#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n ASN 2 N 0.00 0.00 -4.01 6.12 3.02 -1.26 -3.98 115.26 115.15 2wh4 n ASN 2 Ca 0.00 0.34 -0.33 0.00 -0.03 0.00 0.00 54.58 54.56 2wh4 n ASN 2 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 2wh4 n ASN 2 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wh4 s ARG 3 N -0.67 2.40 0.04 3.52 3.52 -1.26 -4.91 118.95 121.58 2wh4 s ARG 3 Ca 0.00 -2.77 0.01 0.00 -0.13 0.00 0.00 55.73 52.84 2wh4 s ARG 3 Cb 0.00 -3.55 0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2wh4 s ARG 3 CO 0.00 -1.18 0.79 0.41 -0.81 0.00 0.00 175.30 174.52 2wh4 n GLY 4 N 2.99 -0.28 0.12 8.12 0.00 -1.26 -0.05 105.19 114.84 2wh4 n GLY 4 Ca 0.10 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 2wh4 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 5 N -1.27 1.46 -0.34 4.61 0.00 -1.26 -4.01 120.51 119.70 2wh4 n ALA 5 Ca -0.00 -1.14 0.09 0.00 0.00 0.00 0.00 53.44 52.39 2wh4 n ALA 5 Cb 0.27 -0.11 0.26 0.00 0.00 0.00 0.00 19.45 19.87 2wh4 n ALA 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wh4 h LEU 6 N 0.00 0.76 0.26 0.00 6.46 -0.88 -2.06 115.31 119.85 2wh4 h LEU 6 Ca -0.57 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.27 2wh4 h LEU 6 Cb 1.95 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.79 2wh4 h LEU 6 CO -0.07 0.34 -0.37 0.40 -0.62 0.00 0.00 178.44 178.13 2wh4 h ILE 7 N 0.81 0.24 -0.66 4.05 2.04 -1.63 -2.95 117.51 119.40 2wh4 h ILE 7 Ca 0.51 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.51 2wh4 h ILE 7 Cb 0.65 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 36.87 2wh4 h ILE 7 CO -0.33 0.00 0.06 0.11 0.00 0.00 0.00 178.15 177.99 2wh4 h LYS 8 N -0.69 0.16 -0.72 2.37 1.57 -1.51 0.96 116.57 118.71 2wh4 h LYS 8 Ca -0.00 -0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.98 2wh4 h LYS 8 Cb 0.66 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2wh4 h LYS 8 CO -0.13 0.11 0.58 -0.07 -0.57 0.00 0.00 179.45 179.36 2wh4 h LEU 9 N 0.16 0.00 0.16 2.94 3.38 -1.38 -0.69 115.31 119.88 2wh4 h LEU 9 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2wh4 h LEU 9 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wh4 h LEU 9 CO -0.53 0.00 -0.08 0.58 0.09 0.00 0.00 178.44 178.50 2wh4 h VAL 10 N 0.00 0.94 -0.53 1.22 2.07 0.10 -3.10 116.25 116.95 2wh4 h VAL 10 Ca 0.34 -1.01 0.15 0.00 0.82 0.00 0.00 66.70 67.01 2wh4 h VAL 10 Cb 1.49 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 2wh4 h VAL 10 CO -0.00 0.21 0.39 -0.33 0.02 0.00 0.00 177.57 177.86 2wh4 h GLU 11 N -0.75 0.00 -4.89 1.57 3.07 -0.79 -3.21 114.58 109.57 2wh4 h GLU 11 Ca -0.02 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.33 2wh4 h GLU 11 Cb 0.52 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.46 2wh4 h GLU 11 CO 0.04 0.00 1.69 0.43 -1.40 0.00 0.00 179.01 179.76 2wh4 n SER 12 N -4.32 2.49 -0.71 1.42 7.64 -0.76 -4.45 113.62 114.92 2wh4 n SER 12 Ca 0.10 -2.66 0.12 0.00 1.01 0.00 0.00 58.87 57.44 2wh4 n SER 12 Cb 0.62 -1.29 0.07 0.00 -1.01 0.00 0.00 64.21 62.60 2wh4 n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2wh4 n ARG 13 N 7.59 1.75 -0.98 1.43 3.00 -1.21 -3.94 116.66 124.29 2wh4 n ARG 13 Ca 0.47 -1.43 -0.07 0.00 -0.00 0.00 0.00 57.85 56.82 2wh4 n ARG 13 Cb 0.43 -1.47 0.28 0.00 0.00 0.00 0.00 32.46 31.70 2wh4 n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wh4 n TYR 14 N 0.62 2.36 -1.65 -0.14 4.02 -1.26 -4.97 117.16 116.15 2wh4 n TYR 14 Ca 0.12 -1.17 -0.40 0.00 -0.01 0.00 0.00 57.90 56.43 2wh4 n TYR 14 Cb 0.53 -0.68 0.02 0.00 -0.02 0.00 0.00 39.34 39.19 2wh4 n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2wh4 n VAL 15 N -0.17 2.76 -4.29 -0.72 0.24 -1.25 -4.85 118.33 110.05 2wh4 n VAL 15 Ca 0.40 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.99 2wh4 n VAL 15 Cb 1.35 -1.32 -0.16 0.00 -1.47 0.00 0.00 33.84 32.24 2wh4 n VAL 15 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wh4 s ARG 16 N -2.25 0.92 -0.13 7.34 3.00 -1.26 -5.08 118.95 121.50 2wh4 s ARG 16 Ca 0.65 -0.21 -0.05 0.00 -1.00 0.00 0.00 55.73 55.12 2wh4 s ARG 16 Cb -0.51 -0.87 0.06 0.00 0.00 0.00 0.00 34.95 33.63 2wh4 s ARG 16 CO 0.55 0.01 0.27 -0.08 0.00 0.00 0.00 175.30 176.05 2wh4 s THR 17 N 0.55 -0.37 0.00 4.11 -1.32 -1.26 -4.88 115.64 112.46 2wh4 s THR 17 Ca -0.08 0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 2wh4 s THR 17 Cb -0.12 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 2wh4 s THR 17 CO 0.01 0.11 0.00 -0.90 -2.21 0.00 0.00 174.62 171.63 2wh4 n ASP 18 N 5.20 0.00 -4.73 8.08 5.75 -1.26 -5.14 116.55 124.45 2wh4 n ASP 18 Ca -0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.29 2wh4 n ASP 18 Cb 0.50 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 2wh4 n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wh4 s LEU 19 N 0.00 4.39 -0.26 -2.12 1.43 -1.26 -4.98 118.68 115.88 2wh4 s LEU 19 Ca 0.00 1.38 -0.39 0.00 -1.03 0.00 0.00 54.13 54.09 2wh4 s LEU 19 Cb 0.00 -3.22 -0.15 0.00 0.03 0.00 0.00 46.19 42.85 2wh4 s LEU 19 CO 0.00 -0.06 1.79 -2.65 0.23 0.00 0.00 176.35 175.66 2wh4 n PRO 20 N 3.28 1.28 -2.16 1.29 -0.02 -1.26 -4.86 135.00 132.54 2wh4 n PRO 20 Ca -0.01 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2wh4 n PRO 20 Cb 0.51 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2wh4 n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wh4 s GLU 21 N 3.79 4.34 0.17 -0.52 2.12 -1.26 -4.95 118.70 122.39 2wh4 s GLU 21 Ca 0.98 2.10 0.02 0.00 0.36 0.00 0.00 54.97 58.44 2wh4 s GLU 21 Cb -1.02 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 30.16 2wh4 s GLU 21 CO 0.63 -0.37 0.18 1.97 -0.54 0.00 0.00 175.26 177.14 2wh4 n PHE 22 N 3.23 -0.61 -3.56 5.30 1.16 -1.26 -5.12 117.46 116.61 2wh4 n PHE 22 Ca 0.09 -1.32 -0.09 0.00 -1.87 0.00 0.00 57.45 54.25 2wh4 n PHE 22 Cb 0.42 0.20 -0.04 0.00 -1.61 0.00 0.00 39.48 38.45 2wh4 n PHE 22 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2wh4 s ARG 23 N -2.57 0.64 0.00 3.97 1.70 -1.26 -5.03 118.95 116.39 2wh4 s ARG 23 Ca 0.18 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.42 2wh4 s ARG 23 Cb 0.00 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2wh4 s ARG 23 CO 0.13 -0.23 0.00 -2.30 -1.08 0.00 0.00 175.30 171.81 2wh4 n PRO 24 N 0.35 0.00 0.00 3.89 -0.02 -1.26 -4.13 135.00 133.83 2wh4 n PRO 24 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2wh4 n PRO 24 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 2wh4 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh4 n GLY 25 N 0.00 0.79 2.76 -1.23 0.00 -1.26 -4.67 105.19 101.57 2wh4 n GLY 25 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2wh4 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh4 s ASP 26 N -1.00 -0.58 0.00 1.61 3.68 -1.25 -4.07 116.67 115.07 2wh4 s ASP 26 Ca 0.00 -0.54 0.00 0.00 2.13 0.00 0.00 52.55 54.14 2wh4 s ASP 26 Cb 0.00 0.75 0.00 0.00 -1.45 0.00 0.00 42.92 42.22 2wh4 s ASP 26 CO 0.00 -0.04 0.00 1.07 0.13 0.00 0.00 175.17 176.33 2wh4 n THR 27 N 3.10 0.00 0.00 1.71 5.66 -1.25 -2.61 114.28 120.89 2wh4 n THR 27 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2wh4 n THR 27 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2wh4 n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wh4 n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.25 -2.69 118.33 115.78 2wh4 n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh4 n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wh4 n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh4 n ARG 29 N 0.00 0.00 -0.20 5.55 3.00 0.07 -3.95 116.66 121.12 2wh4 n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wh4 n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wh4 n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wh4 n VAL 30 N -1.54 0.00 0.00 1.55 0.24 -1.26 -4.34 118.33 112.97 2wh4 n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wh4 n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wh4 n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wh4 n SER 31 N -2.09 0.00 0.00 -1.34 3.41 0.71 -3.97 113.62 110.34 2wh4 n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wh4 n SER 31 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2wh4 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wh4 n TYR 32 N 0.00 0.00 0.00 7.33 0.18 -1.26 -3.75 117.16 119.66 2wh4 n TYR 32 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2wh4 n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2wh4 n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2wh4 n LYS 33 N 0.00 0.00 -3.65 -3.48 4.76 -1.24 -4.71 118.16 109.84 2wh4 n LYS 33 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2wh4 n LYS 33 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 2wh4 n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wh4 s VAL 34 N 0.00 5.19 -4.53 -0.18 1.01 -1.26 -4.13 120.40 116.50 2wh4 s VAL 34 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2wh4 s VAL 34 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2wh4 s VAL 34 CO 0.00 0.39 0.00 2.29 0.00 0.00 0.00 175.10 177.78 2wh4 n LYS 35 N 1.23 -1.92 -0.48 2.72 2.85 -1.24 -5.00 118.16 116.31 2wh4 n LYS 35 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2wh4 n LYS 35 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 2wh4 n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wh4 n GLU 36 N -0.01 -1.87 0.00 -1.58 2.13 -1.26 -0.59 120.64 117.47 2wh4 n GLU 36 Ca 0.00 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2wh4 n GLU 36 Cb 0.00 -3.67 0.00 0.00 0.27 0.00 0.00 31.44 28.04 2wh4 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh4 n GLY 37 N 0.43 2.66 3.35 8.31 0.00 -1.26 -4.99 105.19 113.68 2wh4 n GLY 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wh4 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s ASN 38 N -1.91 5.11 0.43 1.61 4.22 0.24 -4.97 114.94 119.67 2wh4 s ASN 38 Ca 0.00 -0.67 0.24 0.00 -2.14 0.00 0.00 52.86 50.30 2wh4 s ASN 38 Cb 0.00 -1.88 1.26 0.00 1.28 0.00 0.00 41.25 41.91 2wh4 s ASN 38 CO 0.00 -0.18 1.72 0.03 -2.04 0.00 0.00 177.10 176.63 2wh4 h ARG 39 N 8.23 0.24 0.00 3.55 3.08 -1.91 -3.30 114.38 124.27 2wh4 h ARG 39 Ca -0.32 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 2wh4 h ARG 39 Cb 1.13 -0.05 0.05 0.00 0.08 0.00 0.00 29.97 31.18 2wh4 h ARG 39 CO 0.60 0.16 -0.04 0.25 -1.07 0.00 0.00 179.97 179.87 2wh4 n THR 40 N -4.61 0.00 0.00 2.04 -2.24 -1.26 -4.11 114.28 104.10 2wh4 n THR 40 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2wh4 n THR 40 Cb 1.11 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2wh4 n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wh4 n ARG 41 N -2.22 0.00 -3.23 -0.78 5.12 -1.26 -4.44 116.66 109.84 2wh4 n ARG 41 Ca 0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 2wh4 n ARG 41 Cb 0.15 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.37 2wh4 n ARG 41 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2wh4 n ILE 42 N 1.41 -0.86 -0.60 0.55 -6.64 -1.26 -3.70 119.36 108.26 2wh4 n ILE 42 Ca 0.00 -3.46 -0.30 0.00 -1.77 0.00 0.00 62.75 57.22 2wh4 n ILE 42 Cb 0.00 -1.49 0.20 0.00 -1.44 0.00 0.00 39.64 36.92 2wh4 n ILE 42 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 2wh4 n GLN 43 N 2.13 -1.21 -4.65 6.28 7.27 -1.26 -4.59 117.38 121.35 2wh4 n GLN 43 Ca 0.24 -0.30 -0.25 0.00 0.07 0.00 0.00 57.00 56.77 2wh4 n GLN 43 Cb 0.51 -2.30 -0.16 0.00 2.41 0.00 0.00 30.24 30.70 2wh4 n GLN 43 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wh4 s ASP 44 N -2.55 1.84 -0.41 1.69 1.11 -1.26 -0.21 116.67 116.89 2wh4 s ASP 44 Ca 0.68 -0.31 -0.10 0.00 0.18 0.00 0.00 52.55 53.00 2wh4 s ASP 44 Cb -0.24 -0.71 0.06 0.00 1.07 0.00 0.00 42.92 43.10 2wh4 s ASP 44 CO 0.61 0.07 0.25 0.12 1.18 0.00 0.00 175.17 177.40 2wh4 s PHE 45 N 0.42 3.30 -0.93 4.23 5.36 -1.25 -4.89 117.98 124.22 2wh4 s PHE 45 Ca -0.10 -1.33 -0.06 0.00 -0.96 0.00 0.00 56.93 54.47 2wh4 s PHE 45 Cb -0.14 -2.79 0.23 0.00 -0.34 0.00 0.00 43.02 39.98 2wh4 s PHE 45 CO 0.03 -0.79 0.86 -2.00 -1.46 0.00 0.00 175.22 171.86 2wh4 s GLU 46 N 1.47 3.57 0.30 10.12 2.12 -1.26 -0.75 118.70 134.27 2wh4 s GLU 46 Ca 0.02 -3.07 0.05 0.00 0.36 0.00 0.00 54.97 52.33 2wh4 s GLU 46 Cb -0.22 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 29.93 2wh4 s GLU 46 CO 0.04 -1.25 0.22 0.20 -0.54 0.00 0.00 175.26 173.93 2wh4 s GLY 47 N 0.77 2.09 0.32 -1.50 0.00 -1.26 -4.86 107.32 102.88 2wh4 s GLY 47 Ca 0.26 -1.91 -0.27 0.00 0.00 0.00 0.00 44.72 42.80 2wh4 s GLY 47 CO -0.09 -1.48 1.05 -0.42 0.00 0.00 0.00 173.10 172.15 2wh4 s ILE 48 N -3.64 3.69 -0.19 0.90 1.09 -1.09 -3.84 121.20 118.13 2wh4 s ILE 48 Ca 0.39 1.52 -0.21 0.00 -1.10 0.00 0.00 60.65 61.25 2wh4 s ILE 48 Cb 0.04 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2wh4 s ILE 48 CO 0.22 0.23 0.64 0.54 -0.10 0.00 0.00 174.94 176.47 2wh4 s VAL 49 N -1.38 5.02 -0.17 2.92 0.11 -1.26 0.07 120.40 125.71 2wh4 s VAL 49 Ca 0.49 1.22 -0.13 0.00 -2.93 0.00 0.00 61.98 60.64 2wh4 s VAL 49 Cb -0.27 -3.96 -0.22 0.00 -1.53 0.00 0.00 36.38 30.40 2wh4 s VAL 49 CO 0.34 0.12 0.23 -0.38 -3.33 0.00 0.00 175.10 172.08 2wh4 n ILE 50 N 4.61 1.66 -3.72 7.04 -0.00 -0.20 -4.21 119.36 124.53 2wh4 n ILE 50 Ca -0.01 -0.39 -0.13 0.00 -0.00 0.00 0.00 62.75 62.22 2wh4 n ILE 50 Cb 0.50 -1.85 -0.09 0.00 -0.00 0.00 0.00 39.64 38.20 2wh4 n ILE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wh4 s ARG 51 N -2.48 0.57 -0.28 0.38 1.70 -1.23 -3.18 118.95 114.44 2wh4 s ARG 51 Ca -0.27 0.48 -0.01 0.00 -0.47 0.00 0.00 55.73 55.46 2wh4 s ARG 51 Cb 0.07 0.27 0.05 0.00 -0.57 0.00 0.00 34.95 34.77 2wh4 s ARG 51 CO 0.67 -0.09 -0.04 0.42 -1.08 0.00 0.00 175.30 175.17 2wh4 s ILE 52 N -0.08 2.76 -0.62 4.99 1.01 -1.26 -0.92 121.20 127.09 2wh4 s ILE 52 Ca -0.03 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 2wh4 s ILE 52 Cb -0.03 -2.54 0.14 0.00 0.01 0.00 0.00 42.46 40.04 2wh4 s ILE 52 CO 0.02 0.00 0.61 -0.60 0.00 0.00 0.00 174.94 174.97 2wh4 s ARG 53 N 1.24 3.14 0.34 2.79 3.52 0.10 -4.97 118.95 125.12 2wh4 s ARG 53 Ca -0.04 -1.80 -0.27 0.00 -0.13 0.00 0.00 55.73 53.49 2wh4 s ARG 53 Cb -0.19 -4.34 -0.09 0.00 -1.56 0.00 0.00 34.95 28.77 2wh4 s ARG 53 CO -0.03 -1.37 1.06 1.03 -0.81 0.00 0.00 175.30 175.18 2wh4 s ARG 54 N 1.53 4.39 0.00 5.12 0.52 -1.26 -1.53 118.95 127.72 2wh4 s ARG 54 Ca 0.08 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 2wh4 s ARG 54 Cb -0.24 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2wh4 s ARG 54 CO 0.01 0.04 0.05 -1.71 0.02 0.00 0.00 175.30 173.71 2wh4 n ASN 55 N 0.52 0.00 0.00 0.23 5.15 -1.26 -4.96 115.26 114.94 2wh4 n ASN 55 Ca 0.02 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 2wh4 n ASN 55 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 2wh4 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wh4 n GLY 56 N 0.00 1.86 1.65 8.20 0.00 -1.26 -4.76 105.19 110.88 2wh4 n GLY 56 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2wh4 n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wh4 n PHE 57 N 0.00 -3.35 -1.01 1.61 -0.00 -1.26 -4.34 117.46 109.11 2wh4 n PHE 57 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 57.45 56.75 2wh4 n PHE 57 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 39.48 39.14 2wh4 n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wh4 n ASN 58 N -3.04 0.00 -4.82 -2.13 2.04 -1.26 -4.81 115.26 101.23 2wh4 n ASN 58 Ca 0.07 0.00 -0.37 0.00 -0.44 0.00 0.00 54.58 53.84 2wh4 n ASN 58 Cb 0.25 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.44 2wh4 n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2wh4 s THR 59 N -0.51 4.73 0.52 5.53 -1.32 -1.26 -4.83 115.64 118.49 2wh4 s THR 59 Ca 0.00 1.10 0.05 0.00 -1.21 0.00 0.00 61.69 61.63 2wh4 s THR 59 Cb 0.00 -3.83 0.02 0.00 -1.51 0.00 0.00 72.50 67.17 2wh4 s THR 59 CO 0.00 0.34 0.30 0.42 -2.21 0.00 0.00 174.62 173.47 2wh4 s THR 60 N -1.36 1.65 -0.10 5.08 -4.23 -0.58 -4.25 115.64 111.85 2wh4 s THR 60 Ca 0.36 -1.61 -0.30 0.00 -1.18 0.00 0.00 61.69 58.97 2wh4 s THR 60 Cb -0.17 -2.26 0.08 0.00 1.34 0.00 0.00 72.50 71.49 2wh4 s THR 60 CO 0.20 0.00 0.73 0.72 -0.54 0.00 0.00 174.62 175.72 2wh4 s PHE 61 N -2.77 -0.65 0.08 3.99 -0.12 -1.12 0.03 117.98 117.42 2wh4 s PHE 61 Ca 0.29 1.21 0.07 0.00 -0.05 0.00 0.00 56.93 58.45 2wh4 s PHE 61 Cb -0.01 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2wh4 s PHE 61 CO 0.18 -0.54 -0.18 0.95 -0.05 0.00 0.00 175.22 175.58 2wh4 s THR 62 N -0.90 1.44 -0.07 -4.49 -4.23 -0.09 -1.58 115.64 105.71 2wh4 s THR 62 Ca -0.08 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2wh4 s THR 62 Cb -0.01 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.52 2wh4 s THR 62 CO 0.07 -0.07 -0.19 0.68 -0.54 0.00 0.00 174.62 174.58 2wh4 s VAL 63 N -1.10 1.62 -0.25 2.29 -7.23 0.42 -1.03 120.40 115.12 2wh4 s VAL 63 Ca 0.03 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 2wh4 s VAL 63 Cb -0.10 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2wh4 s VAL 63 CO 0.03 0.46 0.05 -0.60 -0.31 0.00 0.00 175.10 174.73 2wh4 s ARG 64 N 0.37 3.55 -0.04 4.82 3.52 0.11 -0.76 118.95 130.51 2wh4 s ARG 64 Ca -0.14 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2wh4 s ARG 64 Cb -0.16 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2wh4 s ARG 64 CO 0.06 -0.22 -0.20 0.21 -0.81 0.00 0.00 175.30 174.34 2wh4 s LYS 65 N 1.58 2.39 -0.73 5.12 2.47 0.18 -2.65 119.74 128.10 2wh4 s LYS 65 Ca 0.06 -0.81 -0.17 0.00 -1.56 0.00 0.00 55.97 53.49 2wh4 s LYS 65 Cb -0.15 -2.23 0.15 0.00 -1.46 0.00 0.00 37.83 34.14 2wh4 s LYS 65 CO 0.02 0.56 0.77 0.08 0.16 0.00 0.00 175.35 176.94 2wh4 s VAL 66 N -0.58 5.14 -0.49 4.02 1.01 -1.26 -0.04 120.40 128.21 2wh4 s VAL 66 Ca 0.08 -1.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 2wh4 s VAL 66 Cb -0.11 -4.51 0.04 0.00 0.00 0.00 0.00 36.38 31.80 2wh4 s VAL 66 CO 0.00 -1.12 0.72 -0.55 0.00 0.00 0.00 175.10 174.15 2wh4 s SER 67 N 3.11 6.30 0.00 3.32 0.15 -0.80 -4.78 113.70 121.00 2wh4 s SER 67 Ca 0.16 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2wh4 s SER 67 Cb -0.17 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2wh4 s SER 67 CO -0.02 -0.93 0.00 -1.22 1.20 0.00 0.00 173.24 172.27 2wh4 n TYR 68 N 6.55 0.00 0.00 3.44 4.02 -1.26 -1.93 117.16 127.98 2wh4 n TYR 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2wh4 n TYR 68 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2wh4 n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh4 n GLY 69 N 0.00 0.00 3.70 2.72 0.00 -1.26 -5.07 105.19 105.28 2wh4 n GLY 69 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh4 n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 70 N -1.30 4.66 0.58 1.61 1.01 -0.81 -5.03 120.40 121.12 2wh4 s VAL 70 Ca 0.00 1.92 -0.18 0.00 0.00 0.00 0.00 61.98 63.73 2wh4 s VAL 70 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2wh4 s VAL 70 CO 0.00 0.09 1.10 -0.83 0.00 0.00 0.00 175.10 175.46 2wh4 s GLY 71 N 1.10 2.39 -0.13 4.51 0.00 -1.26 -1.91 107.32 112.02 2wh4 s GLY 71 Ca 0.52 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.81 2wh4 s GLY 71 CO 0.24 0.99 0.33 0.14 0.00 0.00 0.00 173.10 174.80 2wh4 s VAL 72 N -2.07 -0.03 -0.00 1.40 1.01 0.94 -4.86 120.40 116.79 2wh4 s VAL 72 Ca 0.69 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.85 2wh4 s VAL 72 Cb -0.21 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2wh4 s VAL 72 CO 0.32 0.04 -0.23 -1.83 0.00 0.00 0.00 175.10 173.40 2wh4 s GLU 73 N 1.17 1.78 -0.01 2.72 -1.05 -1.26 0.52 118.70 122.57 2wh4 s GLU 73 Ca -0.08 -0.86 0.07 0.00 -0.15 0.00 0.00 54.97 53.94 2wh4 s GLU 73 Cb -0.08 -1.77 -0.03 0.00 -0.44 0.00 0.00 34.13 31.81 2wh4 s GLU 73 CO -0.09 0.48 -0.21 1.03 0.95 0.00 0.00 175.26 177.42 2wh4 s ARG 74 N -0.70 2.18 -0.23 -4.83 1.81 0.06 -4.92 118.95 112.32 2wh4 s ARG 74 Ca 0.09 -0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 53.20 2wh4 s ARG 74 Cb -0.09 -2.17 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 2wh4 s ARG 74 CO -0.00 0.57 -0.10 0.42 -0.68 0.00 0.00 175.30 175.51 2wh4 s ILE 75 N -0.74 2.66 0.03 1.52 1.01 -1.26 -0.43 121.20 123.99 2wh4 s ILE 75 Ca 0.12 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2wh4 s ILE 75 Cb -0.10 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2wh4 s ILE 75 CO 0.01 0.27 -0.18 -0.36 0.00 0.00 0.00 174.94 174.69 2wh4 s PHE 76 N 1.31 2.57 0.23 3.97 0.40 -0.61 -5.00 117.98 120.85 2wh4 s PHE 76 Ca 0.01 -0.25 0.31 0.00 -0.60 0.00 0.00 56.93 56.40 2wh4 s PHE 76 Cb -0.16 -1.48 1.40 0.00 0.51 0.00 0.00 43.02 43.29 2wh4 s PHE 76 CO -0.06 0.24 2.01 -1.35 0.70 0.00 0.00 175.22 176.75 2wh4 h PRO 77 N 4.65 0.00 -0.07 0.24 0.11 -1.87 -2.96 132.00 132.10 2wh4 h PRO 77 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2wh4 h PRO 77 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wh4 h PRO 77 CO 0.48 0.08 -0.03 -0.11 -0.21 0.00 0.00 178.00 178.21 2wh4 n LEU 78 N -3.27 -0.01 -3.81 2.35 0.00 -1.26 -4.13 117.00 106.87 2wh4 n LEU 78 Ca -0.00 0.04 -0.12 0.00 0.00 0.00 0.00 56.01 55.92 2wh4 n LEU 78 Cb 0.30 -0.88 -0.09 0.00 0.00 0.00 0.00 43.42 42.74 2wh4 n LEU 78 CO 0.28 -0.18 -0.07 -1.00 0.00 0.00 0.00 177.39 176.42 2wh4 s HIS 79 N -1.96 -0.08 0.00 1.96 3.76 -1.26 -4.91 115.29 112.80 2wh4 s HIS 79 Ca 0.00 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 2wh4 s HIS 79 Cb 0.00 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.72 2wh4 s HIS 79 CO 0.00 -0.33 0.00 0.45 -0.85 0.00 0.00 174.74 174.01 2wh4 n SER 80 N 1.43 0.00 -4.51 1.40 2.88 -1.26 -4.81 113.62 108.75 2wh4 n SER 80 Ca -0.22 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.10 2wh4 n SER 80 Cb 0.56 0.00 -0.20 0.00 -0.75 0.00 0.00 64.21 63.82 2wh4 n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wh4 n PRO 81 N 12.87 0.10 -2.68 -1.46 -0.02 -1.26 -4.55 135.00 138.00 2wh4 n PRO 81 Ca 0.00 -0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.31 2wh4 n PRO 81 Cb 0.00 -1.47 0.06 0.00 -0.02 0.00 0.00 33.50 32.07 2wh4 n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wh4 n LEU 82 N 7.93 -1.54 0.21 2.45 4.32 -1.25 -4.66 117.00 124.47 2wh4 n LEU 82 Ca 0.64 -1.67 0.01 0.00 -0.02 0.00 0.00 56.01 54.98 2wh4 n LEU 82 Cb 0.18 0.58 0.08 0.00 -1.62 0.00 0.00 43.42 42.64 2wh4 n LEU 82 CO 1.00 1.49 0.83 0.16 -1.22 0.00 0.00 177.39 179.65 2wh4 h ILE 83 N 1.95 0.00 0.00 -0.08 3.07 -1.80 -3.42 117.51 117.22 2wh4 h ILE 83 Ca -0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.26 2wh4 h ILE 83 Cb 1.18 0.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2wh4 h ILE 83 CO -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 176.98 2wh4 n GLN 84 N -2.01 -0.53 0.00 0.16 10.64 -1.26 -5.10 117.38 119.28 2wh4 n GLN 84 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wh4 n GLN 84 Cb 0.74 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.12 2wh4 n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2wh4 n LYS 85 N 0.00 0.00 -1.58 2.61 4.81 -1.26 -4.56 118.16 118.17 2wh4 n LYS 85 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.91 2wh4 n LYS 85 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2wh4 n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2wh4 n ILE 86 N 0.00 0.31 -2.04 3.15 3.06 -1.26 -4.66 119.36 117.91 2wh4 n ILE 86 Ca 0.00 -0.15 -0.34 0.00 -2.50 0.00 0.00 62.75 59.76 2wh4 n ILE 86 Cb 0.00 -1.52 0.02 0.00 0.54 0.00 0.00 39.64 38.68 2wh4 n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wh4 s ASP 87 N 5.33 5.54 0.00 9.51 1.47 -1.25 -4.51 116.67 132.75 2wh4 s ASP 87 Ca 1.03 2.02 0.00 0.00 1.18 0.00 0.00 52.55 56.78 2wh4 s ASP 87 Cb -0.91 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.11 2wh4 s ASP 87 CO 0.56 -1.34 0.00 -0.38 0.68 0.00 0.00 175.17 174.69 2wh4 n ILE 88 N -1.85 0.00 -3.93 2.11 5.41 -1.09 -4.92 119.36 115.08 2wh4 n ILE 88 Ca 0.10 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.51 2wh4 n ILE 88 Cb 0.52 -0.04 -0.14 0.00 -0.71 0.00 0.00 39.64 39.27 2wh4 n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wh4 s VAL 89 N 0.09 2.89 -0.86 1.39 1.01 -1.07 -5.01 120.40 118.83 2wh4 s VAL 89 Ca 0.00 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 2wh4 s VAL 89 Cb 0.00 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2wh4 s VAL 89 CO 0.00 -0.04 1.57 -1.10 0.00 0.00 0.00 175.10 175.53 2wh4 s GLN 90 N 1.25 3.12 0.00 2.72 -0.21 -1.26 -3.82 119.66 121.46 2wh4 s GLN 90 Ca -0.05 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.89 2wh4 s GLN 90 Cb -0.19 -4.83 0.00 0.00 1.00 0.00 0.00 33.01 28.99 2wh4 s GLN 90 CO -0.02 -2.52 0.00 0.54 -2.12 0.00 0.00 175.29 171.17 2wh4 n ARG 91 N 9.06 0.60 0.00 2.91 1.74 -1.26 -4.28 116.66 125.43 2wh4 n ARG 91 Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2wh4 n ARG 91 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2wh4 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh4 n GLY 92 N 0.76 1.60 2.57 -0.13 0.00 0.96 -4.31 105.19 106.63 2wh4 n GLY 92 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2wh4 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wh4 n ARG 93 N 0.00 -2.44 -1.24 1.61 0.00 -1.26 -4.51 116.66 108.82 2wh4 n ARG 93 Ca 0.00 0.62 -0.56 0.00 -0.00 0.00 0.00 57.85 57.91 2wh4 n ARG 93 Cb 0.00 -5.25 -0.10 0.00 0.00 0.00 0.00 32.46 27.11 2wh4 n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh4 n ALA 94 N -2.41 -0.17 0.26 5.13 0.00 -1.26 -4.76 120.51 117.30 2wh4 n ALA 94 Ca -0.14 0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2wh4 n ALA 94 Cb 0.61 -1.83 0.38 0.00 0.00 0.00 0.00 19.45 18.61 2wh4 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 h ARG 95 N 7.15 0.00 -5.51 0.00 2.47 -1.92 -3.41 114.38 113.15 2wh4 h ARG 95 Ca -0.17 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.12 2wh4 h ARG 95 Cb 1.26 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.40 2wh4 h ARG 95 CO 0.95 0.00 -0.76 -0.98 0.56 0.00 0.00 179.97 179.74 2wh4 s ARG 96 N -4.12 1.07 0.04 0.04 1.70 -1.26 -5.08 118.95 111.35 2wh4 s ARG 96 Ca -0.02 -1.27 -0.23 0.00 -0.47 0.00 0.00 55.73 53.75 2wh4 s ARG 96 Cb 0.05 -0.98 -0.15 0.00 -0.57 0.00 0.00 34.95 33.31 2wh4 s ARG 96 CO 0.18 0.19 1.48 0.00 -1.08 0.00 0.00 175.30 176.07 2wh4 h ALA 97 N 3.46 0.12 -3.01 7.88 0.00 -1.96 -3.41 119.26 122.34 2wh4 h ALA 97 Ca -0.40 -0.17 -0.65 0.00 0.00 0.00 0.00 54.91 53.69 2wh4 h ALA 97 Cb 1.20 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 2wh4 h ALA 97 CO 0.51 -0.20 -0.63 0.15 0.00 0.00 0.00 179.25 179.07 2wh4 s LYS 98 N -5.01 3.66 -0.55 0.00 3.01 -1.26 -4.65 119.74 114.94 2wh4 s LYS 98 Ca -0.14 -0.48 0.06 0.00 -1.01 0.00 0.00 55.97 54.40 2wh4 s LYS 98 Cb 0.05 -3.25 0.24 0.00 -1.01 0.00 0.00 37.83 33.86 2wh4 s LYS 98 CO 0.70 -0.11 0.64 1.47 0.51 0.00 0.00 175.35 178.55 2wh4 n LEU 99 N 4.68 2.37 0.16 3.17 -0.00 -1.19 -4.82 117.00 121.37 2wh4 n LEU 99 Ca -0.16 -5.14 0.05 0.00 -0.00 0.00 0.00 56.01 50.75 2wh4 n LEU 99 Cb 0.52 -0.20 0.07 0.00 -0.00 0.00 0.00 43.42 43.80 2wh4 n LEU 99 CO 0.31 2.03 0.56 1.88 -0.00 0.00 0.00 177.39 182.17 2wh4 h TYR 100 N 4.27 0.00 0.00 1.47 -1.99 -1.95 -3.30 116.97 115.46 2wh4 h TYR 100 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 2wh4 h TYR 100 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2wh4 h TYR 100 CO 0.58 0.39 0.63 0.27 -0.00 0.00 0.00 178.16 180.03 2wh4 h PHE 101 N 0.00 0.00 -0.02 4.88 -0.00 -1.98 -0.57 116.94 119.26 2wh4 h PHE 101 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.96 2wh4 h PHE 101 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.23 2wh4 h PHE 101 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 178.31 179.13 2wh4 h ILE 102 N 0.00 1.19 -1.26 0.88 2.04 -1.81 -3.19 117.51 115.36 2wh4 h ILE 102 Ca 0.00 -0.56 0.39 0.00 1.00 0.00 0.00 64.86 65.69 2wh4 h ILE 102 Cb 1.26 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 2wh4 h ILE 102 CO 0.00 0.15 0.88 0.54 0.00 0.00 0.00 178.15 179.71 2wh4 n ARG 103 N -4.96 -0.01 0.00 2.37 1.74 -0.22 -3.40 116.66 112.17 2wh4 n ARG 103 Ca -0.07 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 2wh4 n ARG 103 Cb 0.14 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 2wh4 n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wh4 n ASN 104 N -3.69 0.00 -4.22 0.55 3.02 -1.21 -4.79 115.26 104.93 2wh4 n ASN 104 Ca 0.31 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.80 2wh4 n ASN 104 Cb 1.33 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.45 2wh4 n ASN 104 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wh4 n LEU 105 N 0.00 -0.97 -3.82 3.41 4.77 -1.22 -4.73 117.00 114.43 2wh4 n LEU 105 Ca 0.00 -1.59 -0.10 0.00 -0.03 0.00 0.00 56.01 54.29 2wh4 n LEU 105 Cb 0.00 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.10 2wh4 n LEU 105 CO 0.00 -2.15 -0.06 -0.94 -1.33 0.00 0.00 177.39 172.91 2wh4 s SER 106 N 2.56 0.03 0.00 -1.43 1.04 -1.23 -4.50 113.70 110.18 2wh4 s SER 106 Ca 0.37 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2wh4 s SER 106 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2wh4 s SER 106 CO 0.11 -0.68 0.00 -0.90 0.98 0.00 0.00 173.24 172.75 2wh4 n ASP 107 N 0.21 0.00 -0.04 7.02 5.75 -1.26 -4.70 116.55 123.53 2wh4 n ASP 107 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.51 2wh4 n ASP 107 Cb 0.61 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.56 2wh4 n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wh4 n ARG 108 N 0.00 0.66 -0.34 0.11 1.85 -1.26 -3.86 116.66 113.82 2wh4 n ARG 108 Ca 0.00 0.21 0.11 0.00 -1.00 0.00 0.00 57.85 57.17 2wh4 n ARG 108 Cb 0.00 -1.71 0.28 0.00 -1.05 0.00 0.00 32.46 29.99 2wh4 n ARG 108 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wh4 h GLU 109 N 0.01 0.73 0.25 2.89 5.08 -1.91 0.24 114.58 121.87 2wh4 h GLU 109 Ca -0.38 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2wh4 h GLU 109 Cb 2.07 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.12 2wh4 h GLU 109 CO 0.06 0.49 -0.36 0.82 -1.00 0.00 0.00 179.01 179.02 2wh4 h ILE 110 N 0.76 0.26 -0.90 3.13 2.04 -1.79 0.29 117.51 121.29 2wh4 h ILE 110 Ca 0.54 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.50 2wh4 h ILE 110 Cb 0.78 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 2wh4 h ILE 110 CO -0.36 0.00 0.54 0.03 0.00 0.00 0.00 178.15 178.36 2wh4 h ARG 111 N -0.67 0.86 -0.77 2.37 3.08 -1.18 0.12 114.38 118.20 2wh4 h ARG 111 Ca -0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2wh4 h ARG 111 Cb 0.65 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 2wh4 h ARG 111 CO -0.13 0.57 0.51 0.00 -1.07 0.00 0.00 179.97 179.85 2wh4 h ARG 112 N 0.89 0.94 -0.00 0.04 3.08 0.56 -2.28 114.38 117.61 2wh4 h ARG 112 Ca 0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2wh4 h ARG 112 Cb 0.40 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2wh4 h ARG 112 CO -0.25 0.62 -0.40 1.63 -1.07 0.00 0.00 179.97 180.50 2wh4 n LYS 113 N -4.44 0.46 -3.01 0.04 4.01 0.90 -4.31 118.16 111.81 2wh4 n LYS 113 Ca 0.09 -0.28 -0.24 0.00 -0.51 0.00 0.00 58.31 57.38 2wh4 n LYS 113 Cb 0.09 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.09 2wh4 n LYS 113 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wh4 n LEU 114 N -1.03 3.20 -4.64 -0.35 4.77 0.26 -4.86 117.00 114.36 2wh4 n LEU 114 Ca 0.09 -5.41 -0.30 0.00 -0.03 0.00 0.00 56.01 50.36 2wh4 n LEU 114 Cb 0.35 -0.10 0.18 0.00 -2.33 0.00 0.00 43.42 41.51 2wh4 n LEU 114 CO 0.31 2.32 0.63 -0.13 -1.33 0.00 0.00 177.39 179.18 2wh4 s ARG 115 N -3.12 0.55 0.40 3.23 1.81 -1.17 -4.19 118.95 116.46 2wh4 s ARG 115 Ca 0.46 1.07 -0.27 0.00 -1.72 0.00 0.00 55.73 55.27 2wh4 s ARG 115 Cb 0.31 -1.71 -0.09 0.00 -0.45 0.00 0.00 34.95 33.01 2wh4 s ARG 115 CO -0.12 -2.80 1.34 0.00 -0.68 0.00 0.00 175.30 173.04 2wh4 s ALA 116 N -2.70 3.33 -0.54 2.13 0.00 -1.26 -0.03 121.76 122.69 2wh4 s ALA 116 Ca 0.66 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.84 2wh4 s ALA 116 Cb -0.22 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.53 2wh4 s ALA 116 CO 0.60 -0.88 0.42 0.34 0.00 0.00 0.00 175.76 176.24 2wh4 s ASP 117 N -0.60 5.78 0.00 0.00 2.15 -1.26 -4.64 116.67 118.11 2wh4 s ASP 117 Ca 0.56 -2.17 0.00 0.00 0.43 0.00 0.00 52.55 51.37 2wh4 s ASP 117 Cb -0.40 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2wh4 s ASP 117 CO 0.52 -0.63 0.92 0.54 -0.17 0.00 0.00 175.17 176.35 2wh4 n ARG 118 N 4.56 0.00 0.00 4.34 3.00 -1.26 -1.30 116.66 126.01 2wh4 n ARG 118 Ca -0.03 0.50 0.00 0.00 -0.01 0.00 0.00 57.85 58.32 2wh4 n ARG 118 Cb 0.41 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.45 2wh4 n ARG 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2wh4 n LYS 119 N -1.92 0.00 0.06 5.56 4.81 -1.26 0.44 118.16 125.86 2wh4 n LYS 119 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2wh4 n LYS 119 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2wh4 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh4 h ARG 120 N 0.00 0.50 0.67 1.64 3.08 -1.88 -3.27 114.38 115.13 2wh4 h ARG 120 Ca 0.00 -0.56 -0.03 0.00 0.07 0.00 0.00 59.98 59.46 2wh4 h ARG 120 Cb 0.00 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wh4 h ARG 120 CO 0.00 1.20 -0.40 0.82 -1.07 0.00 0.00 179.97 180.51 2wh4 h ILE 121 N 0.28 0.18 -0.74 2.04 1.08 1.06 -2.84 117.51 118.56 2wh4 h ILE 121 Ca -0.10 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.58 2wh4 h ILE 121 Cb 1.65 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 2wh4 h ILE 121 CO 0.18 0.00 0.65 0.44 -0.69 0.00 0.00 178.15 178.74 2wh4 h ASP 122 N -1.01 0.00 -0.15 1.72 3.32 -0.94 0.27 116.42 119.63 2wh4 h ASP 122 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2wh4 h ASP 122 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2wh4 h ASP 122 CO 0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 2wh4 n GLN 123 N -3.89 1.62 -0.12 3.56 10.64 -1.07 -2.44 117.38 125.67 2wh4 n GLN 123 Ca 0.15 -0.93 -0.25 0.00 -1.83 0.00 0.00 57.00 54.14 2wh4 n GLN 123 Cb 0.92 -1.37 -0.08 0.00 -0.86 0.00 0.00 30.24 28.85 2wh4 n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wh4 n ASP 124 N 0.16 1.86 0.29 2.61 9.92 0.95 -3.31 116.55 129.04 2wh4 n ASP 124 Ca 0.15 0.32 0.16 0.00 -0.53 0.00 0.00 54.79 54.89 2wh4 n ASP 124 Cb 0.28 -0.77 0.90 0.00 -0.64 0.00 0.00 41.12 40.90 2wh4 n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2wh4 h ARG 125 N -0.95 0.00 0.00 -1.24 2.47 -1.61 -1.24 114.38 111.82 2wh4 h ARG 125 Ca -0.55 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 2wh4 h ARG 125 Cb 1.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2wh4 h ARG 125 CO -0.33 0.04 -1.35 0.00 0.56 0.00 0.00 179.97 178.88 2wh4 n ALA 126 N -2.26 2.65 -0.03 0.04 0.00 -1.02 -3.94 120.51 115.95 2wh4 n ALA 126 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2wh4 n ALA 126 Cb 0.13 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 18.79 2wh4 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 127 N -2.20 3.42 0.28 0.00 0.00 -0.47 -4.24 120.51 117.30 2wh4 n ALA 127 Ca -0.01 -1.11 0.17 0.00 0.00 0.00 0.00 53.44 52.48 2wh4 n ALA 127 Cb 0.55 -1.10 0.82 0.00 0.00 0.00 0.00 19.45 19.72 2wh4 n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wh4 h GLU 128 N 1.75 0.00 -5.43 0.00 -0.00 -1.66 -3.46 114.58 105.78 2wh4 h GLU 128 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.43 2wh4 h GLU 128 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.18 2wh4 h GLU 128 CO 0.33 0.00 0.00 -2.13 -0.00 0.00 0.00 179.01 177.21 2wh4 n ARG 129 N -2.69 -0.70 -0.80 1.06 3.00 -1.26 -4.66 116.66 110.60 2wh4 n ARG 129 Ca -0.01 -0.35 -0.07 0.00 -0.00 0.00 0.00 57.85 57.42 2wh4 n ARG 129 Cb 0.12 0.62 0.21 0.00 0.00 0.00 0.00 32.46 33.42 2wh4 n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh4 n ALA 130 N -0.66 4.21 -1.53 5.13 0.00 -1.26 -4.91 120.51 121.48 2wh4 n ALA 130 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 53.44 51.21 2wh4 n ALA 130 Cb 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 2wh4 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 131 N -0.16 1.05 0.06 0.00 0.00 -1.26 -4.76 120.51 115.44 2wh4 n ALA 131 Ca 0.33 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2wh4 n ALA 131 Cb 1.18 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2wh4 n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh4 n LYS 132 N 8.69 0.35 -0.22 0.00 5.02 -1.26 -4.47 118.16 126.27 2wh4 n LYS 132 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2wh4 n LYS 132 Cb 0.38 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2wh4 n LYS 132 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wh4 n GLU 133 N 1.38 0.55 -4.54 1.97 -0.58 -1.26 -4.74 120.64 113.43 2wh4 n GLU 133 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 2wh4 n GLU 133 Cb 0.18 -1.23 -0.15 0.00 -0.57 0.00 0.00 31.44 29.67 2wh4 n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2wh4 s GLU 134 N 0.81 1.03 -0.95 3.49 2.56 -1.26 -4.63 118.70 119.74 2wh4 s GLU 134 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.97 54.51 2wh4 s GLU 134 Cb 0.00 -0.98 0.00 0.00 2.00 0.00 0.00 34.13 35.15 2wh4 s GLU 134 CO 0.00 0.24 0.82 0.00 -0.56 0.00 0.00 175.26 175.76 2wh4 n ALA 135 N 2.88 -1.21 0.00 6.30 0.00 -1.26 -4.73 120.51 122.49 2wh4 n ALA 135 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 135 Cb 0.55 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2wh4 n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wh4 n GLN 136 N -3.61 0.00 -2.81 0.00 -0.06 -1.26 -5.03 117.38 104.61 2wh4 n GLN 136 Ca -0.09 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.54 2wh4 n GLN 136 Cb 0.58 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.76 2wh4 n GLN 136 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2wh4 n LYS 137 N 0.00 4.58 0.00 3.69 0.00 -1.26 -5.16 118.16 120.01 2wh4 n LYS 137 Ca 0.00 -4.71 0.00 0.00 0.00 0.00 0.00 58.31 53.60 2wh4 n LYS 137 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 32.63 2wh4 n LYS 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40