#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s ARG 4 N 0.00 2.78 -0.04 -0.72 0.52 -1.26 -0.94 118.95 119.29 2wh4 s ARG 4 Ca 0.00 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 2wh4 s ARG 4 Cb 0.00 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 32.93 2wh4 s ARG 4 CO 0.00 0.47 0.29 -1.17 0.02 0.00 0.00 175.30 174.91 2wh4 s LEU 5 N -3.16 0.91 -0.00 2.53 2.96 0.42 -4.82 118.68 117.52 2wh4 s LEU 5 Ca 0.30 0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 54.17 2wh4 s LEU 5 Cb -0.10 1.15 -0.04 0.00 0.50 0.00 0.00 46.19 47.71 2wh4 s LEU 5 CO 0.22 -0.34 0.81 -0.54 -1.32 0.00 0.00 176.35 175.18 2wh4 s LYS 6 N -0.91 4.50 -0.29 1.98 -0.14 -1.26 0.31 119.74 123.93 2wh4 s LYS 6 Ca -0.10 1.11 -0.00 0.00 -1.36 0.00 0.00 55.97 55.61 2wh4 s LYS 6 Cb -0.05 -3.42 0.14 0.00 -1.68 0.00 0.00 37.83 32.82 2wh4 s LYS 6 CO 0.03 0.11 0.30 0.00 -0.76 0.00 0.00 175.35 175.03 2wh4 s ALA 7 N 0.54 -0.46 0.42 5.17 0.00 -1.16 -4.51 121.76 121.75 2wh4 s ALA 7 Ca 0.42 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.81 2wh4 s ALA 7 Cb -0.20 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.03 2wh4 s ALA 7 CO 0.23 -1.72 1.08 0.71 0.00 0.00 0.00 175.76 176.05 2wh4 s TYR 8 N 2.34 3.17 -0.01 0.00 1.51 -0.59 -4.21 117.35 119.55 2wh4 s TYR 8 Ca 0.10 1.61 -0.30 0.00 -1.01 0.00 0.00 57.07 57.47 2wh4 s TYR 8 Cb -0.14 -3.18 -0.05 0.00 -0.11 0.00 0.00 41.96 38.48 2wh4 s TYR 8 CO -0.32 -0.84 1.31 0.71 -1.11 0.00 0.00 175.55 175.29 2wh4 s TYR 9 N -1.65 3.04 0.44 2.71 1.51 -1.26 -0.04 117.35 122.10 2wh4 s TYR 9 Ca 0.59 1.01 -0.14 0.00 -1.01 0.00 0.00 57.07 57.52 2wh4 s TYR 9 Cb -0.23 -3.55 -0.08 0.00 -0.11 0.00 0.00 41.96 37.99 2wh4 s TYR 9 CO 0.29 -1.92 0.86 0.50 -1.11 0.00 0.00 175.55 174.17 2wh4 s ARG 10 N 2.18 3.91 0.00 -0.62 3.52 0.49 -4.79 118.95 123.63 2wh4 s ARG 10 Ca 0.60 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 2wh4 s ARG 10 Cb -0.29 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 2wh4 s ARG 10 CO 0.25 -0.10 0.00 0.39 -0.81 0.00 0.00 175.30 175.03 2wh4 n GLU 11 N -1.24 0.00 0.00 5.12 4.71 -1.26 -4.47 120.64 123.49 2wh4 n GLU 11 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2wh4 n GLU 11 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 2wh4 n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wh4 n GLY 12 N 3.79 -0.74 3.67 0.62 0.00 -1.26 -5.03 105.19 106.23 2wh4 n GLY 12 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 2wh4 n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh4 n GLU 13 N -0.30 1.52 -1.68 1.61 -0.58 -1.26 -4.82 120.64 115.14 2wh4 n GLU 13 Ca 0.00 0.55 -0.50 0.00 -0.42 0.00 0.00 57.16 56.79 2wh4 n GLU 13 Cb 0.00 -2.35 -0.05 0.00 -0.57 0.00 0.00 31.44 28.47 2wh4 n GLU 13 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wh4 n LYS 14 N 6.23 1.89 0.08 3.49 5.02 -1.26 -4.76 118.16 128.85 2wh4 n LYS 14 Ca 0.27 0.69 0.16 0.00 -2.02 0.00 0.00 58.31 57.41 2wh4 n LYS 14 Cb 0.20 -2.48 0.37 0.00 -0.02 0.00 0.00 35.03 33.10 2wh4 n LYS 14 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2wh4 h PRO 15 N 7.95 0.00 -0.06 1.97 0.11 -2.00 1.43 132.00 141.40 2wh4 h PRO 15 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2wh4 h PRO 15 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wh4 h PRO 15 CO 0.93 0.00 -0.14 1.03 -0.21 0.00 0.00 178.00 179.61 2wh4 h SER 16 N 0.00 0.23 -0.01 -2.05 0.87 -1.97 -1.14 113.55 109.47 2wh4 h SER 16 Ca 0.23 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2wh4 h SER 16 Cb 2.11 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 64.00 2wh4 h SER 16 CO -0.00 0.77 -0.02 0.00 -0.53 0.00 0.00 176.83 177.05 2wh4 h ALA 17 N 0.46 -0.30 -0.38 6.23 0.00 0.16 0.87 119.26 126.30 2wh4 h ALA 17 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wh4 h ALA 17 Cb 0.74 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2wh4 h ALA 17 CO 0.03 -0.31 -0.31 -0.07 0.00 0.00 0.00 179.25 178.59 2wh4 h LEU 18 N -0.01 -1.09 -1.91 0.00 4.07 -1.59 0.82 115.31 115.60 2wh4 h LEU 18 Ca 0.00 0.16 0.35 0.00 0.08 0.00 0.00 57.88 58.47 2wh4 h LEU 18 Cb 0.02 0.47 -0.05 0.00 1.08 0.00 0.00 40.66 42.18 2wh4 h LEU 18 CO -0.02 -0.17 0.93 0.03 -1.08 0.00 0.00 178.44 178.13 2wh4 h ARG 19 N -0.11 0.00 -0.04 1.13 3.08 -0.48 0.90 114.38 118.87 2wh4 h ARG 19 Ca 0.06 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 2wh4 h ARG 19 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.34 2wh4 h ARG 19 CO -0.42 0.00 -0.96 0.00 -1.07 0.00 0.00 179.97 177.52 2wh4 h ARG 20 N 0.00 0.69 0.00 0.04 3.08 0.76 -3.22 114.38 115.74 2wh4 h ARG 20 Ca 0.57 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2wh4 h ARG 20 Cb 2.42 0.18 0.00 0.00 0.08 0.00 0.00 29.97 32.65 2wh4 h ARG 20 CO -0.01 1.28 0.00 0.00 -1.07 0.00 0.00 179.97 180.18 2wh4 n ALA 21 N -2.62 2.02 -0.04 0.04 0.00 0.31 -4.87 120.51 115.35 2wh4 n ALA 21 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wh4 n ALA 21 Cb 0.84 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2wh4 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 22 N 0.47 0.98 3.85 0.00 0.00 -0.82 -5.07 105.19 104.60 2wh4 n GLY 22 Ca 0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2wh4 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s LYS 23 N -0.66 2.67 -0.12 1.61 3.01 -1.09 -2.48 119.74 122.67 2wh4 s LYS 23 Ca 0.00 -1.36 0.03 0.00 -1.01 0.00 0.00 55.97 53.63 2wh4 s LYS 23 Cb 0.00 -2.44 0.01 0.00 -1.01 0.00 0.00 37.83 34.39 2wh4 s LYS 23 CO 0.00 0.04 -0.20 -1.17 0.51 0.00 0.00 175.35 174.53 2wh4 s LEU 24 N -4.02 1.96 0.61 3.17 0.20 0.14 -3.61 118.68 117.14 2wh4 s LEU 24 Ca 0.42 -0.52 -0.13 0.00 0.69 0.00 0.00 54.13 54.59 2wh4 s LEU 24 Cb -0.05 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 2wh4 s LEU 24 CO 0.27 0.07 1.04 -2.84 -0.29 0.00 0.00 176.35 174.59 2wh4 s PRO 25 N 0.77 3.41 0.06 0.98 0.02 -1.26 -1.51 135.00 137.47 2wh4 s PRO 25 Ca -0.10 0.96 -0.20 0.00 0.02 0.00 0.00 61.00 61.68 2wh4 s PRO 25 Cb -0.16 -2.05 0.07 0.00 0.02 0.00 0.00 34.50 32.38 2wh4 s PRO 25 CO 0.01 -0.72 0.94 0.41 -0.33 0.00 0.00 177.00 177.31 2wh4 n GLY 26 N -1.86 0.50 3.08 0.52 0.00 -0.67 -2.39 105.19 104.37 2wh4 n GLY 26 Ca 0.07 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2wh4 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s VAL 27 N -2.10 0.06 -0.01 1.61 0.11 -1.04 -0.71 120.40 118.33 2wh4 s VAL 27 Ca 0.22 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.85 2wh4 s VAL 27 Cb -0.01 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2wh4 s VAL 27 CO 0.02 -0.27 -0.23 0.00 -3.33 0.00 0.00 175.10 171.29 2wh4 s MET 28 N -0.95 2.13 0.13 1.54 0.23 -1.12 0.39 119.30 121.65 2wh4 s MET 28 Ca -0.10 -0.92 -0.25 0.00 -1.03 0.00 0.00 55.69 53.39 2wh4 s MET 28 Cb -0.06 -2.12 0.07 0.00 -1.53 0.00 0.00 34.83 31.19 2wh4 s MET 28 CO 0.01 0.56 0.83 1.52 -2.03 0.00 0.00 175.02 175.91 2wh4 s TYR 29 N -0.71 -0.28 0.14 3.16 -0.85 0.28 -1.24 117.35 117.85 2wh4 s TYR 29 Ca 0.11 0.02 -0.24 0.00 -0.52 0.00 0.00 57.07 56.44 2wh4 s TYR 29 Cb -0.10 0.61 0.08 0.00 0.38 0.00 0.00 41.96 42.92 2wh4 s TYR 29 CO 0.01 -0.82 1.06 0.54 -1.52 0.00 0.00 175.55 174.82 2wh4 s ASN 30 N -2.76 -0.04 0.62 -0.18 6.03 0.51 -0.70 114.94 118.42 2wh4 s ASN 30 Ca 0.08 -0.53 0.21 0.00 -1.03 0.00 0.00 52.86 51.58 2wh4 s ASN 30 Cb -0.02 0.44 0.86 0.00 -3.03 0.00 0.00 41.25 39.50 2wh4 s ASN 30 CO -0.03 -0.86 1.39 -0.09 -2.03 0.00 0.00 177.10 175.48 2wh4 h ARG 31 N 2.00 0.00 0.00 3.55 2.43 -2.02 0.16 114.38 120.50 2wh4 h ARG 31 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2wh4 h ARG 31 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2wh4 h ARG 31 CO 0.33 0.00 -0.69 0.72 -1.51 0.00 0.00 179.97 178.82 2wh4 n HIS 32 N -3.09 0.00 -4.39 2.20 8.25 -1.26 -5.07 115.22 111.86 2wh4 n HIS 32 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.34 2wh4 n HIS 32 Cb 1.13 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 32.12 2wh4 n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wh4 s LEU 33 N -2.71 2.81 0.00 2.41 1.02 0.54 -5.09 118.68 117.66 2wh4 s LEU 33 Ca -0.00 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.32 2wh4 s LEU 33 Cb 0.01 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.85 2wh4 s LEU 33 CO 0.08 0.05 0.00 -3.20 0.02 0.00 0.00 176.35 173.30 2wh4 n ASN 34 N -0.51 0.00 -3.86 2.29 5.15 -1.22 -0.36 115.26 116.75 2wh4 n ASN 34 Ca -0.07 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.71 2wh4 n ASN 34 Cb 0.59 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.67 2wh4 n ASN 34 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2wh4 s ARG 35 N 0.00 0.69 0.24 1.20 1.81 -0.37 -4.99 118.95 117.53 2wh4 s ARG 35 Ca 0.00 -0.04 -0.31 0.00 -1.72 0.00 0.00 55.73 53.66 2wh4 s ARG 35 Cb 0.00 -0.79 -0.11 0.00 -0.45 0.00 0.00 34.95 33.60 2wh4 s ARG 35 CO 0.00 -0.13 1.61 0.15 -0.68 0.00 0.00 175.30 176.25 2wh4 s LYS 36 N 1.10 4.16 0.12 3.54 1.02 -1.26 -2.81 119.74 125.61 2wh4 s LYS 36 Ca -0.08 2.52 0.02 0.00 0.02 0.00 0.00 55.97 58.44 2wh4 s LYS 36 Cb -0.14 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2wh4 s LYS 36 CO -0.01 -0.64 0.13 1.33 -0.92 0.00 0.00 175.35 175.24 2wh4 n VAL 37 N 3.05 0.00 -3.64 3.17 0.24 0.12 -0.38 118.33 120.88 2wh4 n VAL 37 Ca 0.11 -0.80 -0.07 0.00 -2.04 0.00 0.00 64.34 61.54 2wh4 n VAL 37 Cb 0.37 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 33.10 2wh4 n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2wh4 s TYR 38 N -3.12 -0.40 0.26 6.34 -0.85 0.94 -1.67 117.35 118.84 2wh4 s TYR 38 Ca 0.13 0.95 0.06 0.00 -0.52 0.00 0.00 57.07 57.68 2wh4 s TYR 38 Cb 0.00 0.38 -0.06 0.00 0.38 0.00 0.00 41.96 42.66 2wh4 s TYR 38 CO 0.09 -0.19 -0.04 0.14 -1.52 0.00 0.00 175.55 174.03 2wh4 s VAL 39 N 0.35 1.44 0.72 -3.49 -7.23 -0.57 -1.55 120.40 110.08 2wh4 s VAL 39 Ca 0.02 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.98 2wh4 s VAL 39 Cb -0.05 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2wh4 s VAL 39 CO -0.09 -0.31 1.10 -0.62 -0.31 0.00 0.00 175.10 174.86 2wh4 s ASP 40 N -3.40 4.81 0.00 4.85 -1.08 -1.26 -0.69 116.67 119.90 2wh4 s ASP 40 Ca 0.29 1.88 0.00 0.00 -0.52 0.00 0.00 52.55 54.20 2wh4 s ASP 40 Cb 0.04 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2wh4 s ASP 40 CO 0.11 -1.83 0.03 -0.11 0.52 0.00 0.00 175.17 173.89 2wh4 n LEU 41 N -3.06 1.99 0.12 -1.34 0.00 -1.03 -2.09 117.00 111.58 2wh4 n LEU 41 Ca 0.09 0.18 0.20 0.00 0.00 0.00 0.00 56.01 56.48 2wh4 n LEU 41 Cb 0.53 -0.15 0.72 0.00 0.00 0.00 0.00 43.42 44.51 2wh4 n LEU 41 CO 0.51 -0.15 1.17 1.62 0.00 0.00 0.00 177.39 180.55 2wh4 h VAL 42 N 0.00 0.26 -0.17 1.96 3.04 -1.95 1.28 116.25 120.67 2wh4 h VAL 42 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2wh4 h VAL 42 Cb 0.00 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 29.86 2wh4 h VAL 42 CO 0.00 0.00 -0.18 -0.08 -1.01 0.00 0.00 177.57 176.30 2wh4 h GLU 43 N 0.00 0.42 0.63 4.17 4.81 -1.96 -3.08 114.58 119.57 2wh4 h GLU 43 Ca 0.18 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2wh4 h GLU 43 Cb 1.18 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.58 2wh4 h GLU 43 CO -0.00 0.80 -0.30 0.35 -0.73 0.00 0.00 179.01 179.12 2wh4 h PHE 44 N 0.06 -0.79 0.00 0.92 3.04 0.19 -3.30 116.94 117.06 2wh4 h PHE 44 Ca 0.02 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2wh4 h PHE 44 Cb 0.73 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.50 2wh4 h PHE 44 CO 0.08 -0.49 0.00 -3.47 -2.02 0.00 0.00 178.31 172.41 2wh4 n ASP 45 N -5.00 0.00 -0.32 0.41 4.64 0.18 -0.81 116.55 115.66 2wh4 n ASP 45 Ca -0.11 0.41 -0.00 0.00 -1.38 0.00 0.00 54.79 53.71 2wh4 n ASP 45 Cb 0.34 -0.14 0.04 0.00 -1.04 0.00 0.00 41.12 40.32 2wh4 n ASP 45 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2wh4 n LYS 46 N -1.69 -0.18 0.02 -0.67 5.02 -1.16 0.18 118.16 119.68 2wh4 n LYS 46 Ca 0.00 1.29 -0.10 0.00 -2.02 0.00 0.00 58.31 57.48 2wh4 n LYS 46 Cb 0.00 -1.91 -0.04 0.00 -0.02 0.00 0.00 35.03 33.06 2wh4 n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wh4 h VAL 47 N 0.00 0.65 -0.22 -0.18 2.07 -1.05 -2.99 116.25 114.53 2wh4 h VAL 47 Ca 0.30 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.67 2wh4 h VAL 47 Cb 0.51 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2wh4 h VAL 47 CO -0.83 0.00 -0.48 0.15 0.02 0.00 0.00 177.57 176.42 2wh4 h PHE 48 N -0.19 0.72 -0.97 1.57 3.04 0.88 0.31 116.94 122.30 2wh4 h PHE 48 Ca 0.07 -0.23 0.22 0.00 3.98 0.00 0.00 57.97 62.01 2wh4 h PHE 48 Cb 0.29 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.57 2wh4 h PHE 48 CO -0.22 0.96 0.63 0.00 -2.02 0.00 0.00 178.31 177.65 2wh4 h ARG 49 N 0.46 0.45 0.00 1.11 2.47 0.20 0.94 114.38 120.02 2wh4 h ARG 49 Ca 0.02 -0.03 -0.38 0.00 -1.26 0.00 0.00 59.98 58.33 2wh4 h ARG 49 Cb 1.02 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 29.18 2wh4 h ARG 49 CO 0.09 0.30 -2.26 1.04 0.56 0.00 0.00 179.97 179.70 2wh4 n GLN 50 N -4.59 0.53 -0.17 0.04 6.02 -1.20 -4.60 117.38 113.42 2wh4 n GLN 50 Ca 0.22 0.23 -0.04 0.00 -0.01 0.00 0.00 57.00 57.40 2wh4 n GLN 50 Cb 0.74 -1.39 0.05 0.00 1.02 0.00 0.00 30.24 30.66 2wh4 n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wh4 h ALA 51 N -0.90 0.65 -0.96 -1.58 0.00 -0.29 -3.47 119.26 112.71 2wh4 h ALA 51 Ca -0.58 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2wh4 h ALA 51 Cb 1.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2wh4 h ALA 51 CO -0.35 -0.10 0.00 0.45 0.00 0.00 0.00 179.25 179.25 2wh4 n SER 52 N -4.89 0.00 -3.48 0.00 2.88 0.33 -3.29 113.62 105.16 2wh4 n SER 52 Ca 0.05 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.32 2wh4 n SER 52 Cb 0.14 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 2wh4 n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2wh4 n ILE 53 N 0.00 -0.03 0.05 2.46 -6.64 -1.26 -4.77 119.36 109.17 2wh4 n ILE 53 Ca 0.00 -4.09 0.00 0.00 -1.77 0.00 0.00 62.75 56.89 2wh4 n ILE 53 Cb 0.00 -1.89 0.00 0.00 -1.44 0.00 0.00 39.64 36.31 2wh4 n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 2wh4 n HIS 54 N 2.11 -2.40 -3.59 4.28 8.25 -1.21 -4.75 115.22 117.92 2wh4 n HIS 54 Ca 0.26 0.33 -0.40 0.00 -0.26 0.00 0.00 57.72 57.65 2wh4 n HIS 54 Cb 0.45 1.16 -0.11 0.00 1.12 0.00 0.00 29.99 32.61 2wh4 n HIS 54 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2wh4 s HIS 55 N -2.00 3.21 0.35 4.41 2.46 -1.25 -5.00 115.29 117.47 2wh4 s HIS 55 Ca 0.00 -0.40 -0.14 0.00 0.47 0.00 0.00 55.06 54.99 2wh4 s HIS 55 Cb 0.00 -2.42 -0.11 0.00 -0.13 0.00 0.00 32.58 29.92 2wh4 s HIS 55 CO 0.00 -0.41 -0.06 0.28 -2.47 0.00 0.00 174.74 172.08 2wh4 n VAL 56 N 5.05 0.10 -4.73 0.89 0.31 -1.26 -4.76 118.33 113.92 2wh4 n VAL 56 Ca -0.13 -0.37 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 2wh4 n VAL 56 Cb 0.49 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.26 2wh4 n VAL 56 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wh4 s ILE 57 N -1.42 1.85 -0.15 2.52 -1.09 -0.49 -3.20 121.20 119.21 2wh4 s ILE 57 Ca 0.42 -0.86 -0.25 0.00 -2.23 0.00 0.00 60.65 57.73 2wh4 s ILE 57 Cb -0.39 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 2wh4 s ILE 57 CO 0.48 0.51 0.82 -0.69 -1.23 0.00 0.00 174.94 174.82 2wh4 s VAL 58 N 0.74 4.90 -0.38 2.92 1.01 -0.12 -0.65 120.40 128.83 2wh4 s VAL 58 Ca -0.10 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 2wh4 s VAL 58 Cb -0.16 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2wh4 s VAL 58 CO 0.01 0.06 0.25 -0.76 0.00 0.00 0.00 175.10 174.66 2wh4 s LEU 59 N 1.97 4.81 -0.91 3.92 1.43 1.87 0.16 118.68 131.93 2wh4 s LEU 59 Ca 0.38 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 2wh4 s LEU 59 Cb -0.17 -2.10 0.17 0.00 0.03 0.00 0.00 46.19 44.12 2wh4 s LEU 59 CO 0.13 -0.38 1.01 -1.61 0.23 0.00 0.00 176.35 175.73 2wh4 s GLU 60 N 1.64 3.63 0.23 1.70 2.02 0.15 -0.07 118.70 128.00 2wh4 s GLU 60 Ca 0.04 -2.08 -0.30 0.00 0.02 0.00 0.00 54.97 52.65 2wh4 s GLU 60 Cb -0.19 -4.74 -0.09 0.00 0.10 0.00 0.00 34.13 29.22 2wh4 s GLU 60 CO 0.09 -1.58 0.97 -0.51 0.02 0.00 0.00 175.26 174.24 2wh4 s LEU 61 N 1.63 4.61 0.00 1.80 2.01 -0.65 -3.01 118.68 125.08 2wh4 s LEU 61 Ca 0.28 1.98 0.00 0.00 0.01 0.00 0.00 54.13 56.40 2wh4 s LEU 61 Cb -0.07 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.52 2wh4 s LEU 61 CO -0.09 0.08 0.16 -2.65 1.01 0.00 0.00 176.35 174.86 2wh4 n PRO 62 N 1.64 0.00 -1.55 1.29 -0.02 -1.26 -3.76 135.00 131.35 2wh4 n PRO 62 Ca -0.01 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 2wh4 n PRO 62 Cb 0.47 -0.35 -0.11 0.00 -0.02 0.00 0.00 33.50 33.49 2wh4 n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wh4 n ASP 63 N -0.59 1.06 0.00 2.55 9.92 -1.26 -4.60 116.55 123.64 2wh4 n ASP 63 Ca 0.00 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.98 2wh4 n ASP 63 Cb 0.00 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.07 2wh4 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wh4 n GLY 64 N 6.52 0.14 0.00 0.44 0.00 -1.25 -4.84 105.19 106.21 2wh4 n GLY 64 Ca 0.52 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2wh4 n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh4 n GLN 65 N 0.00 0.00 -3.73 1.61 1.13 -1.26 -4.52 117.38 110.61 2wh4 n GLN 65 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2wh4 n GLN 65 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 2wh4 n GLN 65 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wh4 s SER 66 N 0.00 3.80 0.17 1.08 0.15 -1.26 -1.63 113.70 116.01 2wh4 s SER 66 Ca 0.00 -1.46 0.07 0.00 0.70 0.00 0.00 55.95 55.27 2wh4 s SER 66 Cb 0.00 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 2wh4 s SER 66 CO 0.00 -0.39 -0.01 -0.76 1.20 0.00 0.00 173.24 173.28 2wh4 s LEU 67 N 1.69 3.28 -0.06 3.45 1.02 0.90 -4.87 118.68 124.08 2wh4 s LEU 67 Ca 0.07 -0.41 -0.05 0.00 0.02 0.00 0.00 54.13 53.76 2wh4 s LEU 67 Cb -0.17 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 2wh4 s LEU 67 CO -0.23 0.09 0.18 -2.16 0.02 0.00 0.00 176.35 174.25 2wh4 s PRO 68 N -2.90 3.46 0.23 1.29 0.04 -1.26 0.50 135.00 136.36 2wh4 s PRO 68 Ca 0.27 -0.19 -0.15 0.00 0.04 0.00 0.00 61.00 60.97 2wh4 s PRO 68 Cb -0.09 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2wh4 s PRO 68 CO 0.18 0.72 0.51 0.95 0.04 0.00 0.00 177.00 179.40 2wh4 s THR 69 N -1.18 0.01 -0.09 1.26 -4.23 0.18 -3.48 115.64 108.11 2wh4 s THR 69 Ca 0.22 -1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2wh4 s THR 69 Cb -0.12 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.79 2wh4 s THR 69 CO 0.11 -0.06 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.30 2wh4 s LEU 70 N -2.95 1.19 0.13 4.79 1.43 -0.46 -1.40 118.68 121.41 2wh4 s LEU 70 Ca 0.16 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 2wh4 s LEU 70 Cb -0.01 -0.76 -0.11 0.00 0.03 0.00 0.00 46.19 45.35 2wh4 s LEU 70 CO 0.04 -0.10 1.85 -0.69 0.23 0.00 0.00 176.35 177.68 2wh4 s VAL 71 N 1.52 2.47 0.04 -1.59 1.01 -1.26 0.78 120.40 123.37 2wh4 s VAL 71 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.08 2wh4 s VAL 71 Cb -0.13 -3.00 -0.22 0.00 0.00 0.00 0.00 36.38 33.02 2wh4 s VAL 71 CO -0.05 0.00 0.97 0.03 0.00 0.00 0.00 175.10 176.05 2wh4 h ARG 72 N 8.59 0.01 -1.13 2.72 2.47 -1.07 -3.45 114.38 122.52 2wh4 h ARG 72 Ca -0.46 -0.02 0.28 0.00 -1.26 0.00 0.00 59.98 58.52 2wh4 h ARG 72 Cb 1.22 0.01 -0.23 0.00 -1.65 0.00 0.00 29.97 29.32 2wh4 h ARG 72 CO 0.95 0.77 0.94 1.14 0.56 0.00 0.00 179.97 184.32 2wh4 s GLN 73 N -2.65 0.10 -0.13 0.04 -2.07 -1.24 -5.03 119.66 108.67 2wh4 s GLN 73 Ca -0.02 -0.02 -0.00 0.00 -1.82 0.00 0.00 55.36 53.50 2wh4 s GLN 73 Cb 0.09 0.05 0.02 0.00 -1.09 0.00 0.00 33.01 32.08 2wh4 s GLN 73 CO 0.82 -0.04 -0.10 0.08 -1.32 0.00 0.00 175.29 174.73 2wh4 s VAL 74 N -1.72 1.26 0.01 3.63 1.01 -1.26 -2.64 120.40 120.70 2wh4 s VAL 74 Ca 0.10 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2wh4 s VAL 74 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2wh4 s VAL 74 CO -0.05 0.40 0.78 0.20 0.00 0.00 0.00 175.10 176.43 2wh4 s ASN 75 N 1.61 7.17 -0.03 3.32 -0.87 0.05 -4.98 114.94 121.21 2wh4 s ASN 75 Ca 0.05 1.40 -0.00 0.00 -1.57 0.00 0.00 52.86 52.74 2wh4 s ASN 75 Cb -0.13 -2.47 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 2wh4 s ASN 75 CO -0.09 -0.06 0.03 -0.76 -2.57 0.00 0.00 177.10 173.65 2wh4 s LEU 76 N 0.34 3.68 -0.92 0.60 2.01 -1.26 -0.37 118.68 122.76 2wh4 s LEU 76 Ca 0.40 0.10 -0.24 0.00 0.01 0.00 0.00 54.13 54.39 2wh4 s LEU 76 Cb -0.20 -2.05 0.04 0.00 0.01 0.00 0.00 46.19 44.00 2wh4 s LEU 76 CO 0.22 0.31 1.42 -0.62 1.01 0.00 0.00 176.35 178.69 2wh4 s ASP 77 N -1.42 6.32 0.00 2.29 2.15 0.26 -4.85 116.67 121.42 2wh4 s ASP 77 Ca 0.19 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 52.09 2wh4 s ASP 77 Cb -0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2wh4 s ASP 77 CO 0.09 -1.68 0.34 0.29 -0.17 0.00 0.00 175.17 174.04 2wh4 n LYS 78 N 9.05 0.00 -2.40 4.34 4.76 -1.26 -3.12 118.16 129.53 2wh4 n LYS 78 Ca 0.24 0.34 -0.39 0.00 -2.87 0.00 0.00 58.31 55.62 2wh4 n LYS 78 Cb 0.50 -0.54 -0.03 0.00 -1.84 0.00 0.00 35.03 33.12 2wh4 n LYS 78 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2wh4 s ARG 79 N -2.38 4.35 -0.82 1.97 1.70 -1.26 -3.64 118.95 118.88 2wh4 s ARG 79 Ca 0.00 1.80 -0.02 0.00 -0.47 0.00 0.00 55.73 57.04 2wh4 s ARG 79 Cb 0.00 -2.91 -0.01 0.00 -0.57 0.00 0.00 34.95 31.46 2wh4 s ARG 79 CO 0.00 -0.05 0.74 -2.13 -1.08 0.00 0.00 175.30 172.79 2wh4 n ARG 80 N 0.59 -1.52 -1.46 3.89 0.00 -1.26 -4.82 116.66 112.10 2wh4 n ARG 80 Ca 0.02 1.29 -0.47 0.00 -0.00 0.00 0.00 57.85 58.69 2wh4 n ARG 80 Cb 0.46 -5.52 -0.03 0.00 0.00 0.00 0.00 32.46 27.37 2wh4 n ARG 80 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2wh4 n ARG 81 N -2.20 0.38 0.00 -0.14 1.85 -1.18 -4.68 116.66 110.69 2wh4 n ARG 81 Ca -0.04 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2wh4 n ARG 81 Cb 0.54 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 2wh4 n ARG 81 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2wh4 n ARG 82 N 0.95 0.00 -2.07 2.89 0.63 -1.26 -4.94 116.66 112.87 2wh4 n ARG 82 Ca 0.16 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.68 2wh4 n ARG 82 Cb 0.26 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.16 2wh4 n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2wh4 s PRO 83 N -1.74 4.26 -0.18 -0.14 0.04 -1.26 -0.58 135.00 135.39 2wh4 s PRO 83 Ca 0.00 2.25 -0.08 0.00 0.04 0.00 0.00 61.00 63.21 2wh4 s PRO 83 Cb 0.00 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.46 2wh4 s PRO 83 CO 0.00 -0.28 -0.22 0.39 0.04 0.00 0.00 177.00 176.92 2wh4 n GLU 84 N 0.63 0.39 -3.64 4.56 1.02 0.50 -4.78 120.64 119.32 2wh4 n GLU 84 Ca 0.01 0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 57.16 2wh4 n GLU 84 Cb 0.42 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.59 2wh4 n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2wh4 s HIS 85 N -2.33 -0.67 -0.01 -0.32 5.04 -1.22 -4.25 115.29 111.54 2wh4 s HIS 85 Ca -0.25 1.53 0.02 0.00 -1.54 0.00 0.00 55.06 54.82 2wh4 s HIS 85 Cb 0.09 0.26 -0.00 0.00 0.04 0.00 0.00 32.58 32.97 2wh4 s HIS 85 CO 0.33 -0.39 -0.06 0.14 -2.34 0.00 0.00 174.74 172.41 2wh4 s VAL 86 N -0.03 0.50 -0.04 0.89 -7.23 -1.01 -0.77 120.40 112.72 2wh4 s VAL 86 Ca -0.03 -0.27 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 2wh4 s VAL 86 Cb -0.04 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 2wh4 s VAL 86 CO 0.03 0.14 -0.19 1.51 -0.31 0.00 0.00 175.10 176.28 2wh4 s ASP 87 N -0.15 3.60 -0.11 4.85 3.84 -1.08 -2.50 116.67 125.12 2wh4 s ASP 87 Ca 0.02 -0.32 -0.03 0.00 -0.00 0.00 0.00 52.55 52.22 2wh4 s ASP 87 Cb -0.02 -0.65 -0.03 0.00 -1.38 0.00 0.00 42.92 40.83 2wh4 s ASP 87 CO -0.00 0.33 0.01 -0.36 -0.00 0.00 0.00 175.17 175.15 2wh4 s PHE 88 N -0.65 3.17 -0.49 2.11 0.40 0.16 -0.42 117.98 122.26 2wh4 s PHE 88 Ca 0.10 0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.35 2wh4 s PHE 88 Cb -0.11 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.62 2wh4 s PHE 88 CO 0.00 0.35 0.56 0.12 0.70 0.00 0.00 175.22 176.95 2wh4 s PHE 89 N -0.50 3.10 -0.32 0.36 5.99 0.23 -0.56 117.98 126.29 2wh4 s PHE 89 Ca 0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 56.93 56.14 2wh4 s PHE 89 Cb -0.12 -3.39 -0.00 0.00 0.00 0.00 0.00 43.02 39.51 2wh4 s PHE 89 CO 0.02 -0.94 1.45 0.08 -0.00 0.00 0.00 175.22 175.83 2wh4 s VAL 90 N 2.38 3.90 0.52 3.12 1.01 0.12 -1.35 120.40 130.11 2wh4 s VAL 90 Ca 0.13 0.98 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 2wh4 s VAL 90 Cb -0.20 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2wh4 s VAL 90 CO 0.11 -0.52 1.03 -0.76 0.00 0.00 0.00 175.10 174.96 2wh4 s LEU 91 N 5.14 3.70 0.00 3.92 1.02 -1.23 -4.57 118.68 126.66 2wh4 s LEU 91 Ca 0.63 1.81 0.00 0.00 0.02 0.00 0.00 54.13 56.59 2wh4 s LEU 91 Cb -0.18 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.49 2wh4 s LEU 91 CO 0.29 -0.84 0.00 -0.24 0.02 0.00 0.00 176.35 175.58 2wh4 n SER 92 N -1.40 0.00 0.00 2.29 2.88 -1.26 -4.92 113.62 111.21 2wh4 n SER 92 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2wh4 n SER 92 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2wh4 n SER 92 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wh4 n ASP 93 N -1.08 0.00 -4.72 -3.46 5.68 -1.26 -5.00 116.55 106.71 2wh4 n ASP 93 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 2wh4 n ASP 93 Cb 0.00 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.11 2wh4 n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2wh4 s GLU 94 N 0.00 1.66 -0.75 0.11 0.41 -1.26 -4.17 118.70 114.70 2wh4 s GLU 94 Ca 0.00 1.39 -0.26 0.00 -0.41 0.00 0.00 54.97 55.70 2wh4 s GLU 94 Cb 0.00 -1.81 -0.13 0.00 -1.78 0.00 0.00 34.13 30.40 2wh4 s GLU 94 CO 0.00 -2.13 2.42 -2.30 -0.49 0.00 0.00 175.26 172.76 2wh4 n PRO 95 N -3.80 0.62 -1.91 0.39 -0.02 -1.25 -4.38 135.00 124.65 2wh4 n PRO 95 Ca 0.11 -0.71 -0.38 0.00 -2.02 0.00 0.00 63.50 60.50 2wh4 n PRO 95 Cb 0.52 -3.61 0.03 0.00 -0.02 0.00 0.00 33.50 30.42 2wh4 n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wh4 s VAL 96 N 14.22 2.34 -0.36 -1.45 1.01 -0.25 -4.62 120.40 131.29 2wh4 s VAL 96 Ca 0.95 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.04 2wh4 s VAL 96 Cb -0.15 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2wh4 s VAL 96 CO 0.12 0.00 0.29 -0.70 0.00 0.00 0.00 175.10 174.81 2wh4 s GLU 97 N -2.80 3.41 0.36 2.72 2.56 -1.26 -3.15 118.70 120.53 2wh4 s GLU 97 Ca 0.68 -0.65 -0.09 0.00 0.00 0.00 0.00 54.97 54.92 2wh4 s GLU 97 Cb -0.38 -3.84 0.02 0.00 2.00 0.00 0.00 34.13 31.93 2wh4 s GLU 97 CO 0.45 -0.54 0.61 0.00 -0.56 0.00 0.00 175.26 175.23 2wh4 s MET 98 N 1.82 2.04 0.10 4.30 0.23 -1.07 -4.96 119.30 121.75 2wh4 s MET 98 Ca 0.08 -1.60 0.02 0.00 -1.03 0.00 0.00 55.69 53.16 2wh4 s MET 98 Cb -0.17 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2wh4 s MET 98 CO 0.11 -0.90 0.16 0.71 -2.03 0.00 0.00 175.02 173.07 2wh4 s TYR 99 N -2.78 3.32 -0.14 3.16 4.12 -1.26 0.13 117.35 123.91 2wh4 s TYR 99 Ca 0.24 0.12 0.00 0.00 0.02 0.00 0.00 57.07 57.45 2wh4 s TYR 99 Cb -0.03 -1.65 0.02 0.00 -1.52 0.00 0.00 41.96 38.79 2wh4 s TYR 99 CO 0.16 0.54 -0.13 0.08 0.02 0.00 0.00 175.55 176.22 2wh4 s VAL 100 N -1.54 1.49 1.02 0.71 1.01 0.86 -4.70 120.40 119.26 2wh4 s VAL 100 Ca 0.32 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2wh4 s VAL 100 Cb -0.12 -1.40 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 2wh4 s VAL 100 CO 0.25 0.44 -0.88 -2.65 0.00 0.00 0.00 175.10 172.27 2wh4 n PRO 101 N 4.70 -0.39 -4.23 2.72 -0.02 -1.26 -2.60 135.00 133.92 2wh4 n PRO 101 Ca -0.17 -0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 60.97 2wh4 n PRO 101 Cb 0.50 -1.24 -0.17 0.00 -0.02 0.00 0.00 33.50 32.58 2wh4 n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wh4 s LEU 102 N 5.07 1.35 -0.61 2.45 1.02 -1.05 -2.35 118.68 124.56 2wh4 s LEU 102 Ca 0.43 -0.22 -0.09 0.00 0.02 0.00 0.00 54.13 54.27 2wh4 s LEU 102 Cb -0.03 -0.67 0.16 0.00 0.02 0.00 0.00 46.19 45.67 2wh4 s LEU 102 CO 0.70 -0.05 0.49 -0.13 0.02 0.00 0.00 176.35 177.38 2wh4 s ARG 103 N 1.08 2.83 -1.30 1.70 0.52 -0.43 -4.90 118.95 118.45 2wh4 s ARG 103 Ca -0.08 -2.16 -0.17 0.00 -0.52 0.00 0.00 55.73 52.80 2wh4 s ARG 103 Cb -0.14 -4.03 0.02 0.00 0.52 0.00 0.00 34.95 31.31 2wh4 s ARG 103 CO -0.01 -1.22 2.00 1.19 0.02 0.00 0.00 175.30 177.28 2wh4 n PHE 104 N 4.29 3.67 -2.68 -0.53 3.72 -1.26 -1.44 117.46 123.22 2wh4 n PHE 104 Ca 0.02 -2.68 -0.41 0.00 -0.05 0.00 0.00 57.45 54.33 2wh4 n PHE 104 Cb 0.42 -2.49 -0.04 0.00 -0.94 0.00 0.00 39.48 36.43 2wh4 n PHE 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2wh4 s VAL 105 N 4.38 4.54 0.00 -4.37 0.11 -1.07 -4.69 120.40 119.30 2wh4 s VAL 105 Ca 0.52 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.56 2wh4 s VAL 105 Cb 0.09 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2wh4 s VAL 105 CO 0.01 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2wh4 n GLY 106 N 2.52 1.16 3.58 6.54 0.00 -1.26 -2.94 105.19 114.79 2wh4 n GLY 106 Ca 0.04 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 2wh4 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wh4 s THR 107 N 0.00 3.38 0.75 2.61 -4.23 -1.26 -3.34 115.64 113.55 2wh4 s THR 107 Ca 0.00 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 2wh4 s THR 107 Cb 0.00 -3.62 0.07 0.00 1.34 0.00 0.00 72.50 70.28 2wh4 s THR 107 CO 0.00 -0.47 0.06 -0.81 -0.54 0.00 0.00 174.62 172.86 2wh4 n PRO 108 N 8.67 -1.02 0.00 3.99 -0.04 -0.79 -4.75 135.00 141.06 2wh4 n PRO 108 Ca 0.24 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2wh4 n PRO 108 Cb 0.49 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2wh4 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh4 n ALA 109 N -3.65 0.00 -1.70 0.55 0.00 -0.99 -4.49 120.51 110.23 2wh4 n ALA 109 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wh4 n ALA 109 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2wh4 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 110 N 1.51 0.00 1.21 0.00 0.00 -1.22 -4.80 105.19 101.88 2wh4 n GLY 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2wh4 n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wh4 n VAL 111 N -0.33 0.00 0.00 1.61 3.14 -1.26 -4.26 118.33 117.23 2wh4 n VAL 111 Ca 0.00 -0.84 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 2wh4 n VAL 111 Cb 0.00 0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 2wh4 n VAL 111 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2wh4 n ARG 112 N -0.35 0.00 0.00 1.45 0.63 -1.26 -3.32 116.66 113.81 2wh4 n ARG 112 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2wh4 n ARG 112 Cb 0.22 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.13 2wh4 n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh4 n ALA 113 N 0.27 0.00 0.00 5.13 0.00 -1.26 -4.78 120.51 119.88 2wh4 n ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 113 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2wh4 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 114 N -0.88 0.00 3.66 0.00 0.00 -1.21 -5.05 105.19 101.71 2wh4 n GLY 114 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wh4 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 115 N 0.00 -0.41 2.88 -0.02 0.00 -1.26 -3.56 105.19 102.82 2wh4 n GLY 115 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2wh4 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 116 N -2.61 0.01 -0.08 1.61 1.01 -0.01 -4.85 120.40 115.49 2wh4 s VAL 116 Ca 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2wh4 s VAL 116 Cb -0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2wh4 s VAL 116 CO 0.58 -0.04 -0.06 -1.48 0.00 0.00 0.00 175.10 174.10 2wh4 s LEU 117 N -0.11 3.23 -0.31 3.92 2.34 -1.26 0.17 118.68 126.66 2wh4 s LEU 117 Ca -0.01 -0.01 -0.10 0.00 0.06 0.00 0.00 54.13 54.07 2wh4 s LEU 117 Cb -0.01 -1.71 -0.02 0.00 -0.56 0.00 0.00 46.19 43.89 2wh4 s LEU 117 CO -0.00 0.35 0.17 -1.58 -1.06 0.00 0.00 176.35 174.23 2wh4 s GLN 118 N -0.72 3.51 0.00 1.48 0.74 0.55 -4.95 119.66 120.26 2wh4 s GLN 118 Ca 0.11 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 54.91 2wh4 s GLN 118 Cb -0.11 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.39 2wh4 s GLN 118 CO 0.02 -0.36 0.25 -0.85 -0.55 0.00 0.00 175.29 173.79 2wh4 n GLU 119 N 5.02 0.43 0.00 1.67 0.28 -1.26 -1.81 120.64 124.97 2wh4 n GLU 119 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 2wh4 n GLU 119 Cb 0.50 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.18 2wh4 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2wh4 n ILE 120 N 0.17 0.00 -2.03 3.84 5.41 -1.26 -2.17 119.36 123.33 2wh4 n ILE 120 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2wh4 n ILE 120 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 2wh4 n ILE 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2wh4 n HIS 121 N 0.00 -1.45 0.32 1.39 -0.00 -1.26 -3.59 115.22 110.63 2wh4 n HIS 121 Ca 0.00 0.60 0.01 0.00 0.46 0.00 0.00 57.72 58.79 2wh4 n HIS 121 Cb 0.00 -2.54 0.06 0.00 -0.12 0.00 0.00 29.99 27.39 2wh4 n HIS 121 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2wh4 n ARG 122 N -0.28 0.16 -3.00 1.57 0.63 -0.92 -4.76 116.66 110.07 2wh4 n ARG 122 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2wh4 n ARG 122 Cb 0.15 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.86 2wh4 n ARG 122 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2wh4 n ASP 123 N -0.70 0.00 -3.64 6.15 5.68 -1.26 -2.54 116.55 120.25 2wh4 n ASP 123 Ca 0.02 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.15 2wh4 n ASP 123 Cb 0.01 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 2wh4 n ASP 123 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2wh4 s ILE 124 N -3.00 0.03 0.44 2.12 2.07 -1.07 -4.95 121.20 116.84 2wh4 s ILE 124 Ca 0.00 -0.24 -0.20 0.00 -1.41 0.00 0.00 60.65 58.80 2wh4 s ILE 124 Cb 0.00 -0.81 -0.10 0.00 0.13 0.00 0.00 42.46 41.68 2wh4 s ILE 124 CO 0.00 -0.13 0.96 -0.22 -1.91 0.00 0.00 174.94 173.64 2wh4 s LEU 125 N -1.27 3.89 -0.19 8.50 2.96 -1.26 -0.10 118.68 131.23 2wh4 s LEU 125 Ca -0.12 1.68 -0.27 0.00 -0.22 0.00 0.00 54.13 55.20 2wh4 s LEU 125 Cb -0.03 -4.54 0.07 0.00 0.50 0.00 0.00 46.19 42.20 2wh4 s LEU 125 CO 0.07 -0.41 0.71 0.68 -1.32 0.00 0.00 176.35 176.09 2wh4 s VAL 126 N -2.23 0.00 -0.19 1.68 -7.23 0.35 -2.49 120.40 110.29 2wh4 s VAL 126 Ca 0.62 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.55 2wh4 s VAL 126 Cb -0.09 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 2wh4 s VAL 126 CO 0.16 0.00 0.79 -0.54 -0.31 0.00 0.00 175.10 175.20 2wh4 s LYS 127 N -0.23 4.26 0.31 4.82 1.02 0.24 -2.61 119.74 127.55 2wh4 s LYS 127 Ca -0.04 0.92 -0.18 0.00 0.02 0.00 0.00 55.97 56.69 2wh4 s LYS 127 Cb -0.03 -3.58 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 2wh4 s LYS 127 CO 0.04 -0.34 0.71 0.54 -0.92 0.00 0.00 175.35 175.39 2wh4 s VAL 128 N 2.20 0.00 -0.02 3.17 0.11 -1.19 -2.01 120.40 122.66 2wh4 s VAL 128 Ca 0.36 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2wh4 s VAL 128 Cb -0.16 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 2wh4 s VAL 128 CO 0.11 0.00 0.10 -0.55 -3.33 0.00 0.00 175.10 171.44 2wh4 s SER 129 N -2.98 5.86 0.41 3.54 0.15 -1.26 -1.09 113.70 118.32 2wh4 s SER 129 Ca 0.14 0.21 0.35 0.00 0.70 0.00 0.00 55.95 57.35 2wh4 s SER 129 Cb -0.05 -1.74 1.31 0.00 -1.71 0.00 0.00 66.02 63.84 2wh4 s SER 129 CO 0.09 0.29 1.25 -2.65 1.20 0.00 0.00 173.24 173.41 2wh4 n PRO 130 N 1.24 -0.01 0.00 5.44 -0.02 -1.26 -1.74 135.00 138.65 2wh4 n PRO 130 Ca -0.13 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2wh4 n PRO 130 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2wh4 n PRO 130 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2wh4 n ARG 131 N -3.82 0.00 0.13 -0.52 1.85 -1.26 -3.73 116.66 109.31 2wh4 n ARG 131 Ca 0.34 0.47 0.17 0.00 -1.00 0.00 0.00 57.85 57.83 2wh4 n ARG 131 Cb 1.48 -1.25 0.53 0.00 -1.05 0.00 0.00 32.46 32.18 2wh4 n ARG 131 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2wh4 h ASN 132 N 0.00 0.00 0.00 2.89 2.35 -1.68 -3.43 115.58 115.71 2wh4 h ASN 132 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 2wh4 h ASN 132 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 2wh4 h ASN 132 CO 0.00 0.00 1.14 -0.38 -1.65 0.00 0.00 177.43 176.54 2wh4 n ILE 133 N -3.12 0.00 -2.47 2.81 5.41 -1.14 -4.84 119.36 116.01 2wh4 n ILE 133 Ca 0.07 -0.05 -0.35 0.00 1.00 0.00 0.00 62.75 63.42 2wh4 n ILE 133 Cb 0.86 -0.27 -0.03 0.00 -0.71 0.00 0.00 39.64 39.49 2wh4 n ILE 133 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wh4 s PRO 134 N 5.51 3.88 0.00 0.38 0.04 -1.26 -4.92 135.00 138.63 2wh4 s PRO 134 Ca 0.86 1.50 0.14 0.00 0.04 0.00 0.00 61.00 63.54 2wh4 s PRO 134 Cb -0.76 -2.29 0.77 0.00 0.04 0.00 0.00 34.50 32.26 2wh4 s PRO 134 CO 0.32 -0.39 1.35 -1.91 0.04 0.00 0.00 177.00 176.41 2wh4 n GLU 135 N -0.60 0.29 -3.95 4.56 2.13 -1.26 -4.88 120.64 116.93 2wh4 n GLU 135 Ca 0.08 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2wh4 n GLU 135 Cb 0.51 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.72 2wh4 n GLU 135 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2wh4 n PHE 136 N -1.18 0.00 -3.61 4.31 1.16 -1.26 -4.77 117.46 112.11 2wh4 n PHE 136 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.59 2wh4 n PHE 136 Cb 0.09 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.87 2wh4 n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wh4 s ILE 137 N -3.00 -0.69 0.10 1.97 1.01 -0.99 -4.89 121.20 114.71 2wh4 s ILE 137 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 2wh4 s ILE 137 Cb 0.00 -0.72 -0.07 0.00 0.01 0.00 0.00 42.46 41.68 2wh4 s ILE 137 CO 0.00 0.04 0.71 -1.61 0.00 0.00 0.00 174.94 174.08 2wh4 s GLU 138 N 2.64 4.45 -0.05 2.79 2.02 -1.26 -1.32 118.70 127.97 2wh4 s GLU 138 Ca 0.00 1.01 -0.02 0.00 0.02 0.00 0.00 54.97 55.99 2wh4 s GLU 138 Cb -0.12 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.84 2wh4 s GLU 138 CO -0.14 0.49 0.03 0.08 0.02 0.00 0.00 175.26 175.74 2wh4 s VAL 139 N -0.76 0.10 -0.37 2.63 1.01 -0.52 -4.75 120.40 117.75 2wh4 s VAL 139 Ca 0.35 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 2wh4 s VAL 139 Cb -0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2wh4 s VAL 139 CO 0.23 0.21 1.65 1.51 0.00 0.00 0.00 175.10 178.70 2wh4 s ASP 140 N 2.06 6.06 -0.55 3.32 3.84 -1.26 -2.60 116.67 127.54 2wh4 s ASP 140 Ca 0.05 1.10 0.02 0.00 -0.00 0.00 0.00 52.55 53.72 2wh4 s ASP 140 Cb -0.12 -2.53 0.42 0.00 -1.38 0.00 0.00 42.92 39.31 2wh4 s ASP 140 CO -0.04 -1.61 1.55 0.55 -0.00 0.00 0.00 175.17 175.62 2wh4 n VAL 141 N 7.28 2.98 -0.04 2.11 3.14 -1.15 -4.48 118.33 128.16 2wh4 n VAL 141 Ca 0.20 -4.15 0.00 0.00 -2.96 0.00 0.00 64.34 57.43 2wh4 n VAL 141 Cb 0.47 -1.20 -0.13 0.00 -1.06 0.00 0.00 33.84 31.91 2wh4 n VAL 141 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2wh4 n SER 142 N -0.65 0.91 -2.59 6.55 3.41 -1.21 -1.89 113.62 118.15 2wh4 n SER 142 Ca 0.49 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.79 2wh4 n SER 142 Cb 0.64 1.36 -0.01 0.00 -0.26 0.00 0.00 64.21 65.94 2wh4 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh4 n GLY 143 N 1.73 4.82 3.10 5.00 0.00 -1.26 -2.59 105.19 115.99 2wh4 n GLY 143 Ca -0.15 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 2wh4 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh4 s LEU 144 N -2.90 1.92 0.34 0.99 2.01 -1.26 -4.98 118.68 114.80 2wh4 s LEU 144 Ca 0.55 -0.54 -0.09 0.00 0.01 0.00 0.00 54.13 54.06 2wh4 s LEU 144 Cb 0.40 -1.30 -0.06 0.00 0.01 0.00 0.00 46.19 45.24 2wh4 s LEU 144 CO -0.26 0.02 0.67 -1.61 1.01 0.00 0.00 176.35 176.17 2wh4 s GLU 145 N 1.10 3.74 0.00 1.70 0.41 -1.26 -2.34 118.70 122.05 2wh4 s GLU 145 Ca -0.02 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.83 2wh4 s GLU 145 Cb -0.14 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 2wh4 s GLU 145 CO -0.06 0.11 0.83 0.44 -0.49 0.00 0.00 175.26 176.08 2wh4 n ILE 146 N -0.98 0.00 -0.27 -1.63 -5.35 -1.26 -2.37 119.36 107.50 2wh4 n ILE 146 Ca 0.01 1.33 0.26 0.00 -0.27 0.00 0.00 62.75 64.07 2wh4 n ILE 146 Cb 0.54 -1.84 0.46 0.00 -1.74 0.00 0.00 39.64 37.07 2wh4 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh4 n GLY 147 N -1.00 -0.58 3.89 3.28 0.00 -1.26 -4.07 105.19 105.44 2wh4 n GLY 147 Ca 0.00 0.60 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 2wh4 n GLY 147 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wh4 s ASP 148 N -4.56 4.87 0.22 1.61 -4.77 -1.00 -4.92 116.67 108.11 2wh4 s ASP 148 Ca -0.06 -0.94 -0.20 0.00 -3.30 0.00 0.00 52.55 48.04 2wh4 s ASP 148 Cb 0.25 -0.17 0.03 0.00 -1.09 0.00 0.00 42.92 41.95 2wh4 s ASP 148 CO 0.60 -0.85 0.60 -0.55 0.70 0.00 0.00 175.17 175.67 2wh4 s SER 149 N -4.21 -0.32 0.26 2.11 0.15 -1.26 -3.83 113.70 106.60 2wh4 s SER 149 Ca 0.44 -0.45 0.09 0.00 0.70 0.00 0.00 55.95 56.73 2wh4 s SER 149 Cb -0.02 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2wh4 s SER 149 CO 0.26 -1.14 -0.13 -1.48 1.20 0.00 0.00 173.24 171.95 2wh4 s LEU 150 N -2.87 2.56 0.00 3.45 -0.00 -1.20 -5.05 118.68 115.57 2wh4 s LEU 150 Ca 0.09 -1.09 0.00 0.00 -0.00 0.00 0.00 54.13 53.13 2wh4 s LEU 150 Cb -0.03 -0.80 0.00 0.00 -0.00 0.00 0.00 46.19 45.36 2wh4 s LEU 150 CO -0.01 -0.17 0.00 0.00 -0.00 0.00 0.00 176.35 176.17 2wh4 n HIS 151 N -0.54 0.00 0.00 3.48 1.44 -1.26 -3.18 115.22 115.15 2wh4 n HIS 151 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2wh4 n HIS 151 Cb 0.61 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.72 2wh4 n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wh4 n ALA 152 N -2.85 0.00 -2.60 1.59 0.00 -1.17 -4.13 120.51 111.34 2wh4 n ALA 152 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wh4 n ALA 152 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2wh4 n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh4 s SER 153 N -2.69 6.59 0.00 0.00 0.15 -1.26 -3.98 113.70 112.52 2wh4 s SER 153 Ca 0.00 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 54.91 2wh4 s SER 153 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2wh4 s SER 153 CO 0.00 -1.39 0.12 0.47 1.20 0.00 0.00 173.24 173.65 2wh4 n ASP 154 N 8.52 0.00 -4.21 5.45 8.00 -1.26 -5.07 116.55 127.98 2wh4 n ASP 154 Ca 0.36 -1.01 -0.38 0.00 0.71 0.00 0.00 54.79 54.46 2wh4 n ASP 154 Cb 0.50 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 2wh4 n ASP 154 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wh4 s LEU 155 N 0.00 4.98 -0.88 0.64 1.43 -1.26 -4.95 118.68 118.64 2wh4 s LEU 155 Ca 0.00 -1.61 -0.25 0.00 -1.03 0.00 0.00 54.13 51.24 2wh4 s LEU 155 Cb 0.00 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2wh4 s LEU 155 CO 0.00 -0.50 1.70 -0.75 0.23 0.00 0.00 176.35 177.03 2wh4 s LYS 156 N 1.32 2.97 0.27 1.70 2.20 -1.26 -4.95 119.74 121.99 2wh4 s LYS 156 Ca 0.03 -0.44 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 2wh4 s LYS 156 Cb -0.22 -4.97 -0.09 0.00 -1.51 0.00 0.00 37.83 31.04 2wh4 s LYS 156 CO -0.00 -2.77 0.74 -0.51 -0.36 0.00 0.00 175.35 172.45 2wh4 s LEU 157 N 7.79 4.22 1.31 5.43 1.02 -1.26 -4.90 118.68 132.29 2wh4 s LEU 157 Ca 0.58 1.38 -0.20 0.00 0.02 0.00 0.00 54.13 55.91 2wh4 s LEU 157 Cb -0.05 -3.82 0.31 0.00 0.02 0.00 0.00 46.19 42.64 2wh4 s LEU 157 CO 0.01 -0.08 0.71 -0.81 0.02 0.00 0.00 176.35 176.20 2wh4 n PRO 158 N 0.24 -3.88 -2.32 1.29 -0.04 -1.26 -4.89 135.00 124.15 2wh4 n PRO 158 Ca 0.00 -1.15 -0.40 0.00 -0.04 0.00 0.00 63.50 61.91 2wh4 n PRO 158 Cb 0.52 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 2wh4 n PRO 158 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2wh4 s PRO 159 N -4.49 4.51 0.00 0.54 0.02 -1.26 -3.02 135.00 131.30 2wh4 s PRO 159 Ca 0.57 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2wh4 s PRO 159 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2wh4 s PRO 159 CO 0.50 0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.61 2wh4 n GLY 160 N 1.01 0.21 3.16 0.52 0.00 -1.26 -4.89 105.19 103.95 2wh4 n GLY 160 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wh4 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 161 N -1.45 4.47 0.24 1.61 1.01 -1.17 -4.43 120.40 120.68 2wh4 s VAL 161 Ca 0.00 -3.30 -0.25 0.00 0.00 0.00 0.00 61.98 58.42 2wh4 s VAL 161 Cb 0.00 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2wh4 s VAL 161 CO 0.00 -1.01 0.85 -0.70 0.00 0.00 0.00 175.10 174.24 2wh4 s GLU 162 N -0.66 4.58 0.47 2.72 2.12 -0.85 -4.65 118.70 122.42 2wh4 s GLU 162 Ca 0.23 1.23 -0.21 0.00 0.36 0.00 0.00 54.97 56.57 2wh4 s GLU 162 Cb -0.13 -3.05 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 2wh4 s GLU 162 CO -0.08 0.44 1.06 -1.17 -0.54 0.00 0.00 175.26 174.96 2wh4 s LEU 163 N -1.59 3.91 -0.13 2.70 0.20 -1.26 -0.59 118.68 121.92 2wh4 s LEU 163 Ca 0.43 2.00 -0.02 0.00 0.69 0.00 0.00 54.13 57.23 2wh4 s LEU 163 Cb -0.21 -4.46 -0.08 0.00 -0.43 0.00 0.00 46.19 41.01 2wh4 s LEU 163 CO 0.26 -0.76 -0.13 0.00 -0.29 0.00 0.00 176.35 175.42 2wh4 n ALA 164 N -0.77 1.85 -1.21 5.97 0.00 -1.04 -4.48 120.51 120.83 2wh4 n ALA 164 Ca 0.08 -0.55 -0.18 0.00 0.00 0.00 0.00 53.44 52.80 2wh4 n ALA 164 Cb 0.51 0.24 0.21 0.00 0.00 0.00 0.00 19.45 20.42 2wh4 n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh4 n VAL 165 N -3.12 0.00 0.00 0.00 0.31 -1.25 -4.93 118.33 109.34 2wh4 n VAL 165 Ca -0.24 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2wh4 n VAL 165 Cb 0.73 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2wh4 n VAL 165 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wh4 n SER 166 N -4.47 0.00 -4.76 4.52 3.41 -1.26 -4.94 113.62 106.11 2wh4 n SER 166 Ca 0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 2wh4 n SER 166 Cb 0.52 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 2wh4 n SER 166 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2wh4 s PRO 167 N 0.00 2.20 0.00 4.33 0.02 -1.26 -4.99 135.00 135.30 2wh4 s PRO 167 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.20 2wh4 s PRO 167 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2wh4 s PRO 167 CO 0.00 -1.68 0.00 0.39 -0.33 0.00 0.00 177.00 175.38 2wh4 n GLU 168 N -3.55 0.00 -1.69 5.54 1.02 -1.26 -4.92 120.64 115.78 2wh4 n GLU 168 Ca 0.09 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.79 2wh4 n GLU 168 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.91 2wh4 n GLU 168 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2wh4 n GLU 169 N -1.03 2.51 -1.84 3.49 4.07 -1.26 -4.49 120.64 122.09 2wh4 n GLU 169 Ca 0.00 0.91 -0.37 0.00 -0.06 0.00 0.00 57.16 57.64 2wh4 n GLU 169 Cb 0.00 -2.74 0.05 0.00 -0.06 0.00 0.00 31.44 28.69 2wh4 n GLU 169 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2wh4 s THR 170 N 1.82 2.24 0.00 6.31 -4.23 -1.26 -3.05 115.64 117.47 2wh4 s THR 170 Ca 0.80 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 2wh4 s THR 170 Cb -0.58 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2wh4 s THR 170 CO 0.38 -0.03 0.00 2.30 -0.54 0.00 0.00 174.62 176.72 2wh4 n ILE 171 N -1.74 0.00 0.00 2.99 -5.35 -1.19 -4.76 119.36 109.31 2wh4 n ILE 171 Ca 0.15 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2wh4 n ILE 171 Cb 0.48 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 2wh4 n ILE 171 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wh4 n ALA 172 N -0.59 0.00 -3.16 -1.28 0.00 -1.20 -4.14 120.51 110.14 2wh4 n ALA 172 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wh4 n ALA 172 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2wh4 n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 s ALA 173 N -1.11 0.04 0.03 0.00 0.00 -0.75 -3.26 121.76 116.71 2wh4 s ALA 173 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2wh4 s ALA 173 Cb 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.15 2wh4 s ALA 173 CO 0.00 -0.85 -0.24 0.08 0.00 0.00 0.00 175.76 174.76 2wh4 s VAL 174 N -3.48 1.89 0.07 0.00 1.01 -1.25 0.21 120.40 118.86 2wh4 s VAL 174 Ca 0.24 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2wh4 s VAL 174 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2wh4 s VAL 174 CO 0.13 0.35 0.11 0.68 0.00 0.00 0.00 175.10 176.37 2wh4 s VAL 175 N -0.74 0.17 1.38 2.92 -7.23 0.13 -4.50 120.40 112.53 2wh4 s VAL 175 Ca 0.10 -1.40 -0.20 0.00 -1.81 0.00 0.00 61.98 58.66 2wh4 s VAL 175 Cb -0.09 -1.39 0.36 0.00 0.56 0.00 0.00 36.38 35.81 2wh4 s VAL 175 CO 0.01 -0.78 0.94 -2.16 -0.31 0.00 0.00 175.10 172.80 2wh4 s PRO 176 N -3.85 -2.58 0.00 4.82 0.04 -1.26 -0.83 135.00 131.34 2wh4 s PRO 176 Ca 0.05 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2wh4 s PRO 176 Cb 0.06 -1.40 0.00 0.00 0.04 0.00 0.00 34.50 33.20 2wh4 s PRO 176 CO -0.10 -4.71 0.00 -0.35 0.04 0.00 0.00 177.00 171.87 2wh4 n PRO 177 N -5.56 0.04 -0.19 0.56 -0.04 -1.23 -4.55 135.00 124.02 2wh4 n PRO 177 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2wh4 n PRO 177 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 2wh4 n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh4 n GLU 178 N 0.00 0.34 0.00 0.54 -0.58 -1.26 -5.13 120.64 114.54 2wh4 n GLU 178 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wh4 n GLU 178 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wh4 n GLU 178 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18