0.00 0.00 0.00 0.00 44.72 41.34 2wwl s GLY 50 CO -0.07 1.15 1.09 0.54 0.00 0.00 0.00 173.10 175.82 2wwl s LYS 51 N 0.40 4.22 -0.28 2.90 1.02 -1.26 -4.26 119.74 122.47 2wwl s LYS 51 Ca 0.14 1.66 -0.18 0.00 0.02 0.00 0.00 55.97 57.61 2wwl s LYS 51 Cb -0.19 -2.70 0.10 0.00 -0.52 0.00 0.00 37.83 34.53 2wwl s LYS 51 CO -0.04 -0.13 0.81 0.00 -0.92 0.00 0.00 175.35 175.07 2wwl s ALA 52 N -1.49 -1.99 0.36 5.17 0.00 -1.10 -4.73 121.76 117.96 2wwl s ALA 52 Ca 0.55 2.26 0.22 0.00 0.00 0.00 0.00 51.96 54.99 2wwl s ALA 52 Cb -0.26 -1.48 1.13 0.00 0.00 0.00 0.00 23.12 22.50 2wwl s ALA 52 CO 0.33 -0.35 1.96 0.00 0.00 0.00 0.00 175.76 177.70 2wwl h ARG 53 N 6.20 0.00 -6.02 0.00 3.08 -1.93 0.17 114.38 115.88 2wwl h ARG 53 Ca -0.29 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.18 2wwl h ARG 53 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 2wwl h ARG 53 CO 0.15 0.21 -0.26 -1.83 -1.07 0.00 0.00 179.97 177.18 2wwl s GLU 54 N -4.13 2.24 -0.21 0.04 -1.05 -1.26 -4.45 118.70 109.88 2wwl s GLU 54 Ca -0.02 -2.01 -0.16 0.00 -0.15 0.00 0.00 54.97 52.63 2wwl s GLU 54 Cb 0.13 -2.16 -0.10 0.00 -0.44 0.00 0.00 34.13 31.57 2wwl s GLU 54 CO 0.64 -0.71 -0.20 0.28 0.95 0.00 0.00 175.26 176.22 2wwl n VAL 55 N -1.87 1.50 0.17 1.83 0.31 -1.26 -4.39 118.33 114.60 2wwl n VAL 55 Ca 0.00 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 2wwl n VAL 55 Cb 0.64 -2.17 -0.08 0.00 -0.91 0.00 0.00 33.84 31.33 2wwl n VAL 55 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wwl h PRO 56 N -1.00 -0.34 0.00 5.55 0.11 -1.98 -2.75 132.00 131.59 2wwl h PRO 56 Ca -0.27 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wwl h PRO 56 Cb 1.13 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wwl h PRO 56 CO -0.16 -0.22 0.00 0.00 -0.21 0.00 0.00 178.00 177.41 2wwl n ALA 57 N -2.25 1.87 0.45 -0.75 0.00 -1.26 -1.62 120.51 116.94 2wwl n ALA 57 Ca -0.10 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.43 2wwl n ALA 57 Cb 0.17 -1.11 0.47 0.00 0.00 0.00 0.00 19.45 18.97 2wwl n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl h ALA 58 N 2.33 1.00 0.00 0.00 0.00 -1.71 -2.47 119.26 118.41 2wwl h ALA 58 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wwl h ALA 58 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wwl h ALA 58 CO 0.00 0.00 -1.04 0.44 0.00 0.00 0.00 179.25 178.65 2wwl n ILE 59 N -2.37 0.04 0.00 0.00 -5.35 -0.64 -4.03 119.36 107.00 2wwl n ILE 59 Ca 0.03 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2wwl n ILE 59 Cb 0.31 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 2wwl n ILE 59 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2wwl n GLN 60 N -2.17 0.00 0.26 6.28 7.27 -1.22 -1.67 117.38 126.13 2wwl n GLN 60 Ca -0.01 0.72 0.18 0.00 0.07 0.00 0.00 57.00 57.96 2wwl n GLN 60 Cb 0.52 -1.13 0.92 0.00 2.41 0.00 0.00 30.24 32.96 2wwl n GLN 60 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2wwl h LYS 61 N 0.00 0.00 0.00 3.69 1.79 -1.69 -1.24 116.57 119.12 2wwl h LYS 61 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2wwl h LYS 61 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2wwl h LYS 61 CO 0.00 0.00 -0.33 0.00 -1.08 0.00 0.00 179.45 178.04 2wwl h ALA 62 N 1.81 0.86 0.00 3.86 0.00 -1.48 -2.90 119.26 121.41 2wwl h ALA 62 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2wwl h ALA 62 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wwl h ALA 62 CO -0.00 0.41 -1.55 -1.33 0.00 0.00 0.00 179.25 176.78 2wwl n MET 63 N -3.29 0.63 0.11 0.00 2.81 -0.49 -1.63 117.12 115.25 2wwl n MET 63 Ca 0.01 0.09 -0.06 0.00 -1.81 0.00 0.00 57.70 55.93 2wwl n MET 63 Cb 0.58 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 2wwl n MET 63 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2wwl h GLU 64 N 0.00 -0.34 0.00 0.03 4.39 -1.53 -2.96 114.58 114.17 2wwl h GLU 64 Ca -0.14 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2wwl h GLU 64 Cb 1.41 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2wwl h GLU 64 CO 0.02 -0.23 0.00 0.87 -1.16 0.00 0.00 179.01 178.52 2wwl h LYS 65 N -0.36 0.00 -0.24 2.33 1.79 -1.56 -0.63 116.57 117.91 2wwl h LYS 65 Ca -0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2wwl h LYS 65 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2wwl h LYS 65 CO -0.02 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 178.34 2wwl h ALA 66 N 2.01 0.33 0.00 3.86 0.00 -1.23 -2.46 119.26 121.77 2wwl h ALA 66 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wwl h ALA 66 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wwl h ALA 66 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2wwl h ARG 67 N 0.20 0.00 -0.53 0.00 3.08 -0.96 0.59 114.38 116.76 2wwl h ARG 67 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wwl h ARG 67 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2wwl h ARG 67 CO 0.02 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 2wwl n ARG 68 N -3.04 2.35 -4.24 0.04 5.12 -0.92 -4.88 116.66 111.10 2wwl n ARG 68 Ca -0.03 -1.85 -0.15 0.00 -1.93 0.00 0.00 57.85 53.89 2wwl n ARG 68 Cb 0.09 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 29.83 2wwl n ARG 68 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2wwl s ASN 69 N -0.94 0.86 -0.27 0.55 2.47 0.20 -5.03 114.94 112.78 2wwl s ASN 69 Ca 0.34 -1.56 -0.28 0.00 0.42 0.00 0.00 52.86 51.79 2wwl s ASN 69 Cb 0.19 0.47 0.17 0.00 -1.45 0.00 0.00 41.25 40.63 2wwl s ASN 69 CO 0.21 -0.95 1.30 0.00 -3.72 0.00 0.00 177.10 173.94 2wwl s MET 70 N -3.82 0.19 -0.10 0.43 0.23 -1.26 -4.60 119.30 110.37 2wwl s MET 70 Ca 0.40 0.11 0.01 0.00 -1.03 0.00 0.00 55.69 55.18 2wwl s MET 70 Cb 0.05 0.09 0.02 0.00 -1.53 0.00 0.00 34.83 33.46 2wwl s MET 70 CO 0.19 -0.05 -0.11 0.42 -2.03 0.00 0.00 175.02 173.45 2wwl s ILE 71 N -0.57 1.19 0.13 3.16 1.01 -1.04 -4.87 121.20 120.21 2wwl s ILE 71 Ca 0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2wwl s ILE 71 Cb -0.03 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 2wwl s ILE 71 CO -0.09 0.39 0.99 0.21 0.00 0.00 0.00 174.94 176.44 2wwl s ASN 72 N 1.29 7.46 0.06 3.58 2.47 -1.26 -2.20 114.94 126.34 2wwl s ASN 72 Ca -0.02 1.86 0.08 0.00 0.42 0.00 0.00 52.86 55.21 2wwl s ASN 72 Cb -0.14 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.04 2wwl s ASN 72 CO -0.04 -0.09 -0.23 0.54 -3.72 0.00 0.00 177.10 173.56 2wwl s VAL 73 N -0.10 1.87 -0.20 -5.21 0.11 -1.26 -4.48 120.40 111.13 2wwl s VAL 73 Ca 0.47 -1.37 -0.09 0.00 -2.93 0.00 0.00 61.98 58.06 2wwl s VAL 73 Cb -0.25 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 2wwl s VAL 73 CO 0.31 0.19 0.10 0.00 -3.33 0.00 0.00 175.10 172.37 2wwl s ALA 74 N -0.89 3.55 0.08 1.54 0.00 -1.26 -4.70 121.76 120.08 2wwl s ALA 74 Ca 0.09 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.04 2wwl s ALA 74 Cb -0.09 -2.08 0.07 0.00 0.00 0.00 0.00 23.12 21.02 2wwl s ALA 74 CO 0.03 0.11 0.65 -0.48 0.00 0.00 0.00 175.76 176.07 2wwl s LEU 75 N 0.48 -0.57 -0.01 0.00 0.05 -1.26 -4.87 118.68 112.50 2wwl s LEU 75 Ca 0.06 0.20 0.02 0.00 0.05 0.00 0.00 54.13 54.46 2wwl s LEU 75 Cb -0.12 2.52 -0.00 0.00 -2.05 0.00 0.00 46.19 46.54 2wwl s LEU 75 CO -0.00 -0.83 -0.08 0.54 -0.55 0.00 0.00 176.35 175.43 2wwl s ASN 76 N -2.28 0.99 -1.54 1.48 4.22 -1.26 -4.83 114.94 111.72 2wwl s ASN 76 Ca -0.02 -0.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.55 2wwl s ASN 76 Cb -0.01 -0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.35 2wwl s ASN 76 CO -0.06 0.08 0.00 0.59 -2.04 0.00 0.00 177.10 175.67 2wwl n ASN 77 N 3.05 -4.77 -0.03 3.54 4.13 -1.26 -2.07 115.26 117.84 2wwl n ASN 77 Ca -0.15 0.29 -0.00 0.00 1.68 0.00 0.00 54.58 56.40 2wwl n ASN 77 Cb 0.56 -3.67 -0.00 0.00 -1.54 0.00 0.00 39.78 35.13 2wwl n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wwl n GLY 78 N -1.10 0.47 2.76 7.41 0.00 -1.26 -4.80 105.19 108.67 2wwl n GLY 78 Ca -0.16 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2wwl n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wwl s THR 79 N -1.93 0.59 0.01 2.61 -1.32 -0.88 -1.63 115.64 113.09 2wwl s THR 79 Ca 0.00 -0.47 -0.30 0.00 -1.21 0.00 0.00 61.69 59.71 2wwl s THR 79 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2wwl s THR 79 CO 0.00 -0.09 1.36 -0.22 -2.21 0.00 0.00 174.62 173.46 2wwl s LEU 80 N 1.84 4.32 0.17 9.08 2.96 -1.26 -4.14 118.68 131.65 2wwl s LEU 80 Ca 0.00 2.09 0.25 0.00 -0.22 0.00 0.00 54.13 56.25 2wwl s LEU 80 Cb -0.16 -3.56 0.91 0.00 0.50 0.00 0.00 46.19 43.88 2wwl s LEU 80 CO -0.07 -0.68 1.77 0.00 -1.32 0.00 0.00 176.35 176.05 2wwl n GLN 81 N 5.11 0.19 -4.59 1.98 3.00 -1.26 -4.68 117.38 117.13 2wwl n GLN 81 Ca 0.12 0.22 -0.30 0.00 -0.01 0.00 0.00 57.00 57.03 2wwl n GLN 81 Cb 0.44 -1.75 -0.17 0.00 0.00 0.00 0.00 30.24 28.77 2wwl n GLN 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2wwl s HIS 82 N -3.12 2.29 0.88 1.08 5.04 -1.26 -4.96 115.29 115.24 2wwl s HIS 82 Ca 0.10 -1.10 -0.11 0.00 -1.54 0.00 0.00 55.06 52.40 2wwl s HIS 82 Cb 0.13 -1.60 0.13 0.00 0.04 0.00 0.00 32.58 31.28 2wwl s HIS 82 CO 0.52 -0.53 1.16 -2.14 -2.34 0.00 0.00 174.74 171.42 2wwl s PRO 83 N 0.88 1.18 -0.03 2.88 0.02 -1.26 -4.84 135.00 133.83 2wwl s PRO 83 Ca -0.07 1.61 0.04 0.00 0.02 0.00 0.00 61.00 62.59 2wwl s PRO 83 Cb -0.15 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 2wwl s PRO 83 CO -0.01 -2.52 -0.14 0.08 -0.33 0.00 0.00 177.00 174.07 2wwl s VAL 84 N -2.52 3.06 0.00 3.83 1.01 -0.49 -4.93 120.40 120.36 2wwl s VAL 84 Ca 0.68 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2wwl s VAL 84 Cb -0.24 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2wwl s VAL 84 CO 0.56 0.54 0.00 2.29 0.00 0.00 0.00 175.10 178.49 2wwl n LYS 85 N 2.13 0.00 -2.02 2.72 0.00 -1.24 -3.95 118.16 115.80 2wwl n LYS 85 Ca -0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.76 2wwl n LYS 85 Cb 0.52 -0.05 0.01 0.00 -0.00 0.00 0.00 35.03 35.51 2wwl n LYS 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2wwl s GLY 86 N 0.00 2.87 -0.06 2.58 0.00 -1.24 -4.70 107.32 106.78 2wwl s GLY 86 Ca 0.00 1.19 -0.01 0.00 0.00 0.00 0.00 44.72 45.90 2wwl s GLY 86 CO 0.00 1.72 0.00 0.54 0.00 0.00 0.00 173.10 175.36 2wwl s VAL 87 N -1.35 0.33 0.15 1.40 0.11 -1.26 -2.29 120.40 117.48 2wwl s VAL 87 Ca 0.63 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.82 2wwl s VAL 87 Cb -0.36 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2wwl s VAL 87 CO 0.45 0.23 -0.06 -2.28 -3.33 0.00 0.00 175.10 170.11 2wwl s HIS 88 N 1.72 1.18 0.00 1.54 2.46 -1.25 -5.08 115.29 115.86 2wwl s HIS 88 Ca 0.01 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 54.67 2wwl s HIS 88 Cb -0.13 -0.64 0.00 0.00 -0.13 0.00 0.00 32.58 31.68 2wwl s HIS 88 CO -0.04 -0.05 0.00 0.25 -2.47 0.00 0.00 174.74 172.43 2wwl n THR 89 N -0.19 0.00 1.05 0.89 -2.24 -1.26 -3.76 114.28 108.77 2wwl n THR 89 Ca -0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 2wwl n THR 89 Cb 0.61 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.00 2wwl n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wwl n GLY 90 N 0.00 -0.93 3.61 3.38 0.00 -1.26 -4.84 105.19 105.15 2wwl n GLY 90 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2wwl n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wwl s SER 91 N -2.85 5.78 -0.01 1.61 0.15 -1.25 -3.90 113.70 113.24 2wwl s SER 91 Ca 0.14 1.91 -0.11 0.00 0.70 0.00 0.00 55.95 58.59 2wwl s SER 91 Cb 0.17 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 2wwl s SER 91 CO 0.70 -1.70 0.34 -0.13 1.20 0.00 0.00 173.24 173.65 2wwl s ARG 92 N 5.75 3.76 0.04 5.44 0.52 -0.57 -3.93 118.95 129.96 2wwl s ARG 92 Ca 0.92 0.21 0.05 0.00 -0.52 0.00 0.00 55.73 56.39 2wwl s ARG 92 Cb -0.32 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 2wwl s ARG 92 CO 0.35 0.68 -0.15 0.08 0.02 0.00 0.00 175.30 176.29 2wwl s VAL 93 N -1.16 1.15 0.15 3.52 1.01 -0.97 -2.39 120.40 121.72 2wwl s VAL 93 Ca 0.24 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 2wwl s VAL 93 Cb -0.15 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.22 2wwl s VAL 93 CO 0.13 0.03 0.45 -0.36 0.00 0.00 0.00 175.10 175.34 2wwl s PHE 94 N -0.83 -0.14 -0.30 5.22 0.08 -0.73 -3.63 117.98 117.65 2wwl s PHE 94 Ca 0.02 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 56.74 2wwl s PHE 94 Cb -0.08 0.30 0.18 0.00 -0.57 0.00 0.00 43.02 42.85 2wwl s PHE 94 CO 0.01 -0.79 1.09 1.41 -0.10 0.00 0.00 175.22 176.85 2wwl s MET 95 N -3.84 0.18 -0.19 0.44 1.75 -1.25 -2.57 119.30 113.81 2wwl s MET 95 Ca 0.06 0.37 -0.09 0.00 -1.25 0.00 0.00 55.69 54.79 2wwl s MET 95 Cb 0.01 0.22 -0.05 0.00 2.84 0.00 0.00 34.83 37.85 2wwl s MET 95 CO -0.08 -0.13 0.10 -0.65 -0.65 0.00 0.00 175.02 173.61 2wwl s GLN 96 N 2.65 4.03 0.16 4.11 1.11 -1.14 -1.40 119.66 129.18 2wwl s GLN 96 Ca -0.02 -0.27 -0.34 0.00 0.01 0.00 0.00 55.36 54.75 2wwl s GLN 96 Cb -0.07 -3.31 -0.15 0.00 -1.01 0.00 0.00 33.01 28.47 2wwl s GLN 96 CO -0.13 0.33 1.45 -2.30 0.01 0.00 0.00 175.29 174.64 2wwl n PRO 97 N 3.40 1.78 -3.74 2.91 -0.02 -1.26 -4.19 135.00 133.88 2wwl n PRO 97 Ca -0.17 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 2wwl n PRO 97 Cb 0.52 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 2wwl n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wwl s ALA 98 N 0.53 0.95 0.41 3.55 0.00 -1.26 -4.98 121.76 120.96 2wwl s ALA 98 Ca 0.78 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.21 2wwl s ALA 98 Cb -0.76 -1.11 0.84 0.00 0.00 0.00 0.00 23.12 22.09 2wwl s ALA 98 CO 0.43 -1.05 2.04 0.77 0.00 0.00 0.00 175.76 177.96 2wwl h SER 99 N 8.26 0.46 -4.95 0.00 0.02 -1.94 -3.40 113.55 112.00 2wwl h SER 99 Ca -0.17 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2wwl h SER 99 Cb 1.12 -0.12 -0.18 0.00 0.14 0.00 0.00 62.40 63.37 2wwl h SER 99 CO 0.33 0.36 0.22 -1.83 -1.14 0.00 0.00 176.83 174.76 2wwl s GLU 100 N -5.42 1.07 0.00 3.45 1.03 -1.26 -4.94 118.70 112.63 2wwl s GLU 100 Ca -0.08 0.12 0.00 0.00 0.03 0.00 0.00 54.97 55.04 2wwl s GLU 100 Cb 0.17 0.50 0.00 0.00 -0.80 0.00 0.00 34.13 34.00 2wwl s GLU 100 CO 0.73 -0.36 0.00 0.41 -1.33 0.00 0.00 175.26 174.71 2wwl n GLY 101 N 0.65 0.72 3.35 -3.83 0.00 -1.26 -5.01 105.19 99.80 2wwl n GLY 101 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2wwl n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wwl s THR 102 N -2.49 2.10 0.00 2.61 -4.23 -1.26 -5.09 115.64 107.28 2wwl s THR 102 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2wwl s THR 102 Cb 0.00 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2wwl s THR 102 CO 0.00 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2wwl n GLY 103 N 1.44 1.20 0.00 3.99 0.00 -1.25 -3.97 105.19 106.60 2wwl n GLY 103 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2wwl n GLY 103 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wwl n ILE 104 N -0.19 0.00 -3.19 -0.61 2.08 -1.18 -2.40 119.36 113.87 2wwl n ILE 104 Ca 0.00 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 2wwl n ILE 104 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.39 2wwl n ILE 104 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2wwl n ILE 105 N -2.03 -8.95 -3.57 1.39 2.08 -1.26 -3.14 119.36 103.88 2wwl n ILE 105 Ca 0.00 -0.20 -0.10 0.00 0.56 0.00 0.00 62.75 63.01 2wwl n ILE 105 Cb 0.37 -6.21 -0.05 0.00 -0.75 0.00 0.00 39.64 33.00 2wwl n ILE 105 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wwl s ALA 106 N -3.00 -1.93 0.00 -1.39 0.00 -1.26 -3.59 121.76 110.59 2wwl s ALA 106 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2wwl s ALA 106 Cb -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2wwl s ALA 106 CO 0.78 -0.34 0.11 0.41 0.00 0.00 0.00 175.76 176.72 2wwl n GLY 107 N 0.63 0.44 3.83 0.00 0.00 -1.26 -4.93 105.19 103.89 2wwl n GLY 107 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2wwl n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wwl s GLY 108 N -0.00 1.61 0.32 -0.02 0.00 -1.26 -4.97 107.32 103.00 2wwl s GLY 108 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 44.72 44.11 2wwl s GLY 108 CO 0.00 -0.10 1.63 0.00 0.00 0.00 0.00 173.10 174.63 2wwl h ALA 109 N -1.46 1.57 0.00 3.20 0.00 -1.90 -2.61 119.26 118.05 2wwl h ALA 109 Ca -0.48 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wwl h ALA 109 Cb 1.31 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2wwl h ALA 109 CO 0.58 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2wwl n MET 110 N -5.23 0.56 -0.04 0.00 -0.00 -1.26 -2.05 117.12 109.10 2wwl n MET 110 Ca 0.27 0.00 -0.21 0.00 -0.00 0.00 0.00 57.70 57.76 2wwl n MET 110 Cb 0.86 -1.28 -0.13 0.00 -0.00 0.00 0.00 33.22 32.68 2wwl n MET 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2wwl h ARG 111 N 0.46 0.13 0.01 3.17 2.43 -1.80 -3.37 114.38 115.41 2wwl h ARG 111 Ca 0.00 -0.22 -0.41 0.00 -0.81 0.00 0.00 59.98 58.54 2wwl h ARG 111 Cb 0.29 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 2wwl h ARG 111 CO 0.00 1.10 -2.44 0.00 -1.51 0.00 0.00 179.97 177.13 2wwl n ALA 112 N -3.13 1.31 0.25 2.80 0.00 -0.87 -3.66 120.51 117.20 2wwl n ALA 112 Ca -0.28 -1.06 0.09 0.00 0.00 0.00 0.00 53.44 52.19 2wwl n ALA 112 Cb 0.80 -0.07 0.62 0.00 0.00 0.00 0.00 19.45 20.80 2wwl n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wwl h VAL 113 N -0.35 0.86 -1.64 0.00 -1.51 -1.84 -1.87 116.25 109.90 2wwl h VAL 113 Ca -0.61 -0.54 -0.70 0.00 -1.23 0.00 0.00 66.70 63.63 2wwl h VAL 113 Cb 1.80 1.31 -0.22 0.00 -2.13 0.00 0.00 31.29 32.05 2wwl h VAL 113 CO -0.19 0.14 1.12 0.18 -1.23 0.00 0.00 177.57 177.58 2wwl n LEU 114 N -4.02 7.30 0.09 4.19 4.77 -1.24 -3.87 117.00 124.22 2wwl n LEU 114 Ca -0.02 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.20 2wwl n LEU 114 Cb 0.23 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2wwl n LEU 114 CO 0.33 1.87 0.00 1.21 -1.33 0.00 0.00 177.39 179.47 2wwl n GLU 115 N 0.37 0.00 -0.35 3.23 4.07 -0.88 -4.74 120.64 122.33 2wwl n GLU 115 Ca 0.53 0.00 0.29 0.00 -0.06 0.00 0.00 57.16 57.92 2wwl n GLU 115 Cb 0.33 0.00 0.60 0.00 -0.06 0.00 0.00 31.44 32.31 2wwl n GLU 115 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 2wwl h VAL 116 N 0.00 0.41 0.00 6.31 -1.51 -1.53 -0.32 116.25 119.61 2wwl h VAL 116 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2wwl h VAL 116 Cb 0.00 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.31 2wwl h VAL 116 CO 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 176.38 2wwl n ALA 117 N -2.56 2.05 -2.35 5.19 0.00 -1.25 -1.71 120.51 119.87 2wwl n ALA 117 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2wwl n ALA 117 Cb 1.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2wwl n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwl n GLY 118 N 0.33 -3.26 3.17 0.00 0.00 -0.26 -2.51 105.19 102.67 2wwl n GLY 118 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 46.02 46.40 2wwl n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwl s VAL 119 N -1.33 -0.92 -0.56 1.61 1.01 -0.46 -4.47 120.40 115.28 2wwl s VAL 119 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.09 2wwl s VAL 119 Cb -0.01 -0.06 0.21 0.00 0.00 0.00 0.00 36.38 36.52 2wwl s VAL 119 CO 0.53 0.00 1.17 0.00 0.00 0.00 0.00 175.10 176.81 2wwl n HIS 120 N 4.41 0.31 -2.92 5.22 1.44 -1.14 -4.14 115.22 118.41 2wwl n HIS 120 Ca 0.10 -0.53 0.01 0.00 -2.01 0.00 0.00 57.72 55.29 2wwl n HIS 120 Cb 0.57 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.64 2wwl n HIS 120 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2wwl s ASN 121 N -1.08 -0.81 0.20 4.39 2.47 -0.65 -4.73 114.94 114.73 2wwl s ASN 121 Ca 0.16 -0.47 -0.16 0.00 0.42 0.00 0.00 52.86 52.81 2wwl s ASN 121 Cb 0.09 1.04 0.02 0.00 -1.45 0.00 0.00 41.25 40.96 2wwl s ASN 121 CO 0.10 -0.08 0.49 0.68 -3.72 0.00 0.00 177.10 174.57 2wwl s VAL 122 N 1.81 0.03 -0.03 -5.21 -7.23 -1.01 -3.78 120.40 104.98 2wwl s VAL 122 Ca 0.16 -0.90 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 2wwl s VAL 122 Cb 0.01 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.32 2wwl s VAL 122 CO -0.11 -0.13 0.02 -0.22 -0.31 0.00 0.00 175.10 174.35 2wwl s LEU 123 N -2.90 0.88 0.15 1.32 2.96 -1.21 -3.09 118.68 116.80 2wwl s LEU 123 Ca 0.11 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2wwl s LEU 123 Cb -0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.50 2wwl s LEU 123 CO -0.02 -0.15 0.17 0.00 -1.32 0.00 0.00 176.35 175.04 2wwl s ALA 124 N 1.34 0.48 0.11 5.97 0.00 -1.19 -2.86 121.76 125.61 2wwl s ALA 124 Ca -0.06 -1.22 -0.21 0.00 0.00 0.00 0.00 51.96 50.47 2wwl s ALA 124 Cb -0.13 0.90 0.06 0.00 0.00 0.00 0.00 23.12 23.95 2wwl s ALA 124 CO -0.03 -0.57 0.53 0.21 0.00 0.00 0.00 175.76 175.90 2wwl s LYS 125 N -4.02 1.15 0.01 0.00 2.47 -1.06 -4.76 119.74 113.52 2wwl s LYS 125 Ca 0.22 -0.44 -0.20 0.00 -1.56 0.00 0.00 55.97 53.99 2wwl s LYS 125 Cb 0.05 0.52 0.04 0.00 -1.46 0.00 0.00 37.83 36.99 2wwl s LYS 125 CO 0.02 -0.46 0.45 0.00 0.16 0.00 0.00 175.35 175.51 2wwl s ALA 126 N -3.31 -1.13 0.31 3.13 0.00 -1.26 -1.77 121.76 117.74 2wwl s ALA 126 Ca -0.01 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.55 2wwl s ALA 126 Cb -0.00 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2wwl s ALA 126 CO -0.09 -0.38 0.03 0.71 0.00 0.00 0.00 175.76 176.04 2wwl s TYR 127 N -1.82 1.94 0.00 0.00 2.02 -1.00 -5.01 117.35 113.47 2wwl s TYR 127 Ca -0.09 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2wwl s TYR 127 Cb -0.02 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2wwl s TYR 127 CO 0.03 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 2wwl n GLY 128 N -0.65 -2.56 3.75 0.71 0.00 -1.26 -1.51 105.19 103.67 2wwl n GLY 128 Ca -0.03 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2wwl n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wwl s SER 129 N -2.69 5.41 0.00 1.61 1.04 -1.25 -4.90 113.70 112.92 2wwl s SER 129 Ca 0.00 2.78 0.26 0.00 0.48 0.00 0.00 55.95 59.47 2wwl s SER 129 Cb 0.00 -2.64 0.65 0.00 0.10 0.00 0.00 66.02 64.13 2wwl s SER 129 CO 0.00 -1.47 1.51 0.35 0.98 0.00 0.00 173.24 174.61 2wwl n THR 130 N -0.85 0.00 -1.56 2.02 -2.24 -1.26 -4.58 114.28 105.81 2wwl n THR 130 Ca 0.09 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 2wwl n THR 130 Cb 0.44 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 2wwl n THR 130 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wwl s ASN 131 N -2.18 4.06 0.47 3.42 3.84 -1.26 -4.85 114.94 118.44 2wwl s ASN 131 Ca 0.30 0.44 0.20 0.00 0.21 0.00 0.00 52.86 54.01 2wwl s ASN 131 Cb 0.20 -2.53 1.20 0.00 -0.55 0.00 0.00 41.25 39.57 2wwl s ASN 131 CO 0.40 -3.54 1.96 1.55 -2.79 0.00 0.00 177.10 174.68 2wwl h PRO 132 N 15.31 0.22 -0.19 0.43 0.13 -1.99 -0.16 132.00 145.75 2wwl h PRO 132 Ca -0.09 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.08 2wwl h PRO 132 Cb 1.10 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2wwl h PRO 132 CO 1.06 0.15 0.33 0.82 -0.23 0.00 0.00 178.00 180.12 2wwl h ILE 133 N 0.23 0.25 0.00 -3.56 1.08 -2.01 -1.91 117.51 111.58 2wwl h ILE 133 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.78 2wwl h ILE 133 Cb 0.89 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2wwl h ILE 133 CO -0.06 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 177.99 2wwl n ASN 134 N -3.42 1.36 0.23 1.72 4.13 -0.10 -4.42 115.26 114.77 2wwl n ASN 134 Ca 0.02 -1.57 0.07 0.00 1.68 0.00 0.00 54.58 54.78 2wwl n ASN 134 Cb 0.44 0.00 0.58 0.00 -1.54 0.00 0.00 39.78 39.26 2wwl n ASN 134 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2wwl h VAL 135 N 0.50 1.05 0.00 2.41 2.07 -0.98 -0.19 116.25 121.12 2wwl h VAL 135 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2wwl h VAL 135 Cb 0.46 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2wwl h VAL 135 CO 0.00 0.06 0.00 -0.37 0.02 0.00 0.00 177.57 177.28 2wwl h VAL 136 N 0.04 0.00 0.00 2.57 -1.51 -1.76 -2.83 116.25 112.77 2wwl h VAL 136 Ca 0.01 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2wwl h VAL 136 Cb 0.10 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 2wwl h VAL 136 CO 0.01 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.89 2wwl n ARG 137 N -2.59 0.58 -0.16 5.19 5.12 -0.08 -2.79 116.66 121.92 2wwl n ARG 137 Ca -0.01 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.00 2wwl n ARG 137 Cb 0.10 -1.23 0.26 0.00 -1.16 0.00 0.00 32.46 30.43 2wwl n ARG 137 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wwl n ALA 138 N 0.56 2.46 -0.04 7.54 0.00 -1.07 -3.68 120.51 126.28 2wwl n ALA 138 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.73 2wwl n ALA 138 Cb 0.25 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2wwl n ALA 138 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wwl n THR 139 N 0.68 0.53 0.05 0.00 -2.24 -1.12 -2.97 114.28 109.21 2wwl n THR 139 Ca 0.16 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2wwl n THR 139 Cb 0.38 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 2wwl n THR 139 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wwl h ILE 140 N 0.00 1.38 -2.02 2.28 2.04 -1.81 -2.71 117.51 116.67 2wwl h ILE 140 Ca -0.21 -2.22 -0.74 0.00 1.00 0.00 0.00 64.86 62.69 2wwl h ILE 140 Cb 1.32 2.20 -0.30 0.00 -0.74 0.00 0.00 36.82 39.30 2wwl h ILE 140 CO 0.01 0.67 0.70 0.47 0.00 0.00 0.00 178.15 180.01 2wwl n ASP 141 N -3.82 6.91 0.00 1.72 8.00 -1.21 -1.75 116.55 126.40 2wwl n ASP 141 Ca -0.05 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.67 2wwl n ASP 141 Cb 0.75 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2wwl n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wwl n GLY 142 N -0.39 0.38 0.10 0.44 0.00 -1.16 -4.68 105.19 99.88 2wwl n GLY 142 Ca 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 2wwl n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wwl n LEU 143 N 0.00 1.87 0.06 0.99 4.32 -1.21 -4.53 117.00 118.50 2wwl n LEU 143 Ca 0.00 0.47 -0.05 0.00 -0.02 0.00 0.00 56.01 56.42 2wwl n LEU 143 Cb 0.00 -0.88 -0.09 0.00 -1.62 0.00 0.00 43.42 40.83 2wwl n LEU 143 CO 0.00 -0.01 0.08 -0.08 -1.22 0.00 0.00 177.39 176.16 2wwl h GLU 144 N -1.00 0.00 -5.44 3.23 4.81 -1.56 -3.37 114.58 111.24 2wwl h GLU 144 Ca -0.24 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.35 2wwl h GLU 144 Cb 1.04 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.27 2wwl h GLU 144 CO -0.14 0.75 0.40 1.21 -0.73 0.00 0.00 179.01 180.49 2wwl s ASN 145 N -6.48 6.25 0.17 1.04 2.47 -0.72 -4.98 114.94 112.69 2wwl s ASN 145 Ca 0.00 -0.73 -0.09 0.00 0.42 0.00 0.00 52.86 52.46 2wwl s ASN 145 Cb 0.09 -2.39 -0.01 0.00 -1.45 0.00 0.00 41.25 37.49 2wwl s ASN 145 CO 0.80 -1.19 0.28 0.00 -3.72 0.00 0.00 177.10 173.27 2wwl s MET 146 N 3.56 1.17 -0.12 0.43 0.23 -1.26 -3.35 119.30 119.96 2wwl s MET 146 Ca 0.23 -1.19 -0.03 0.00 -1.03 0.00 0.00 55.69 53.67 2wwl s MET 146 Cb -0.16 0.38 0.04 0.00 -1.53 0.00 0.00 34.83 33.56 2wwl s MET 146 CO 0.14 -0.43 0.04 1.21 -2.03 0.00 0.00 175.02 173.95 2wwl s ASN 147 N -2.98 2.05 0.31 -1.18 3.04 -1.26 -5.10 114.94 109.83 2wwl s ASN 147 Ca 0.18 -0.38 0.07 0.00 0.04 0.00 0.00 52.86 52.76 2wwl s ASN 147 Cb 0.03 -0.39 -0.02 0.00 -1.54 0.00 0.00 41.25 39.33 2wwl s ASN 147 CO 0.01 -0.27 0.35 -0.44 -3.04 0.00 0.00 177.10 173.71 2wwl s SER 148 N 2.01 5.74 0.21 -4.21 0.01 -1.26 -4.44 113.70 111.77 2wwl s SER 148 Ca 0.03 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 56.97 2wwl s SER 148 Cb -0.14 -1.28 0.17 0.00 0.21 0.00 0.00 66.02 64.97 2wwl s SER 148 CO -0.06 -0.28 1.69 1.55 0.41 0.00 0.00 173.24 176.55 2wwl h PRO 149 N 1.15 0.99 0.00 12.44 0.13 -2.01 -2.06 132.00 142.64 2wwl h PRO 149 Ca -0.47 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 2wwl h PRO 149 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wwl h PRO 149 CO 0.57 0.96 -0.31 -0.85 -0.23 0.00 0.00 178.00 178.14 2wwl n GLU 150 N -4.20 0.09 0.04 0.86 0.00 -1.26 -2.58 120.64 113.59 2wwl n GLU 150 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 57.16 57.16 2wwl n GLU 150 Cb 0.32 -1.57 -0.05 0.00 0.00 0.00 0.00 31.44 30.13 2wwl n GLU 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2wwl h MET 151 N 0.00 -0.19 -0.11 3.44 4.05 -1.76 -2.62 114.93 117.74 2wwl h MET 151 Ca 0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2wwl h MET 151 Cb 0.58 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 2wwl h MET 151 CO 0.00 0.14 -0.03 -0.24 0.23 0.00 0.00 176.91 177.01 2wwl h VAL 152 N -0.98 1.10 0.00 -5.77 3.04 -1.63 -3.07 116.25 108.93 2wwl h VAL 152 Ca -0.02 -0.38 -0.06 0.00 -1.01 0.00 0.00 66.70 65.22 2wwl h VAL 152 Cb 0.41 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2wwl h VAL 152 CO 0.03 0.12 -0.31 0.00 -1.01 0.00 0.00 177.57 176.41 2wwl h ALA 153 N 1.82 1.41 -0.01 3.17 0.00 -1.33 -0.95 119.26 123.36 2wwl h ALA 153 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wwl h ALA 153 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wwl h ALA 153 CO 0.01 0.38 -0.15 0.00 0.00 0.00 0.00 179.25 179.49 2wwl n ALA 154 N -2.44 2.86 -0.04 0.00 0.00 -1.00 -1.36 120.51 118.53 2wwl n ALA 154 Ca -0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 2wwl n ALA 154 Cb 0.36 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 2wwl n ALA 154 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wwl h LYS 155 N 1.30 0.40 0.00 0.00 1.57 -1.29 -3.18 116.57 115.37 2wwl h LYS 155 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2wwl h LYS 155 Cb 0.45 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wwl h LYS 155 CO 0.00 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.80 2wwl h ARG 156 N -0.04 0.00 -0.99 3.15 3.08 -1.30 -3.02 114.38 115.27 2wwl h ARG 156 Ca -0.01 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2wwl h ARG 156 Cb 0.95 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 2wwl h ARG 156 CO 0.07 0.00 0.64 0.78 -1.07 0.00 0.00 179.97 180.39 2wwl h GLY 157 N 3.08 1.51 1.00 0.04 0.00 -1.20 -3.50 103.07 104.00 2wwl h GLY 157 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2wwl h GLY 157 CO 0.00 0.33 0.00 0.28 0.00 0.00 0.00 176.54 177.15