#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LYS 2 N 0.00 0.00 -0.28 0.03 2.85 -1.26 -4.75 118.16 114.75 2wh4 n LYS 2 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wh4 n LYS 2 Cb 0.00 -0.31 -0.00 0.00 -0.65 0.00 0.00 35.03 34.06 2wh4 n LYS 2 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2wh4 n GLU 3 N 1.56 0.00 -2.08 -1.58 0.00 -1.26 -4.46 120.64 112.82 2wh4 n GLU 3 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 57.16 56.75 2wh4 n GLU 3 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 31.44 31.47 2wh4 n GLU 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2wh4 s VAL 4 N 0.00 3.41 0.04 3.84 -7.23 -1.26 -3.74 120.40 115.46 2wh4 s VAL 4 Ca 0.00 0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.22 2wh4 s VAL 4 Cb 0.00 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 32.92 2wh4 s VAL 4 CO 0.00 -0.99 0.05 0.00 -0.31 0.00 0.00 175.10 173.85 2wh4 n ALA 5 N 12.80 -0.07 -3.96 1.32 0.00 0.34 -4.87 120.51 126.06 2wh4 n ALA 5 Ca 0.25 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 2wh4 n ALA 5 Cb 0.51 -0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 2wh4 n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wh4 s VAL 6 N -1.12 1.42 0.82 0.00 1.01 -1.26 -3.03 120.40 118.24 2wh4 s VAL 6 Ca 0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 2wh4 s VAL 6 Cb -0.00 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 34.98 2wh4 s VAL 6 CO 0.02 0.21 1.17 -0.47 0.00 0.00 0.00 175.10 176.03 2wh4 s TYR 7 N 1.51 1.89 -0.33 5.22 5.04 -1.19 -1.62 117.35 127.88 2wh4 s TYR 7 Ca 0.01 1.69 -0.01 0.00 -2.44 0.00 0.00 57.07 56.32 2wh4 s TYR 7 Cb -0.15 -3.37 0.11 0.00 0.35 0.00 0.00 41.96 38.90 2wh4 s TYR 7 CO -0.08 -2.63 0.13 -1.14 -1.34 0.00 0.00 175.55 170.48 2wh4 s GLN 8 N -4.37 0.67 0.00 4.97 2.00 -1.22 -4.33 119.66 117.37 2wh4 s GLN 8 Ca 0.69 -1.11 0.00 0.00 -2.00 0.00 0.00 55.36 52.94 2wh4 s GLN 8 Cb -0.25 -1.82 0.00 0.00 0.80 0.00 0.00 33.01 31.74 2wh4 s GLN 8 CO 0.53 -1.03 0.00 -0.89 -0.50 0.00 0.00 175.29 173.39 2wh4 n ILE 9 N 4.69 0.00 0.00 -2.34 5.41 -1.22 -3.48 119.36 122.42 2wh4 n ILE 9 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wh4 n ILE 9 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 2wh4 n ILE 9 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2wh4 n PRO 10 N 0.00 0.00 0.00 0.38 -0.04 -1.10 -4.08 135.00 130.16 2wh4 n PRO 10 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wh4 n PRO 10 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wh4 n PRO 10 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wh4 n VAL 11 N 0.00 0.00 0.29 0.52 0.31 -1.26 -4.37 118.33 113.82 2wh4 n VAL 11 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2wh4 n VAL 11 Cb 0.00 0.00 0.79 0.00 -0.91 0.00 0.00 33.84 33.72 2wh4 n VAL 11 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wh4 h LEU 12 N 0.00 0.00 -9.35 7.52 3.38 -2.02 -3.44 115.31 111.40 2wh4 h LEU 12 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2wh4 h LEU 12 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 2wh4 h LEU 12 CO 0.00 0.00 0.80 -1.20 0.09 0.00 0.00 178.44 178.13 2wh4 n SER 13 N -3.08 2.75 -3.07 -0.43 7.64 -1.26 -4.97 113.62 111.20 2wh4 n SER 13 Ca -0.00 1.06 -0.16 0.00 1.01 0.00 0.00 58.87 60.79 2wh4 n SER 13 Cb 0.26 -1.32 0.14 0.00 -1.01 0.00 0.00 64.21 62.27 2wh4 n SER 13 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2wh4 n PRO 14 N 4.19 -2.45 -2.71 1.43 -0.02 -1.26 -2.70 135.00 131.48 2wh4 n PRO 14 Ca 0.20 -0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 60.38 2wh4 n PRO 14 Cb 0.25 -0.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.82 2wh4 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wh4 s SER 15 N -2.93 6.52 0.00 2.55 1.04 -1.26 -3.43 113.70 116.19 2wh4 s SER 15 Ca 0.36 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2wh4 s SER 15 Cb -0.04 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2wh4 s SER 15 CO 0.29 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2wh4 n GLY 16 N 6.24 -2.40 3.40 7.32 0.00 -1.26 -4.75 105.19 113.74 2wh4 n GLY 16 Ca 0.27 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2wh4 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 17 N 0.00 1.11 0.18 1.61 0.52 -1.26 -3.14 118.95 117.96 2wh4 s ARG 17 Ca 0.00 -0.34 -0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2wh4 s ARG 17 Cb 0.00 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.98 2wh4 s ARG 17 CO 0.00 -0.43 0.23 -2.13 0.02 0.00 0.00 175.30 172.99 2wh4 n ARG 18 N 0.12 0.33 -3.06 3.54 0.63 -1.17 -4.74 116.66 112.32 2wh4 n ARG 18 Ca -0.18 -1.46 0.00 0.00 -0.92 0.00 0.00 57.85 55.30 2wh4 n ARG 18 Cb 0.62 1.36 0.00 0.00 0.45 0.00 0.00 32.46 34.89 2wh4 n ARG 18 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2wh4 n GLU 19 N -0.30 -2.21 0.00 -0.14 0.00 -1.26 0.13 120.64 116.86 2wh4 n GLU 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2wh4 n GLU 19 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.74 2wh4 n GLU 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2wh4 n LEU 20 N 0.00 0.00 0.00 -1.84 7.94 -1.25 -4.96 117.00 116.90 2wh4 n LEU 20 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wh4 n LEU 20 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wh4 n LEU 20 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 2wh4 n ALA 21 N -1.53 0.00 0.00 1.96 0.00 -1.26 -4.96 120.51 114.72 2wh4 n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh4 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 22 N -3.00 0.99 -1.32 0.00 0.00 -1.26 -2.08 120.51 113.84 2wh4 n ALA 22 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2wh4 n ALA 22 Cb 0.00 -0.96 0.20 0.00 0.00 0.00 0.00 19.45 18.69 2wh4 n ALA 22 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh4 n ASP 23 N 0.52 3.19 0.00 0.00 5.75 -1.26 -4.37 116.55 120.37 2wh4 n ASP 23 Ca 0.00 -3.66 0.00 0.00 -0.01 0.00 0.00 54.79 51.12 2wh4 n ASP 23 Cb 0.00 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 2wh4 n ASP 23 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wh4 n LEU 24 N -1.06 0.00 -0.46 -2.12 7.99 -0.88 -2.95 117.00 117.52 2wh4 n LEU 24 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 2wh4 n LEU 24 Cb 1.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.64 2wh4 n LEU 24 CO 0.38 0.00 0.08 -2.65 -1.51 0.00 0.00 177.39 173.69 2wh4 n PRO 25 N 0.00 0.29 0.00 3.23 -0.02 -1.26 -4.18 135.00 133.06 2wh4 n PRO 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wh4 n PRO 25 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2wh4 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh4 n ALA 26 N 0.28 0.00 -3.08 3.55 0.00 -1.26 -4.40 120.51 115.59 2wh4 n ALA 26 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2wh4 n ALA 26 Cb 0.07 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2wh4 n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wh4 s GLU 27 N -2.05 0.24 -0.42 0.00 2.02 -1.26 -5.08 118.70 112.16 2wh4 s GLU 27 Ca 0.00 0.14 -0.23 0.00 0.02 0.00 0.00 54.97 54.90 2wh4 s GLU 27 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.33 2wh4 s GLU 27 CO 0.00 -0.42 0.78 0.42 0.02 0.00 0.00 175.26 176.07 2wh4 s ILE 28 N 2.70 4.68 -0.77 -1.63 -1.09 -1.26 -5.00 121.20 118.82 2wh4 s ILE 28 Ca 0.22 0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 59.12 2wh4 s ILE 28 Cb -0.02 -4.28 0.20 0.00 -1.58 0.00 0.00 42.46 36.78 2wh4 s ILE 28 CO -0.21 -0.62 0.68 0.21 -1.23 0.00 0.00 174.94 173.77 2wh4 s ASN 29 N 2.04 6.40 0.30 3.58 2.47 -1.26 -4.97 114.94 123.49 2wh4 s ASN 29 Ca 0.30 -2.69 -0.02 0.00 0.42 0.00 0.00 52.86 50.87 2wh4 s ASN 29 Cb -0.12 -2.13 0.65 0.00 -1.45 0.00 0.00 41.25 38.19 2wh4 s ASN 29 CO 0.21 -0.54 1.56 -0.65 -3.72 0.00 0.00 177.10 173.96 2wh4 h PRO 30 N 7.66 0.00 -0.96 0.43 0.11 -1.99 0.19 132.00 137.44 2wh4 h PRO 30 Ca 0.06 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.31 2wh4 h PRO 30 Cb 1.02 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.04 2wh4 h PRO 30 CO 0.75 0.00 0.58 1.25 -0.21 0.00 0.00 178.00 180.37 2wh4 h HIS 31 N 0.00 1.04 -0.44 0.65 -0.00 -1.99 0.31 115.15 114.72 2wh4 h HIS 31 Ca 0.56 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.86 2wh4 h HIS 31 Cb 1.05 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 2wh4 h HIS 31 CO -0.61 0.36 -0.14 1.25 -0.00 0.00 0.00 177.93 178.79 2wh4 h LEU 32 N 0.87 0.81 -0.36 0.26 5.85 -1.06 0.13 115.31 121.81 2wh4 h LEU 32 Ca 0.50 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2wh4 h LEU 32 Cb 0.58 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2wh4 h LEU 32 CO -0.30 0.96 0.22 -0.07 -0.34 0.00 0.00 178.44 178.91 2wh4 h LEU 33 N 0.73 0.43 0.23 2.25 -0.00 -0.72 -2.41 115.31 115.81 2wh4 h LEU 33 Ca 0.12 -0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2wh4 h LEU 33 Cb 0.64 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 2wh4 h LEU 33 CO 0.04 0.34 -0.30 -0.25 -0.00 0.00 0.00 178.44 178.28 2wh4 h TRP 34 N 0.48 -0.80 -1.06 1.13 7.01 0.07 -2.06 115.95 120.72 2wh4 h TRP 34 Ca 0.13 0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.42 2wh4 h TRP 34 Cb -0.01 0.32 -0.09 0.00 -2.10 0.00 0.00 29.16 27.28 2wh4 h TRP 34 CO -0.04 -0.42 0.69 0.93 -2.79 0.00 0.00 178.44 176.81 2wh4 h GLU 35 N -0.58 0.33 -0.04 2.65 5.08 -0.53 0.33 114.58 121.82 2wh4 h GLU 35 Ca 0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2wh4 h GLU 35 Cb 0.56 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wh4 h GLU 35 CO -0.10 0.22 -0.17 0.28 -1.00 0.00 0.00 179.01 178.24 2wh4 h VAL 36 N 0.33 1.48 -0.01 3.13 2.07 -1.02 -2.18 116.25 120.05 2wh4 h VAL 36 Ca 0.60 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2wh4 h VAL 36 Cb 1.63 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.86 2wh4 h VAL 36 CO -0.27 0.45 0.01 0.58 0.02 0.00 0.00 177.57 178.36 2wh4 h VAL 37 N -0.40 1.01 -1.00 2.57 2.07 -0.55 0.20 116.25 120.16 2wh4 h VAL 37 Ca -0.01 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 67.69 2wh4 h VAL 37 Cb 0.82 1.02 -0.12 0.00 -1.52 0.00 0.00 31.29 31.50 2wh4 h VAL 37 CO 0.03 0.01 0.59 -0.09 0.02 0.00 0.00 177.57 178.14 2wh4 h ARG 38 N -0.00 0.62 -0.01 1.57 2.43 -0.45 0.27 114.38 118.82 2wh4 h ARG 38 Ca 0.00 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2wh4 h ARG 38 Cb 0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2wh4 h ARG 38 CO -0.00 0.41 -0.78 2.35 -1.51 0.00 0.00 179.97 180.44 2wh4 h TRP 39 N 0.64 0.13 0.17 2.20 7.01 -0.64 -0.96 115.95 124.49 2wh4 h TRP 39 Ca 0.62 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.54 2wh4 h TRP 39 Cb 1.10 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.14 2wh4 h TRP 39 CO -0.01 0.83 -0.08 1.96 -2.79 0.00 0.00 178.44 178.35 2wh4 h GLN 40 N 0.05 -0.22 -0.01 2.65 4.20 0.25 -2.22 115.11 119.81 2wh4 h GLN 40 Ca -0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wh4 h GLN 40 Cb 1.37 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.20 2wh4 h GLN 40 CO 0.11 -0.15 0.29 -0.07 -0.67 0.00 0.00 178.83 178.34 2wh4 h LEU 41 N -0.43 0.00 0.38 1.46 3.38 -0.88 -2.19 115.31 117.03 2wh4 h LEU 41 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wh4 h LEU 41 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2wh4 h LEU 41 CO 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.39 2wh4 h ALA 42 N 1.43 -0.78 -0.75 1.53 0.00 -1.06 -3.34 119.26 116.28 2wh4 h ALA 42 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wh4 h ALA 42 Cb 0.59 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2wh4 h ALA 42 CO -0.00 -0.74 0.35 1.57 0.00 0.00 0.00 179.25 180.43 2wh4 h LYS 43 N -0.71 1.08 0.00 0.00 2.10 -0.80 -2.91 116.57 115.33 2wh4 h LYS 43 Ca -0.05 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2wh4 h LYS 43 Cb 0.39 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2wh4 h LYS 43 CO 0.09 0.84 0.00 2.89 -2.00 0.00 0.00 179.45 181.27 2wh4 n ARG 44 N -4.32 0.00 -2.14 0.07 1.85 -0.95 -4.61 116.66 106.57 2wh4 n ARG 44 Ca 0.07 0.44 -0.36 0.00 -1.00 0.00 0.00 57.85 57.00 2wh4 n ARG 44 Cb 0.14 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.07 2wh4 n ARG 44 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2wh4 s ARG 45 N -2.90 3.27 -0.21 2.89 3.52 -1.10 -5.04 118.95 119.37 2wh4 s ARG 45 Ca 0.00 1.76 -0.04 0.00 -0.13 0.00 0.00 55.73 57.32 2wh4 s ARG 45 Cb 0.01 -2.06 -0.02 0.00 -1.56 0.00 0.00 34.95 31.32 2wh4 s ARG 45 CO 0.01 -0.95 -0.02 1.03 -0.81 0.00 0.00 175.30 174.56 2wh4 s ARG 46 N -3.18 3.50 -1.12 5.12 0.52 -1.26 -4.84 118.95 117.69 2wh4 s ARG 46 Ca 0.73 -0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 55.26 2wh4 s ARG 46 Cb -0.28 -3.05 0.24 0.00 0.52 0.00 0.00 34.95 32.37 2wh4 s ARG 46 CO 0.32 -0.10 1.20 0.20 0.02 0.00 0.00 175.30 176.94 2wh4 s GLY 47 N 1.26 2.90 0.00 -3.53 0.00 -1.25 -4.68 107.32 102.02 2wh4 s GLY 47 Ca 0.03 -3.63 0.06 0.00 0.00 0.00 0.00 44.72 41.19 2wh4 s GLY 47 CO -0.00 1.58 1.05 -1.30 0.00 0.00 0.00 173.10 174.43 2wh4 n THR 48 N 3.48 0.78 -2.31 0.90 -2.24 -1.26 -3.25 114.28 110.38 2wh4 n THR 48 Ca 0.27 -0.89 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 2wh4 n THR 48 Cb 0.41 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2wh4 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh4 s ALA 49 N -0.90 2.79 0.01 6.98 0.00 -1.26 -4.83 121.76 124.55 2wh4 s ALA 49 Ca 0.12 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2wh4 s ALA 49 Cb 0.07 -4.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.09 2wh4 s ALA 49 CO 0.09 -2.90 -0.12 0.45 0.00 0.00 0.00 175.76 173.27 2wh4 s SER 50 N 4.87 1.41 0.41 0.00 0.15 -1.26 -2.60 113.70 116.69 2wh4 s SER 50 Ca 0.58 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.98 2wh4 s SER 50 Cb -0.13 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2wh4 s SER 50 CO 0.27 0.09 0.16 0.42 1.20 0.00 0.00 173.24 175.38 2wh4 s THR 51 N -0.49 0.44 -0.13 6.45 -4.23 -0.27 -4.95 115.64 112.46 2wh4 s THR 51 Ca 0.03 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2wh4 s THR 51 Cb -0.06 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 2wh4 s THR 51 CO 0.00 0.00 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.44 2wh4 s LYS 52 N -3.63 3.42 0.70 3.99 1.02 -1.26 -4.91 119.74 119.07 2wh4 s LYS 52 Ca 0.25 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 2wh4 s LYS 52 Cb 0.02 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2wh4 s LYS 52 CO 0.17 0.26 1.09 -0.08 -0.92 0.00 0.00 175.35 175.87 2wh4 s THR 53 N 0.25 3.45 -1.68 2.17 -1.32 -1.26 -0.50 115.64 116.76 2wh4 s THR 53 Ca -0.07 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2wh4 s THR 53 Cb -0.15 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.38 2wh4 s THR 53 CO 0.04 -0.60 0.56 -2.11 -2.21 0.00 0.00 174.62 170.30 2wh4 n ARG 54 N -3.00 0.00 -0.10 7.08 1.85 -1.26 -1.62 116.66 119.62 2wh4 n ARG 54 Ca 0.07 0.09 -0.20 0.00 -1.00 0.00 0.00 57.85 56.81 2wh4 n ARG 54 Cb 0.57 -1.51 -0.12 0.00 -1.05 0.00 0.00 32.46 30.36 2wh4 n ARG 54 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2wh4 h GLY 55 N 0.00 0.00 1.26 2.89 0.00 -1.88 -3.37 103.07 101.97 2wh4 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wh4 h GLY 55 CO 0.00 0.00 -0.09 1.18 0.00 0.00 0.00 176.54 177.63 2wh4 n GLU 56 N -4.46 0.47 -2.00 4.80 4.71 -0.64 -4.81 120.64 118.72 2wh4 n GLU 56 Ca -0.28 -0.11 -0.40 0.00 -0.01 0.00 0.00 57.16 56.35 2wh4 n GLU 56 Cb 0.64 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.57 2wh4 n GLU 56 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2wh4 s VAL 57 N -2.60 2.49 -1.32 2.62 0.11 -0.70 -4.89 120.40 116.11 2wh4 s VAL 57 Ca 0.26 0.47 -0.05 0.00 -2.93 0.00 0.00 61.98 59.72 2wh4 s VAL 57 Cb 0.20 -3.29 0.12 0.00 -1.53 0.00 0.00 36.38 31.89 2wh4 s VAL 57 CO 0.49 0.09 2.36 0.00 -3.33 0.00 0.00 175.10 174.72 2wh4 n ALA 58 N 0.40 6.76 -4.65 1.54 0.00 -1.26 -4.94 120.51 118.36 2wh4 n ALA 58 Ca 0.02 -4.10 -0.33 0.00 0.00 0.00 0.00 53.44 49.03 2wh4 n ALA 58 Cb 0.42 -2.77 -0.06 0.00 0.00 0.00 0.00 19.45 17.04 2wh4 n ALA 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wh4 n TYR 59 N 1.76 0.95 -1.96 0.00 4.02 -1.26 -5.14 117.16 115.52 2wh4 n TYR 59 Ca 0.62 -2.55 -0.28 0.00 -0.01 0.00 0.00 57.90 55.67 2wh4 n TYR 59 Cb 0.25 -0.36 0.19 0.00 -0.02 0.00 0.00 39.34 39.40 2wh4 n TYR 59 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2wh4 n SER 60 N -1.39 0.19 -0.14 7.72 2.88 -1.26 -5.01 113.62 116.62 2wh4 n SER 60 Ca -0.19 -1.52 0.07 0.00 -1.33 0.00 0.00 58.87 55.90 2wh4 n SER 60 Cb 0.66 -0.97 -0.05 0.00 -0.75 0.00 0.00 64.21 63.11 2wh4 n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wh4 n GLY 61 N -3.44 -0.19 3.52 0.46 0.00 -1.26 -4.66 105.19 99.62 2wh4 n GLY 61 Ca 0.16 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2wh4 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 62 N -0.84 0.91 -2.79 1.61 1.74 -1.26 -4.53 116.66 111.51 2wh4 n ARG 62 Ca 0.04 0.32 -0.43 0.00 -0.77 0.00 0.00 57.85 57.02 2wh4 n ARG 62 Cb 0.25 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 2wh4 n ARG 62 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wh4 s LYS 63 N -1.64 3.25 0.38 5.56 2.20 -1.26 -3.54 119.74 124.69 2wh4 s LYS 63 Ca 0.62 -0.41 0.24 0.00 -0.36 0.00 0.00 55.97 56.06 2wh4 s LYS 63 Cb -0.64 -4.12 1.37 0.00 -1.51 0.00 0.00 37.83 32.92 2wh4 s LYS 63 CO 0.58 -1.70 1.55 1.51 -0.36 0.00 0.00 175.35 176.93 2wh4 n ILE 64 N 6.17 -0.37 -3.49 5.43 3.06 -0.38 -4.66 119.36 125.12 2wh4 n ILE 64 Ca 0.01 1.94 0.00 0.00 -2.50 0.00 0.00 62.75 62.20 2wh4 n ILE 64 Cb 0.47 -3.16 0.00 0.00 0.54 0.00 0.00 39.64 37.49 2wh4 n ILE 64 CO 0.00 0.00 0.00 0.79 -2.50 0.00 0.00 176.55 174.84 2wh4 n TRP 65 N -5.09 0.00 1.19 9.51 8.01 -1.26 -5.06 117.44 124.74 2wh4 n TRP 65 Ca 0.38 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.70 2wh4 n TRP 65 Cb 1.34 0.00 0.26 0.00 -2.01 0.00 0.00 31.31 30.90 2wh4 n TRP 65 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 2wh4 n PRO 66 N 0.00 2.08 -0.89 -0.99 -0.02 -1.26 -4.93 135.00 128.99 2wh4 n PRO 66 Ca 0.00 -1.57 0.00 0.00 -2.02 0.00 0.00 63.50 59.91 2wh4 n PRO 66 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2wh4 n PRO 66 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wh4 n GLN 67 N 0.91 -0.02 -3.64 -0.52 -0.06 -1.26 -4.95 117.38 107.84 2wh4 n GLN 67 Ca 0.16 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 55.09 2wh4 n GLN 67 Cb 0.51 -2.96 -0.07 0.00 -4.06 0.00 0.00 30.24 23.66 2wh4 n GLN 67 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2wh4 s LYS 68 N -0.23 0.50 -0.67 3.69 2.20 -1.26 -4.90 119.74 119.06 2wh4 s LYS 68 Ca 0.00 0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 56.28 2wh4 s LYS 68 Cb 0.00 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2wh4 s LYS 68 CO 0.00 -0.07 0.57 0.72 -0.36 0.00 0.00 175.35 176.20 2wh4 n HIS 69 N 2.78 -1.29 0.00 4.03 8.25 -1.26 -4.93 115.22 122.80 2wh4 n HIS 69 Ca -0.15 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 2wh4 n HIS 69 Cb 0.56 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 27.96 2wh4 n HIS 69 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wh4 n THR 70 N -2.74 0.00 0.00 1.59 -2.24 -1.26 -5.00 114.28 104.62 2wh4 n THR 70 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2wh4 n THR 70 Cb 0.59 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2wh4 n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wh4 n GLY 71 N 1.70 1.63 3.86 3.38 0.00 -1.26 -5.03 105.19 109.47 2wh4 n GLY 71 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wh4 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 72 N -0.72 3.88 0.56 1.61 0.52 -1.26 -5.04 118.95 118.50 2wh4 s ARG 72 Ca 0.00 0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 55.76 2wh4 s ARG 72 Cb 0.00 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 2wh4 s ARG 72 CO 0.00 -0.16 1.09 0.00 0.02 0.00 0.00 175.30 176.25 2wh4 s ALA 73 N -2.50 2.71 0.22 2.13 0.00 -1.26 -4.94 121.76 118.13 2wh4 s ALA 73 Ca 0.55 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 2wh4 s ALA 73 Cb -0.10 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2wh4 s ALA 73 CO 0.31 -0.75 1.36 -0.98 0.00 0.00 0.00 175.76 175.70 2wh4 s ARG 74 N -3.55 4.34 0.04 0.00 1.70 -1.26 -4.96 118.95 115.26 2wh4 s ARG 74 Ca 0.69 2.16 -0.04 0.00 -0.47 0.00 0.00 55.73 58.07 2wh4 s ARG 74 Cb -0.20 -3.16 -0.02 0.00 -0.57 0.00 0.00 34.95 31.01 2wh4 s ARG 74 CO 0.29 -0.32 0.05 -1.01 -1.08 0.00 0.00 175.30 173.24 2wh4 s HIS 75 N 0.02 0.30 0.00 5.89 3.76 -1.26 -5.10 115.29 118.90 2wh4 s HIS 75 Ca 0.57 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 2wh4 s HIS 75 Cb -0.39 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.09 2wh4 s HIS 75 CO 0.41 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.34 2wh4 n GLY 76 N 0.58 0.54 3.97 -2.22 0.00 -1.26 -4.46 105.19 102.35 2wh4 n GLY 76 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2wh4 n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wh4 s ASP 77 N -0.69 5.59 0.00 1.61 -4.77 -1.23 -1.25 116.67 115.93 2wh4 s ASP 77 Ca 0.00 0.01 0.27 0.00 -3.30 0.00 0.00 52.55 49.53 2wh4 s ASP 77 Cb 0.00 -1.10 1.44 0.00 -1.09 0.00 0.00 42.92 42.17 2wh4 s ASP 77 CO 0.00 -0.87 1.94 2.30 0.70 0.00 0.00 175.17 179.25 2wh4 n ILE 78 N -2.11 0.02 1.56 2.11 -5.35 -1.26 -3.03 119.36 111.30 2wh4 n ILE 78 Ca 0.05 -0.08 0.15 0.00 -0.27 0.00 0.00 62.75 62.59 2wh4 n ILE 78 Cb 0.59 -0.16 0.71 0.00 -1.74 0.00 0.00 39.64 39.03 2wh4 n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh4 n GLY 79 N 1.00 -0.93 3.77 3.28 0.00 -1.26 -3.49 105.19 107.55 2wh4 n GLY 79 Ca 0.20 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2wh4 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 s ALA 80 N -2.34 3.24 -1.07 4.61 0.00 -1.17 -1.65 121.76 123.38 2wh4 s ALA 80 Ca 0.34 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.64 2wh4 s ALA 80 Cb 0.21 -3.51 0.23 0.00 0.00 0.00 0.00 23.12 20.05 2wh4 s ALA 80 CO 0.43 -0.92 1.14 -0.35 0.00 0.00 0.00 175.76 176.07 2wh4 n PRO 81 N 0.01 0.01 -1.08 0.00 -0.04 -1.26 -1.90 135.00 130.74 2wh4 n PRO 81 Ca 0.04 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.74 2wh4 n PRO 81 Cb 0.43 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.62 2wh4 n PRO 81 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wh4 n ILE 82 N -1.47 3.00 -0.17 0.52 -5.35 -1.26 -4.56 119.36 110.07 2wh4 n ILE 82 Ca 0.01 -1.93 0.01 0.00 -0.27 0.00 0.00 62.75 60.58 2wh4 n ILE 82 Cb 0.06 -0.40 0.02 0.00 -1.74 0.00 0.00 39.64 37.57 2wh4 n ILE 82 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2wh4 n PHE 83 N -0.77 0.00 0.00 4.28 0.99 -0.80 -5.05 117.46 116.11 2wh4 n PHE 83 Ca 0.49 -0.57 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 2wh4 n PHE 83 Cb 1.47 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 39.89 2wh4 n PHE 83 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2wh4 n VAL 84 N -0.63 0.00 0.24 -4.37 0.31 -1.26 -3.57 118.33 109.04 2wh4 n VAL 84 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.51 2wh4 n VAL 84 Cb 0.31 0.00 0.81 0.00 -0.91 0.00 0.00 33.84 34.05 2wh4 n VAL 84 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wh4 h GLY 85 N 0.00 0.00 -1.16 2.92 0.00 -1.91 -3.43 103.07 99.49 2wh4 h GLY 85 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2wh4 h GLY 85 CO 0.00 0.00 -0.47 0.61 0.00 0.00 0.00 176.54 176.68 2wh4 n GLY 86 N -1.22 -2.78 3.82 4.60 0.00 -1.23 -4.95 105.19 103.44 2wh4 n GLY 86 Ca -0.02 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 2wh4 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wh4 s GLY 87 N -2.22 1.67 0.41 -0.02 0.00 -0.66 -4.89 107.32 101.60 2wh4 s GLY 87 Ca 0.52 0.07 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 2wh4 s GLY 87 CO 0.51 0.38 0.86 0.54 0.00 0.00 0.00 173.10 175.39 2wh4 s VAL 88 N -3.05 4.57 0.00 1.40 0.11 0.34 -4.15 120.40 119.62 2wh4 s VAL 88 Ca 0.58 1.13 0.00 0.00 -2.93 0.00 0.00 61.98 60.75 2wh4 s VAL 88 Cb -0.14 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2wh4 s VAL 88 CO 0.55 -0.38 0.00 0.52 -3.33 0.00 0.00 175.10 172.46 2wh4 n VAL 89 N -0.83 0.00 -0.86 2.04 0.31 -1.26 -4.16 118.33 113.56 2wh4 n VAL 89 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.21 2wh4 n VAL 89 Cb 0.54 -0.02 0.04 0.00 -0.91 0.00 0.00 33.84 33.49 2wh4 n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wh4 n PHE 90 N 0.00 1.65 -1.50 3.52 3.72 -1.26 -4.91 117.46 118.68 2wh4 n PHE 90 Ca 0.00 -1.98 -0.36 0.00 -0.05 0.00 0.00 57.45 55.06 2wh4 n PHE 90 Cb 0.00 -0.96 0.09 0.00 -0.94 0.00 0.00 39.48 37.67 2wh4 n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wh4 n GLY 91 N 0.22 0.19 3.69 1.37 0.00 -1.26 -4.93 105.19 104.46 2wh4 n GLY 91 Ca 0.32 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2wh4 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wh4 n PRO 92 N -2.21 1.58 -4.27 1.61 -0.04 -1.26 -4.79 135.00 125.61 2wh4 n PRO 92 Ca 0.15 0.57 -0.18 0.00 -0.04 0.00 0.00 63.50 64.01 2wh4 n PRO 92 Cb 0.49 -2.38 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 2wh4 n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wh4 s LYS 93 N -2.55 1.12 0.15 0.54 -0.14 -1.07 -1.12 119.74 116.68 2wh4 s LYS 93 Ca 0.68 -1.37 -0.34 0.00 -1.36 0.00 0.00 55.97 53.58 2wh4 s LYS 93 Cb -0.46 -0.93 -0.14 0.00 -1.68 0.00 0.00 37.83 34.61 2wh4 s LYS 93 CO 0.52 0.16 1.51 -0.35 -0.76 0.00 0.00 175.35 176.44 2wh4 n PRO 94 N 0.16 1.93 -3.85 -1.68 -0.04 -1.11 -4.70 135.00 125.71 2wh4 n PRO 94 Ca -0.13 0.70 -0.09 0.00 -0.04 0.00 0.00 63.50 63.94 2wh4 n PRO 94 Cb 0.58 -2.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.55 2wh4 n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wh4 s ARG 95 N 0.69 1.01 -0.15 0.54 1.70 -1.20 -5.03 118.95 116.52 2wh4 s ARG 95 Ca 0.79 -0.99 -0.07 0.00 -0.47 0.00 0.00 55.73 55.00 2wh4 s ARG 95 Cb -0.73 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 33.99 2wh4 s ARG 95 CO 0.41 -0.36 0.09 0.34 -1.08 0.00 0.00 175.30 174.70 2wh4 s ASP 96 N -2.89 5.90 0.00 -2.89 2.15 -1.26 -3.87 116.67 113.81 2wh4 s ASP 96 Ca 0.09 0.25 0.16 0.00 0.43 0.00 0.00 52.55 53.48 2wh4 s ASP 96 Cb 0.04 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 2wh4 s ASP 96 CO -0.07 0.29 0.83 -1.22 -0.17 0.00 0.00 175.17 174.83 2wh4 n TYR 97 N 2.74 0.00 -2.06 -5.34 4.01 -1.26 -5.00 117.16 110.25 2wh4 n TYR 97 Ca -0.18 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.23 2wh4 n TYR 97 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.58 2wh4 n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2wh4 s SER 98 N -2.05 5.69 0.21 7.72 1.04 -1.26 -4.34 113.70 120.71 2wh4 s SER 98 Ca 0.12 1.91 -0.13 0.00 0.48 0.00 0.00 55.95 58.33 2wh4 s SER 98 Cb 0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2wh4 s SER 98 CO 0.46 -1.23 0.42 -0.72 0.98 0.00 0.00 173.24 173.16 2wh4 s TYR 99 N -2.30 0.28 -0.82 5.02 1.13 -1.26 -4.98 117.35 114.42 2wh4 s TYR 99 Ca 0.66 -0.63 -0.15 0.00 -1.41 0.00 0.00 57.07 55.54 2wh4 s TYR 99 Cb -0.18 0.15 0.20 0.00 -1.10 0.00 0.00 41.96 41.03 2wh4 s TYR 99 CO 0.35 -0.89 0.79 0.99 -2.51 0.00 0.00 175.55 174.28 2wh4 s THR 100 N -3.97 5.50 0.29 -3.49 2.01 -1.26 -4.98 115.64 109.73 2wh4 s THR 100 Ca 0.18 -2.31 -0.29 0.00 0.31 0.00 0.00 61.69 59.58 2wh4 s THR 100 Cb 0.01 -4.49 -0.10 0.00 0.01 0.00 0.00 72.50 67.92 2wh4 s THR 100 CO 0.04 -1.07 1.39 -0.22 -0.69 0.00 0.00 174.62 174.07 2wh4 s LEU 101 N 0.52 4.40 0.39 4.42 2.96 -1.26 -4.89 118.68 125.21 2wh4 s LEU 101 Ca 0.18 2.69 -0.24 0.00 -0.22 0.00 0.00 54.13 56.54 2wh4 s LEU 101 Cb -0.11 -3.64 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 2wh4 s LEU 101 CO -0.08 -0.65 0.81 -2.65 -1.32 0.00 0.00 176.35 172.47 2wh4 n PRO 102 N 1.65 0.99 0.19 0.98 -0.02 -1.26 -4.80 135.00 132.72 2wh4 n PRO 102 Ca 0.04 0.35 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2wh4 n PRO 102 Cb 0.41 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.05 2wh4 n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wh4 h LYS 103 N 1.31 -0.41 -0.87 -0.52 1.57 -1.99 -1.76 116.57 113.89 2wh4 h LYS 103 Ca -0.41 0.03 0.20 0.00 -1.87 0.00 0.00 60.65 58.59 2wh4 h LYS 103 Cb 1.37 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.71 2wh4 h LYS 103 CO 0.55 -0.23 0.58 0.87 -0.57 0.00 0.00 179.45 180.65 2wh4 h LYS 104 N -0.48 0.37 -0.19 3.15 1.57 -1.99 0.27 116.57 119.26 2wh4 h LYS 104 Ca -0.04 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2wh4 h LYS 104 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2wh4 h LYS 104 CO 0.07 0.25 -0.04 0.28 -0.57 0.00 0.00 179.45 179.43 2wh4 h VAL 105 N 0.38 1.29 -0.57 0.50 2.07 -1.83 0.16 116.25 118.24 2wh4 h VAL 105 Ca 0.45 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 67.04 2wh4 h VAL 105 Cb 1.14 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2wh4 h VAL 105 CO -0.16 0.30 0.38 0.03 0.02 0.00 0.00 177.57 178.15 2wh4 h ARG 106 N 0.08 0.41 0.00 1.57 3.08 0.36 0.12 114.38 120.00 2wh4 h ARG 106 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wh4 h ARG 106 Cb 0.48 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2wh4 h ARG 106 CO 0.02 0.27 -0.02 0.87 -1.07 0.00 0.00 179.97 180.04 2wh4 h LYS 107 N 0.42 0.00 0.00 0.04 1.57 -0.86 -2.80 116.57 114.94 2wh4 h LYS 107 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2wh4 h LYS 107 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wh4 h LYS 107 CO -0.07 0.13 0.28 0.87 -0.57 0.00 0.00 179.45 180.09 2wh4 h LYS 108 N -1.00 0.00 -0.03 3.15 1.57 -0.62 0.53 116.57 120.18 2wh4 h LYS 108 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2wh4 h LYS 108 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.47 2wh4 h LYS 108 CO -0.00 0.00 -0.50 0.78 -0.57 0.00 0.00 179.45 179.16 2wh4 h GLY 109 N 0.00 0.42 0.85 3.86 0.00 -0.79 -2.34 103.07 105.08 2wh4 h GLY 109 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 2wh4 h GLY 109 CO 0.00 0.61 -0.41 -2.00 0.00 0.00 0.00 176.54 174.75 2wh4 h LEU 110 N -0.14 -0.96 -0.93 3.11 6.46 0.30 0.21 115.31 123.36 2wh4 h LEU 110 Ca -0.05 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 57.92 2wh4 h LEU 110 Cb 1.19 0.25 -0.18 0.00 -0.73 0.00 0.00 40.66 41.20 2wh4 h LEU 110 CO 0.10 -0.68 -0.25 0.00 -0.62 0.00 0.00 178.44 176.99 2wh4 h ALA 111 N -1.45 0.57 -0.90 1.25 0.00 -1.37 0.98 119.26 118.34 2wh4 h ALA 111 Ca -0.12 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wh4 h ALA 111 Cb 0.87 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 2wh4 h ALA 111 CO 0.19 -0.41 0.50 0.52 0.00 0.00 0.00 179.25 180.05 2wh4 h MET 112 N -0.00 1.25 0.53 0.00 2.86 -1.11 0.14 114.93 118.59 2wh4 h MET 112 Ca 0.44 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2wh4 h MET 112 Cb 0.67 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2wh4 h MET 112 CO -0.96 0.91 -0.35 0.00 1.06 0.00 0.00 176.91 177.57 2wh4 h ALA 113 N 1.29 -1.14 -0.94 6.32 0.00 0.42 -2.19 119.26 123.03 2wh4 h ALA 113 Ca 0.32 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.20 2wh4 h ALA 113 Cb 0.01 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2wh4 h ALA 113 CO -0.05 -1.12 0.60 0.28 0.00 0.00 0.00 179.25 178.95 2wh4 h VAL 114 N -0.83 0.85 0.20 0.00 2.07 -1.06 -2.48 116.25 115.01 2wh4 h VAL 114 Ca -0.07 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2wh4 h VAL 114 Cb 0.67 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2wh4 h VAL 114 CO 0.05 0.15 -0.27 0.00 0.02 0.00 0.00 177.57 177.52 2wh4 h ALA 115 N 1.58 -0.90 -0.61 1.67 0.00 -0.50 -0.66 119.26 119.84 2wh4 h ALA 115 Ca 0.48 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.48 2wh4 h ALA 115 Cb 0.66 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2wh4 h ALA 115 CO -0.24 -0.94 0.65 0.22 0.00 0.00 0.00 179.25 178.94 2wh4 h ASP 116 N -0.48 0.00 0.01 0.00 3.58 -0.95 1.30 116.42 119.88 2wh4 h ASP 116 Ca -0.02 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 2wh4 h ASP 116 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2wh4 h ASP 116 CO -0.07 0.00 -0.19 -0.09 -2.88 0.00 0.00 179.24 176.00 2wh4 h ARG 117 N 0.00 0.12 -0.20 0.28 9.65 -1.01 -3.04 114.38 120.17 2wh4 h ARG 117 Ca 0.29 -0.14 -0.12 0.00 -1.10 0.00 0.00 59.98 58.92 2wh4 h ARG 117 Cb 1.59 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.20 2wh4 h ARG 117 CO -0.00 0.92 -0.38 0.00 2.80 0.00 0.00 179.97 183.32 2wh4 h ALA 118 N 0.20 0.98 -0.87 2.80 0.00 0.11 -2.09 119.26 120.38 2wh4 h ALA 118 Ca -0.03 -0.41 0.15 0.00 0.00 0.00 0.00 54.91 54.62 2wh4 h ALA 118 Cb 1.00 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2wh4 h ALA 118 CO 0.04 0.61 0.46 -0.09 0.00 0.00 0.00 179.25 180.27 2wh4 h ARG 119 N 0.37 0.62 -0.01 0.00 2.43 0.14 0.22 114.38 118.16 2wh4 h ARG 119 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wh4 h ARG 119 Cb 0.83 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wh4 h ARG 119 CO 0.07 0.41 -0.29 0.39 -1.51 0.00 0.00 179.97 179.04 2wh4 n GLU 120 N -4.86 0.60 0.00 0.20 1.02 -1.01 -4.92 120.64 111.67 2wh4 n GLU 120 Ca 0.18 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2wh4 n GLU 120 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2wh4 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wh4 n GLY 121 N 1.37 2.88 0.00 0.62 0.00 0.77 -4.89 105.19 105.94 2wh4 n GLY 121 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wh4 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh4 n LYS 122 N -0.20 0.00 -3.12 1.61 4.76 -0.87 -4.61 118.16 115.73 2wh4 n LYS 122 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2wh4 n LYS 122 Cb 0.00 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 2wh4 n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2wh4 s LEU 123 N -1.21 4.36 -0.25 -0.35 2.96 -1.21 -1.64 118.68 121.33 2wh4 s LEU 123 Ca 0.00 1.40 -0.03 0.00 -0.22 0.00 0.00 54.13 55.28 2wh4 s LEU 123 Cb 0.00 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.30 2wh4 s LEU 123 CO 0.00 0.05 0.45 -0.22 -1.32 0.00 0.00 176.35 175.31 2wh4 s LEU 124 N -1.92 -0.84 0.32 -0.68 2.96 -0.12 -4.55 118.68 113.85 2wh4 s LEU 124 Ca 0.42 0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 54.70 2wh4 s LEU 124 Cb -0.17 1.44 -0.09 0.00 0.50 0.00 0.00 46.19 47.88 2wh4 s LEU 124 CO 0.21 -0.28 0.73 -0.76 -1.32 0.00 0.00 176.35 174.92 2wh4 s LEU 125 N 2.64 4.06 0.30 -0.68 2.01 -0.64 -0.03 118.68 126.34 2wh4 s LEU 125 Ca 0.13 1.25 0.04 0.00 0.01 0.00 0.00 54.13 55.56 2wh4 s LEU 125 Cb -0.15 -4.05 -0.03 0.00 0.01 0.00 0.00 46.19 41.97 2wh4 s LEU 125 CO -0.17 -0.21 0.27 0.68 1.01 0.00 0.00 176.35 177.94 2wh4 s VAL 126 N -1.99 0.00 0.30 -1.59 -7.23 -0.36 -3.45 120.40 106.08 2wh4 s VAL 126 Ca 0.54 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2wh4 s VAL 126 Cb -0.10 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2wh4 s VAL 126 CO 0.18 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.18 2wh4 n GLU 127 N -0.53 0.00 -0.91 4.82 4.07 -1.23 -2.37 120.64 124.49 2wh4 n GLU 127 Ca 0.05 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.71 2wh4 n GLU 127 Cb 0.63 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.93 2wh4 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wh4 n ALA 128 N -3.24 2.41 -1.47 4.31 0.00 -1.23 -4.78 120.51 116.51 2wh4 n ALA 128 Ca 0.00 -3.09 -0.42 0.00 0.00 0.00 0.00 53.44 49.93 2wh4 n ALA 128 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 19.45 15.75 2wh4 n ALA 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wh4 n PHE 129 N 8.04 2.80 0.00 0.00 3.72 -1.26 -4.78 117.46 125.98 2wh4 n PHE 129 Ca 0.49 -2.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.40 2wh4 n PHE 129 Cb 0.41 -2.20 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 2wh4 n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wh4 n ALA 130 N 6.56 0.00 -1.49 4.37 0.00 -1.26 -3.77 120.51 124.92 2wh4 n ALA 130 Ca 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 2wh4 n ALA 130 Cb 0.39 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 2wh4 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 131 N -0.87 -0.29 0.00 0.00 0.00 -1.26 -4.86 105.19 97.91 2wh4 n GLY 131 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wh4 n GLY 131 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wh4 n VAL 132 N 7.89 0.00 0.00 1.61 3.14 -1.25 -4.44 118.33 125.28 2wh4 n VAL 132 Ca 0.44 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 2wh4 n VAL 132 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 2wh4 n VAL 132 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2wh4 n ASN 133 N 0.00 0.00 -3.93 6.55 4.13 -1.26 -4.31 115.26 116.44 2wh4 n ASN 133 Ca 0.00 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 2wh4 n ASN 133 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 2wh4 n ASN 133 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wh4 n GLY 134 N 0.00 0.10 2.86 7.41 0.00 -1.24 -4.73 105.19 109.59 2wh4 n GLY 134 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2wh4 n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh4 s LYS 135 N 6.42 1.08 0.01 1.61 2.47 -1.26 -4.49 119.74 125.59 2wh4 s LYS 135 Ca 0.51 -1.49 -0.02 0.00 -1.56 0.00 0.00 55.97 53.41 2wh4 s LYS 135 Cb 0.05 -2.54 -0.01 0.00 -1.46 0.00 0.00 37.83 33.87 2wh4 s LYS 135 CO 0.20 -0.98 0.23 -2.37 0.16 0.00 0.00 175.35 172.59 2wh4 n THR 136 N 4.50 -0.05 -0.16 3.43 5.66 -1.26 0.17 114.28 126.58 2wh4 n THR 136 Ca 0.01 0.35 0.29 0.00 -3.05 0.00 0.00 64.05 61.65 2wh4 n THR 136 Cb 0.41 -0.45 0.67 0.00 -1.55 0.00 0.00 70.33 69.42 2wh4 n THR 136 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2wh4 h LYS 137 N 0.00 0.00 0.51 1.09 1.57 -1.96 -0.53 116.57 117.24 2wh4 h LYS 137 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2wh4 h LYS 137 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 2wh4 h LYS 137 CO -0.07 0.00 -0.25 0.93 -0.57 0.00 0.00 179.45 179.49 2wh4 h GLU 138 N 0.00 -0.66 -0.70 3.15 5.08 0.14 -2.20 114.58 119.39 2wh4 h GLU 138 Ca 0.42 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.96 2wh4 h GLU 138 Cb 2.07 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 31.38 2wh4 h GLU 138 CO -0.00 -0.42 0.24 0.35 -1.00 0.00 0.00 179.01 178.17 2wh4 h PHE 139 N -1.17 0.40 -0.30 4.33 3.57 -1.18 0.17 116.94 122.77 2wh4 h PHE 139 Ca -0.07 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.55 2wh4 h PHE 139 Cb 0.55 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2wh4 h PHE 139 CO 0.00 0.03 0.23 1.25 -2.23 0.00 0.00 178.31 177.59 2wh4 h LEU 140 N 0.37 0.00 0.00 0.59 5.85 -1.16 0.82 115.31 121.79 2wh4 h LEU 140 Ca 0.38 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 2wh4 h LEU 140 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 2wh4 h LEU 140 CO -0.41 0.00 -0.11 0.00 -0.34 0.00 0.00 178.44 177.58 2wh4 h ALA 141 N 1.81 0.02 -0.51 1.25 0.00 -0.04 -3.13 119.26 118.66 2wh4 h ALA 141 Ca 0.14 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.89 2wh4 h ALA 141 Cb 0.61 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2wh4 h ALA 141 CO -0.00 0.08 0.36 2.35 0.00 0.00 0.00 179.25 182.04 2wh4 h TRP 142 N -1.00 0.02 0.74 0.00 7.01 -0.86 -1.33 115.95 120.54 2wh4 h TRP 142 Ca -0.02 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 2wh4 h TRP 142 Cb 0.51 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2wh4 h TRP 142 CO 0.10 0.01 -0.35 0.00 -2.79 0.00 0.00 178.44 175.41 2wh4 h ALA 143 N 1.75 -1.13 -0.74 2.65 0.00 0.57 -3.02 119.26 119.34 2wh4 h ALA 143 Ca 0.24 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.10 2wh4 h ALA 143 Cb 0.94 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 2wh4 h ALA 143 CO -0.01 -1.06 0.05 -0.22 0.00 0.00 0.00 179.25 178.02 2wh4 h LYS 144 N -1.11 0.14 -0.03 0.00 3.64 -1.20 0.54 116.57 118.55 2wh4 h LYS 144 Ca -0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2wh4 h LYS 144 Cb 0.76 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2wh4 h LYS 144 CO 0.17 0.09 0.00 0.39 -2.27 0.00 0.00 179.45 177.83 2wh4 n GLU 145 N -5.29 0.10 -0.37 1.90 -0.58 -0.59 -1.50 120.64 114.31 2wh4 n GLU 145 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2wh4 n GLU 145 Cb 0.47 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2wh4 n GLU 145 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh4 n ALA 146 N -0.22 1.73 0.00 0.62 0.00 0.19 -5.00 120.51 117.82 2wh4 n ALA 146 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2wh4 n ALA 146 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2wh4 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 147 N 0.00 2.91 3.56 0.00 0.00 -0.56 -4.95 105.19 106.16 2wh4 n GLY 147 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wh4 n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh4 s LEU 148 N 0.00 3.43 0.00 0.99 1.43 -1.04 -4.67 118.68 118.81 2wh4 s LEU 148 Ca 0.00 -1.42 0.20 0.00 -1.03 0.00 0.00 54.13 51.88 2wh4 s LEU 148 Cb 0.00 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.68 2wh4 s LEU 148 CO 0.00 -1.92 1.02 -0.90 0.23 0.00 0.00 176.35 174.78 2wh4 n ASP 149 N 10.63 2.06 0.00 2.29 5.75 -1.26 -2.93 116.55 133.09 2wh4 n ASP 149 Ca 0.38 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 2wh4 n ASP 149 Cb 0.49 0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 2wh4 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wh4 n GLY 150 N 1.26 0.76 0.09 6.12 0.00 -1.26 -4.95 105.19 107.21 2wh4 n GLY 150 Ca 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 2wh4 n GLY 150 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2wh4 h SER 151 N 0.00 0.00 -3.98 1.61 0.87 -1.93 -3.45 113.55 106.67 2wh4 h SER 151 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 2wh4 h SER 151 Cb 0.01 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 61.66 2wh4 h SER 151 CO 0.00 0.83 -0.82 -1.61 -0.53 0.00 0.00 176.83 174.71 2wh4 s GLU 152 N -2.77 1.35 0.61 2.24 2.02 -1.26 -5.13 118.70 115.76 2wh4 s GLU 152 Ca -0.00 -0.49 -0.19 0.00 0.02 0.00 0.00 54.97 54.30 2wh4 s GLU 152 Cb 0.09 -1.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.06 2wh4 s GLU 152 CO 0.80 0.23 1.32 -1.54 0.02 0.00 0.00 175.26 176.09 2wh4 s SER 153 N -0.04 4.87 -0.03 -0.19 1.04 -1.26 -4.80 113.70 113.29 2wh4 s SER 153 Ca -0.00 2.67 0.02 0.00 0.48 0.00 0.00 55.95 59.11 2wh4 s SER 153 Cb -0.09 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2wh4 s SER 153 CO 0.01 -1.83 -0.06 -0.69 0.98 0.00 0.00 173.24 171.64 2wh4 s VAL 154 N -1.37 0.61 -0.35 5.02 1.01 0.65 -0.91 120.40 125.06 2wh4 s VAL 154 Ca 0.78 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 2wh4 s VAL 154 Cb -0.38 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2wh4 s VAL 154 CO 0.42 0.22 0.48 -0.22 0.00 0.00 0.00 175.10 176.01 2wh4 s LEU 155 N 0.54 4.39 -0.46 3.92 2.96 -0.11 -0.58 118.68 129.34 2wh4 s LEU 155 Ca -0.08 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.56 2wh4 s LEU 155 Cb -0.11 -2.53 0.05 0.00 0.50 0.00 0.00 46.19 44.10 2wh4 s LEU 155 CO 0.00 -0.46 0.44 -0.22 -1.32 0.00 0.00 176.35 174.80 2wh4 s LEU 156 N 2.31 5.24 -0.43 -0.68 2.96 0.05 -2.10 118.68 126.03 2wh4 s LEU 156 Ca 0.17 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 2wh4 s LEU 156 Cb -0.16 -2.28 0.07 0.00 0.50 0.00 0.00 46.19 44.31 2wh4 s LEU 156 CO 0.13 -0.66 0.29 -0.69 -1.32 0.00 0.00 176.35 174.10 2wh4 s VAL 157 N 1.98 4.63 0.02 1.68 1.01 -0.01 -1.61 120.40 128.10 2wh4 s VAL 157 Ca 0.08 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2wh4 s VAL 157 Cb -0.21 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2wh4 s VAL 157 CO 0.10 -0.47 0.08 0.28 0.00 0.00 0.00 175.10 175.08 2wh4 s THR 158 N 1.52 0.10 -0.60 3.92 -1.32 -1.07 -1.28 115.64 116.91 2wh4 s THR 158 Ca 0.03 -0.86 0.25 0.00 -1.21 0.00 0.00 61.69 59.89 2wh4 s THR 158 Cb -0.23 -0.51 0.21 0.00 -1.51 0.00 0.00 72.50 70.46 2wh4 s THR 158 CO 0.05 -0.48 1.55 1.23 -2.21 0.00 0.00 174.62 174.76 2wh4 h GLY 159 N 4.21 0.00 -7.18 6.08 0.00 -1.94 -3.37 103.07 100.87 2wh4 h GLY 159 Ca -0.32 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.48 2wh4 h GLY 159 CO 0.43 0.00 1.15 0.21 0.00 0.00 0.00 176.54 178.34 2wh4 s ASN 160 N -4.87 5.96 0.00 0.19 3.04 -1.26 -4.85 114.94 113.15 2wh4 s ASN 160 Ca 0.08 0.27 0.01 0.00 0.04 0.00 0.00 52.86 53.26 2wh4 s ASN 160 Cb 0.11 -2.54 0.08 0.00 -1.54 0.00 0.00 41.25 37.35 2wh4 s ASN 160 CO 0.66 -1.85 0.58 -0.62 -3.04 0.00 0.00 177.10 172.83 2wh4 n GLU 161 N 8.82 0.04 -0.11 0.43 1.02 -1.26 -1.49 120.64 128.09 2wh4 n GLU 161 Ca 0.13 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 57.11 2wh4 n GLU 161 Cb 0.50 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 2wh4 n GLU 161 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wh4 n LEU 162 N -1.01 2.83 0.00 -4.62 4.32 -1.26 -2.37 117.00 114.90 2wh4 n LEU 162 Ca 0.01 -0.07 -0.03 0.00 -0.02 0.00 0.00 56.01 55.90 2wh4 n LEU 162 Cb 0.00 -0.77 0.23 0.00 -1.62 0.00 0.00 43.42 41.26 2wh4 n LEU 162 CO 0.01 0.83 0.81 0.58 -1.22 0.00 0.00 177.39 178.40 2wh4 h VAL 163 N -0.10 1.24 0.00 4.08 2.07 -1.64 -0.99 116.25 120.92 2wh4 h VAL 163 Ca -0.51 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2wh4 h VAL 163 Cb 1.74 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2wh4 h VAL 163 CO -0.11 0.36 0.00 -1.14 0.02 0.00 0.00 177.57 176.70 2wh4 n ARG 164 N -4.18 0.00 -0.19 1.57 3.00 -0.56 -2.15 116.66 114.15 2wh4 n ARG 164 Ca 0.00 0.36 0.18 0.00 -0.00 0.00 0.00 57.85 58.39 2wh4 n ARG 164 Cb 0.35 -1.34 0.33 0.00 0.00 0.00 0.00 32.46 31.79 2wh4 n ARG 164 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2wh4 n ARG 165 N -1.58 -0.04 0.00 -0.14 0.63 -1.00 -0.89 116.66 113.66 2wh4 n ARG 165 Ca 0.00 0.82 -0.06 0.00 -0.92 0.00 0.00 57.85 57.69 2wh4 n ARG 165 Cb 0.00 -1.45 -0.04 0.00 0.45 0.00 0.00 32.46 31.42 2wh4 n ARG 165 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh4 h ALA 166 N 1.18 -0.13 0.00 5.13 0.00 -1.10 -3.36 119.26 120.97 2wh4 h ALA 166 Ca 0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2wh4 h ALA 166 Cb 1.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2wh4 h ALA 166 CO -0.46 -0.14 -0.20 0.00 0.00 0.00 0.00 179.25 178.45 2wh4 h ALA 167 N -0.74 1.09 -0.76 0.00 0.00 -0.81 -3.36 119.26 114.68 2wh4 h ALA 167 Ca -0.01 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2wh4 h ALA 167 Cb 0.33 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2wh4 h ALA 167 CO 0.02 0.24 -0.45 -2.13 0.00 0.00 0.00 179.25 176.94 2wh4 n ARG 168 N -3.46 -0.33 0.00 0.00 0.63 -0.06 0.17 116.66 113.60 2wh4 n ARG 168 Ca -0.00 1.17 0.03 0.00 -0.92 0.00 0.00 57.85 58.13 2wh4 n ARG 168 Cb 0.37 -1.73 0.15 0.00 0.45 0.00 0.00 32.46 31.70 2wh4 n ARG 168 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wh4 n ASN 169 N -4.90 0.00 -4.72 6.15 4.05 -1.26 -4.74 115.26 109.84 2wh4 n ASN 169 Ca 0.02 -0.84 -0.41 0.00 0.45 0.00 0.00 54.58 53.79 2wh4 n ASN 169 Cb 0.20 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.17 2wh4 n ASN 169 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2wh4 s LEU 170 N -1.32 4.38 0.07 1.20 2.96 0.13 -4.96 118.68 121.14 2wh4 s LEU 170 Ca 0.08 1.58 -0.32 0.00 -0.22 0.00 0.00 54.13 55.25 2wh4 s LEU 170 Cb 0.03 -3.46 -0.18 0.00 0.50 0.00 0.00 46.19 43.08 2wh4 s LEU 170 CO 0.06 -0.19 1.64 -0.65 -1.32 0.00 0.00 176.35 175.89 2wh4 h PRO 171 N 6.54 -0.78 -0.46 0.98 0.11 -1.86 -2.62 132.00 133.90 2wh4 h PRO 171 Ca -0.41 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2wh4 h PRO 171 Cb 1.21 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2wh4 h PRO 171 CO 0.74 -0.52 0.00 -2.67 -0.21 0.00 0.00 178.00 175.34 2wh4 n TRP 172 N -5.44 0.00 -4.12 0.65 4.27 -1.26 -4.71 117.44 106.83 2wh4 n TRP 172 Ca -0.13 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.33 2wh4 n TRP 172 Cb 0.33 -0.05 -0.13 0.00 -1.36 0.00 0.00 31.31 30.10 2wh4 n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2wh4 s VAL 173 N -1.07 0.43 -0.27 -1.67 1.01 -0.99 -0.25 120.40 117.58 2wh4 s VAL 173 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2wh4 s VAL 173 Cb 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 36.05 2wh4 s VAL 173 CO 0.00 -0.04 0.02 -0.69 0.00 0.00 0.00 175.10 174.39 2wh4 s VAL 174 N -0.51 1.36 0.57 2.92 1.01 0.25 -4.70 120.40 121.29 2wh4 s VAL 174 Ca -0.02 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 2wh4 s VAL 174 Cb -0.04 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2wh4 s VAL 174 CO -0.00 -0.38 1.04 0.28 0.00 0.00 0.00 175.10 176.04 2wh4 s THR 175 N 1.42 3.96 -0.29 3.92 -1.32 -1.26 -0.77 115.64 121.29 2wh4 s THR 175 Ca 0.03 0.95 -0.16 0.00 -1.21 0.00 0.00 61.69 61.30 2wh4 s THR 175 Cb -0.18 -3.46 0.14 0.00 -1.51 0.00 0.00 72.50 67.49 2wh4 s THR 175 CO -0.13 -0.52 0.94 -0.22 -2.21 0.00 0.00 174.62 172.48 2wh4 s LEU 176 N -4.33 -0.56 0.64 9.08 2.96 -0.64 -4.87 118.68 120.96 2wh4 s LEU 176 Ca 0.63 0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 55.27 2wh4 s LEU 176 Cb -0.15 1.82 -0.01 0.00 0.50 0.00 0.00 46.19 48.35 2wh4 s LEU 176 CO 0.34 -0.14 1.14 0.00 -1.32 0.00 0.00 176.35 176.38 2wh4 s ALA 177 N 1.40 2.46 0.14 5.97 0.00 -1.26 -2.61 121.76 127.86 2wh4 s ALA 177 Ca -0.09 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 2wh4 s ALA 177 Cb -0.04 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2wh4 s ALA 177 CO -0.16 -1.26 1.60 -1.00 0.00 0.00 0.00 175.76 174.94 2wh4 h PRO 178 N 0.33 -0.36 -1.78 0.00 0.13 -1.90 -2.38 132.00 126.05 2wh4 h PRO 178 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wh4 h PRO 178 Cb 1.27 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2wh4 h PRO 178 CO 0.54 -0.24 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 2wh4 n GLU 179 N -5.42 0.76 -0.16 0.86 4.71 -1.26 -2.04 120.64 118.10 2wh4 n GLU 179 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2wh4 n GLU 179 Cb 0.34 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.65 2wh4 n GLU 179 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wh4 n GLY 180 N 1.33 -1.33 3.68 0.62 0.00 -0.89 -5.08 105.19 103.53 2wh4 n GLY 180 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh4 n GLY 180 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wh4 s LEU 181 N 0.00 4.35 0.08 0.99 2.96 -0.86 -4.90 118.68 121.29 2wh4 s LEU 181 Ca 0.00 2.37 0.01 0.00 -0.22 0.00 0.00 54.13 56.29 2wh4 s LEU 181 Cb 0.00 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2wh4 s LEU 181 CO 0.00 -0.86 -0.06 0.54 -1.32 0.00 0.00 176.35 174.65 2wh4 s ASN 182 N 2.50 0.96 0.19 3.68 2.20 -1.26 -5.08 114.94 118.12 2wh4 s ASN 182 Ca 0.72 -0.91 -0.03 0.00 -0.94 0.00 0.00 52.86 51.70 2wh4 s ASN 182 Cb -0.37 0.10 0.12 0.00 -2.00 0.00 0.00 41.25 39.11 2wh4 s ASN 182 CO 0.31 -0.44 1.52 -0.37 -2.94 0.00 0.00 177.10 175.19 2wh4 h VAL 183 N 3.32 1.31 -1.00 3.54 -1.51 -1.94 -2.11 116.25 117.86 2wh4 h VAL 183 Ca -0.35 -1.72 0.07 0.00 -1.23 0.00 0.00 66.70 63.48 2wh4 h VAL 183 Cb 1.17 1.68 -0.07 0.00 -2.13 0.00 0.00 31.29 31.94 2wh4 h VAL 183 CO 0.60 0.54 0.64 0.22 -1.23 0.00 0.00 177.57 178.34 2wh4 h TYR 184 N 0.47 1.19 0.23 5.19 3.20 -1.95 -0.73 116.97 124.57 2wh4 h TYR 184 Ca 0.02 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.59 2wh4 h TYR 184 Cb 1.03 -0.39 0.03 0.00 1.54 0.00 0.00 36.73 38.95 2wh4 h TYR 184 CO 0.04 0.60 -1.44 -0.44 -1.64 0.00 0.00 178.16 175.28 2wh4 h ASP 185 N 1.15 0.79 -0.86 -2.11 3.32 -1.96 0.40 116.42 117.15 2wh4 h ASP 185 Ca 0.44 -0.84 0.14 0.00 0.02 0.00 0.00 57.03 56.78 2wh4 h ASP 185 Cb 0.20 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 39.40 2wh4 h ASP 185 CO -0.18 1.66 0.46 0.40 -1.72 0.00 0.00 179.24 179.85 2wh4 h ILE 186 N 0.14 0.76 0.15 0.35 1.08 -0.92 -2.32 117.51 116.76 2wh4 h ILE 186 Ca -0.24 -0.23 -0.32 0.00 -0.39 0.00 0.00 64.86 63.69 2wh4 h ILE 186 Cb 2.14 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2wh4 h ILE 186 CO 0.27 0.12 -1.55 0.58 -0.69 0.00 0.00 178.15 176.88 2wh4 h VAL 187 N 0.67 1.15 -0.39 1.67 2.07 -1.16 -3.30 116.25 116.95 2wh4 h VAL 187 Ca 0.46 -2.75 0.11 0.00 0.82 0.00 0.00 66.70 65.34 2wh4 h VAL 187 Cb 0.61 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 2wh4 h VAL 187 CO -0.34 0.83 0.37 -0.09 0.02 0.00 0.00 177.57 178.36 2wh4 h ARG 188 N 0.09 0.00 -6.42 1.57 2.43 0.34 -3.41 114.38 108.97 2wh4 h ARG 188 Ca -0.26 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.22 2wh4 h ARG 188 Cb 2.05 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 31.35 2wh4 h ARG 188 CO 0.18 0.00 -0.80 0.95 -1.51 0.00 0.00 179.97 178.79 2wh4 s THR 189 N -4.73 2.81 0.32 0.20 -4.23 -0.96 -5.05 115.64 103.99 2wh4 s THR 189 Ca -0.05 -0.87 0.36 0.00 -1.18 0.00 0.00 61.69 59.96 2wh4 s THR 189 Cb 0.17 -2.09 0.39 0.00 1.34 0.00 0.00 72.50 72.31 2wh4 s THR 189 CO 0.60 0.56 2.11 -0.33 -0.54 0.00 0.00 174.62 177.02 2wh4 h GLU 190 N 5.27 0.00 -3.37 3.99 5.08 -1.78 -3.44 114.58 120.32 2wh4 h GLU 190 Ca -0.46 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.66 2wh4 h GLU 190 Cb 1.15 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.09 2wh4 h GLU 190 CO 0.49 0.02 -0.63 0.50 -1.00 0.00 0.00 179.01 178.40 2wh4 s ARG 191 N -3.88 0.07 -0.18 2.33 3.52 -0.09 -4.91 118.95 115.81 2wh4 s ARG 191 Ca -0.01 0.27 -0.07 0.00 -0.13 0.00 0.00 55.73 55.79 2wh4 s ARG 191 Cb 0.11 -0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2wh4 s ARG 191 CO 0.51 -0.13 0.04 -1.17 -0.81 0.00 0.00 175.30 173.75 2wh4 s LEU 192 N 0.86 3.66 -0.07 -0.88 0.20 -0.65 -0.93 118.68 120.86 2wh4 s LEU 192 Ca -0.07 0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.75 2wh4 s LEU 192 Cb -0.09 -1.92 0.03 0.00 -0.43 0.00 0.00 46.19 43.77 2wh4 s LEU 192 CO -0.04 0.15 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.45 2wh4 s VAL 193 N 0.52 0.55 -0.02 1.68 1.01 -0.89 -0.94 120.40 122.30 2wh4 s VAL 193 Ca 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2wh4 s VAL 193 Cb -0.13 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2wh4 s VAL 193 CO 0.01 0.27 0.14 0.00 0.00 0.00 0.00 175.10 175.53 2wh4 s MET 194 N 1.58 0.35 0.49 2.72 0.23 0.95 -0.83 119.30 124.79 2wh4 s MET 194 Ca -0.00 -0.14 -0.21 0.00 -1.03 0.00 0.00 55.69 54.31 2wh4 s MET 194 Cb -0.13 0.15 -0.09 0.00 -1.53 0.00 0.00 34.83 33.23 2wh4 s MET 194 CO -0.04 -0.07 0.85 -3.47 -2.03 0.00 0.00 175.02 170.26 2wh4 n ASP 195 N 2.12 0.46 -0.02 -1.18 -0.08 -0.41 -1.22 116.55 116.22 2wh4 n ASP 195 Ca -0.18 0.91 -0.09 0.00 -1.51 0.00 0.00 54.79 53.91 2wh4 n ASP 195 Cb 0.57 -1.30 0.06 0.00 2.34 0.00 0.00 41.12 42.79 2wh4 n ASP 195 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2wh4 h LEU 196 N 0.95 0.68 -2.41 -2.67 3.38 -1.82 -0.33 115.31 113.10 2wh4 h LEU 196 Ca -0.45 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2wh4 h LEU 196 Cb 1.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2wh4 h LEU 196 CO 0.53 1.04 0.00 -2.24 0.09 0.00 0.00 178.44 177.86 2wh4 h ASP 197 N 0.51 0.00 0.00 -0.43 2.03 -1.91 -1.66 116.42 114.96 2wh4 h ASP 197 Ca 0.03 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.22 2wh4 h ASP 197 Cb 1.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.49 2wh4 h ASP 197 CO 0.09 0.00 -0.69 0.00 -1.03 0.00 0.00 179.24 177.62 2wh4 h ALA 198 N 2.01 0.12 0.00 4.15 0.00 -1.73 -3.18 119.26 120.64 2wh4 h ALA 198 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2wh4 h ALA 198 Cb 0.13 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wh4 h ALA 198 CO 0.00 0.44 0.10 1.87 0.00 0.00 0.00 179.25 181.65 2wh4 n TRP 199 N -4.55 0.00 0.00 0.00 -0.00 -0.20 0.56 117.44 113.25 2wh4 n TRP 199 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 2wh4 n TRP 199 Cb 0.47 -0.30 0.00 0.00 -0.00 0.00 0.00 31.31 31.47 2wh4 n TRP 199 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2wh4 n GLU 200 N -1.28 0.00 -0.26 5.87 4.07 -0.67 -3.15 120.64 125.22 2wh4 n GLU 200 Ca 0.00 0.38 0.33 0.00 -0.06 0.00 0.00 57.16 57.81 2wh4 n GLU 200 Cb 0.10 -0.88 0.72 0.00 -0.06 0.00 0.00 31.44 31.32 2wh4 n GLU 200 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2wh4 h VAL 201 N 0.00 0.33 -0.56 6.31 3.04 -1.00 0.64 116.25 125.01 2wh4 h VAL 201 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2wh4 h VAL 201 Cb 0.00 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 29.64 2wh4 h VAL 201 CO 0.00 0.00 0.09 0.15 -1.01 0.00 0.00 177.57 176.80 2wh4 h PHE 202 N 0.00 0.98 0.75 3.17 3.57 0.00 -1.34 116.94 124.08 2wh4 h PHE 202 Ca 0.52 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 2wh4 h PHE 202 Cb 2.23 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 40.71 2wh4 h PHE 202 CO 0.00 0.87 -0.36 1.96 -2.23 0.00 0.00 178.31 178.54 2wh4 h GLN 203 N 0.81 -0.98 -0.24 1.11 1.08 0.33 -2.69 115.11 114.54 2wh4 h GLN 203 Ca 0.17 0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.51 2wh4 h GLN 203 Cb 0.41 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2wh4 h GLN 203 CO 0.01 -0.65 0.54 -0.91 -0.95 0.00 0.00 178.83 176.87 2wh4 h ASN 204 N -1.11 0.00 1.40 1.46 2.35 -1.44 0.64 115.58 118.87 2wh4 h ASN 204 Ca -0.10 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 2wh4 h ASN 204 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2wh4 h ASN 204 CO 0.17 0.00 -0.40 -0.09 -1.65 0.00 0.00 177.43 175.46 2wh4 h ARG 205 N 0.00 0.00 0.00 0.81 2.43 -0.91 -3.28 114.38 113.44 2wh4 h ARG 205 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2wh4 h ARG 205 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2wh4 h ARG 205 CO -0.00 0.40 -0.23 0.44 -1.51 0.00 0.00 179.97 179.06 2wh4 n ILE 206 N -3.26 1.48 -2.57 1.20 -5.35 0.20 -4.93 119.36 106.13 2wh4 n ILE 206 Ca 0.02 -1.94 -0.43 0.00 -0.27 0.00 0.00 62.75 60.13 2wh4 n ILE 206 Cb 0.65 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 2wh4 n ILE 206 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh4 n GLY 207 N -1.01 4.50 0.00 3.28 0.00 0.09 -5.05 105.19 107.00 2wh4 n GLY 207 Ca 0.13 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2wh4 n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93