#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh0 n LYS 3 N 0.00 -0.03 -0.01 -0.67 3.00 -1.26 0.12 118.16 119.31 2wh0 n LYS 3 Ca 0.00 0.31 -0.13 0.00 -0.00 0.00 0.00 58.31 58.50 2wh0 n LYS 3 Cb 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 35.03 34.48 2wh0 n LYS 3 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2wh0 h ASN 4 N 0.00 0.05 0.88 3.14 -0.26 -2.03 -2.30 115.58 115.07 2wh0 h ASN 4 Ca 0.09 -0.34 -0.12 0.00 -0.56 0.00 0.00 56.30 55.38 2wh0 h ASN 4 Cb 0.14 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 2wh0 h ASN 4 CO -0.20 0.38 -0.55 1.05 -1.06 0.00 0.00 177.43 177.04 2wh0 h GLU 5 N -0.27 0.00 -0.21 0.81 4.11 0.45 -2.44 114.58 117.03 2wh0 h GLU 5 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.29 2wh0 h GLU 5 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2wh0 h GLU 5 CO 0.00 0.55 -0.45 -0.07 0.07 0.00 0.00 179.01 179.12 2wh0 h LEU 6 N 0.00 0.75 -0.53 3.06 3.38 -0.63 -1.92 115.31 119.42 2wh0 h LEU 6 Ca -0.01 -0.56 -0.13 0.00 0.09 0.00 0.00 57.88 57.28 2wh0 h LEU 6 Cb 1.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2wh0 h LEU 6 CO 0.07 1.17 -0.22 0.58 0.09 0.00 0.00 178.44 180.14 2wh0 h VAL 7 N 0.37 1.27 -0.37 1.22 2.07 -1.41 -1.95 116.25 117.44 2wh0 h VAL 7 Ca 0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2wh0 h VAL 7 Cb 1.06 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2wh0 h VAL 7 CO 0.10 0.47 0.25 1.56 0.02 0.00 0.00 177.57 179.97 2wh0 h GLN 8 N 0.83 0.49 0.00 1.57 1.08 -1.47 -1.82 115.11 115.79 2wh0 h GLN 8 Ca 0.11 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2wh0 h GLN 8 Cb 0.79 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2wh0 h GLN 8 CO 0.07 0.32 -0.02 0.87 -0.95 0.00 0.00 178.83 179.11 2wh0 h LYS 9 N 0.50 0.00 0.05 1.46 6.56 -1.11 -0.55 116.57 123.47 2wh0 h LYS 9 Ca 0.14 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.46 2wh0 h LYS 9 Cb -0.05 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.62 2wh0 h LYS 9 CO -0.03 0.02 -1.10 0.00 -2.06 0.00 0.00 179.45 176.29 2wh0 h ALA 10 N 1.98 0.15 -0.37 3.86 0.00 -0.85 -0.95 119.26 123.08 2wh0 h ALA 10 Ca -0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 2wh0 h ALA 10 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wh0 h ALA 10 CO 0.00 0.74 -0.29 0.87 0.00 0.00 0.00 179.25 180.57 2wh0 h LYS 11 N 0.30 0.78 0.36 0.00 1.57 -0.66 0.11 116.57 119.01 2wh0 h LYS 11 Ca -0.14 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2wh0 h LYS 11 Cb 1.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.02 2wh0 h LYS 11 CO 0.20 0.98 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.55 2wh0 h LEU 12 N 0.67 -1.23 -0.82 2.94 3.38 -1.13 -2.50 115.31 116.62 2wh0 h LEU 12 Ca 0.08 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wh0 h LEU 12 Cb 0.83 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2wh0 h LEU 12 CO 0.07 -0.55 0.00 0.00 0.09 0.00 0.00 178.44 178.05 2wh0 n ALA 13 N -2.76 1.29 0.07 1.53 0.00 -0.36 -1.32 120.51 118.95 2wh0 n ALA 13 Ca -0.10 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2wh0 n ALA 13 Cb 0.39 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 2wh0 n ALA 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wh0 h GLU 14 N 0.00 0.58 -0.12 0.00 4.81 -0.55 -0.12 114.58 119.18 2wh0 h GLU 14 Ca 0.00 -0.74 -0.17 0.00 -0.13 0.00 0.00 59.36 58.32 2wh0 h GLU 14 Cb 0.14 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2wh0 h GLU 14 CO 0.00 1.32 -0.64 1.96 -0.73 0.00 0.00 179.01 180.93 2wh0 h GLN 15 N 0.19 0.45 0.00 1.92 4.20 -0.76 -2.51 115.11 118.60 2wh0 h GLN 15 Ca -0.16 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2wh0 h GLN 15 Cb 1.76 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.60 2wh0 h GLN 15 CO 0.21 0.94 0.00 0.00 -0.67 0.00 0.00 178.83 179.31 2wh0 n ALA 16 N -2.51 2.45 -3.36 3.87 0.00 -0.49 -4.88 120.51 115.60 2wh0 n ALA 16 Ca -0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 2wh0 n ALA 16 Cb 0.65 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.72 2wh0 n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wh0 n GLU 17 N -0.97 -4.29 -3.53 0.00 1.02 -0.95 -4.91 120.64 107.00 2wh0 n GLU 17 Ca 0.18 0.63 -0.40 0.00 -0.02 0.00 0.00 57.16 57.55 2wh0 n GLU 17 Cb 0.08 -5.43 -0.05 0.00 -0.02 0.00 0.00 31.44 26.03 2wh0 n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wh0 s ARG 18 N -6.03 3.35 0.23 3.49 0.52 -0.07 -4.94 118.95 115.50 2wh0 s ARG 18 Ca 0.42 -2.91 0.25 0.00 -0.52 0.00 0.00 55.73 52.97 2wh0 s ARG 18 Cb -0.21 -4.12 0.61 0.00 0.52 0.00 0.00 34.95 31.76 2wh0 s ARG 18 CO 0.52 -1.24 1.63 1.88 0.02 0.00 0.00 175.30 178.11 2wh0 h TYR 19 N 6.77 0.00 -0.05 -0.53 0.05 -1.92 -0.89 116.97 120.41 2wh0 h TYR 19 Ca 0.11 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.72 2wh0 h TYR 19 Cb 0.91 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.66 2wh0 h TYR 19 CO 0.80 0.00 -0.64 -0.44 -1.05 0.00 0.00 178.16 176.83 2wh0 h ASP 20 N 0.00 0.65 -0.27 3.88 3.32 -1.92 -1.00 116.42 121.09 2wh0 h ASP 20 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 57.03 56.37 2wh0 h ASP 20 Cb 0.79 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2wh0 h ASP 20 CO 0.00 1.26 0.10 0.44 -1.72 0.00 0.00 179.24 179.32 2wh0 h ASP 21 N 0.10 0.13 -0.59 6.45 3.32 -1.88 -1.38 116.42 122.57 2wh0 h ASP 21 Ca -0.07 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.02 2wh0 h ASP 21 Cb 1.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 2wh0 h ASP 21 CO 0.13 0.11 0.39 -0.03 -1.72 0.00 0.00 179.24 178.12 2wh0 h MET 22 N 0.23 0.75 0.00 3.56 4.05 -1.08 -1.94 114.93 120.50 2wh0 h MET 22 Ca 0.12 -0.05 -0.19 0.00 -0.28 0.00 0.00 59.70 59.30 2wh0 h MET 22 Cb 0.07 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 2wh0 h MET 22 CO -0.11 0.50 -0.92 0.00 0.23 0.00 0.00 176.91 176.61 2wh0 h ALA 23 N 1.64 0.45 0.00 0.39 0.00 -0.90 -3.13 119.26 117.72 2wh0 h ALA 23 Ca 0.22 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2wh0 h ALA 23 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wh0 h ALA 23 CO -0.05 1.15 -0.32 0.00 0.00 0.00 0.00 179.25 180.03 2wh0 h ALA 24 N 1.08 1.16 -0.06 0.00 0.00 -0.50 -1.37 119.26 119.57 2wh0 h ALA 24 Ca -0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2wh0 h ALA 24 Cb 1.66 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.41 2wh0 h ALA 24 CO 0.12 0.40 -0.75 0.00 0.00 0.00 0.00 179.25 179.02 2wh0 h MET 26 N 0.24 0.00 0.38 0.00 2.86 -1.49 -2.33 114.93 114.58 2wh0 h MET 26 Ca -0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2wh0 h MET 26 Cb 1.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.07 2wh0 h MET 26 CO 0.15 0.55 -0.23 -0.22 1.06 0.00 0.00 176.91 178.22 2wh0 h LYS 27 N 0.00 -0.56 -0.40 1.72 3.64 -1.33 0.50 116.57 120.13 2wh0 h LYS 27 Ca -0.01 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2wh0 h LYS 27 Cb 1.34 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.23 2wh0 h LYS 27 CO 0.07 -0.37 0.10 0.77 -2.27 0.00 0.00 179.45 177.75 2wh0 h SER 28 N -0.58 0.04 -0.90 4.20 0.02 -1.56 0.40 113.55 115.18 2wh0 h SER 28 Ca -0.04 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2wh0 h SER 28 Cb 0.47 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 2wh0 h SER 28 CO 0.05 0.06 0.56 0.58 -1.14 0.00 0.00 176.83 176.93 2wh0 h VAL 29 N 0.23 1.02 -0.20 2.27 2.07 -1.28 -2.43 116.25 117.94 2wh0 h VAL 29 Ca 0.19 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2wh0 h VAL 29 Cb 0.22 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2wh0 h VAL 29 CO -0.24 0.18 -0.05 0.74 0.02 0.00 0.00 177.57 178.22 2wh0 h THR 30 N 0.99 1.29 0.00 2.57 2.02 0.35 -3.13 112.91 116.99 2wh0 h THR 30 Ca 0.40 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2wh0 h THR 30 Cb 0.24 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2wh0 h THR 30 CO -0.20 0.31 0.00 -0.62 0.37 0.00 0.00 175.52 175.39 2wh0 n GLU 31 N -4.62 0.26 0.19 6.66 1.02 0.13 -1.75 120.64 122.52 2wh0 n GLU 31 Ca -0.05 0.09 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 2wh0 n GLU 31 Cb 0.28 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.42 2wh0 n GLU 31 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2wh0 h GLN 32 N 0.00 0.00 0.00 3.49 4.20 -1.39 -3.48 115.11 117.93 2wh0 h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wh0 h GLN 32 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2wh0 h GLN 32 CO 0.00 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 178.88 2wh0 n GLY 33 N 0.80 2.79 3.84 3.46 0.00 -0.72 -5.08 105.19 110.29 2wh0 n GLY 33 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2wh0 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh0 s ALA 34 N -2.55 3.23 0.13 4.61 0.00 -1.26 -4.98 121.76 120.94 2wh0 s ALA 34 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 2wh0 s ALA 34 Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 2wh0 s ALA 34 CO 0.00 0.25 1.54 -2.00 0.00 0.00 0.00 175.76 175.55 2wh0 s GLU 35 N -3.08 4.24 0.31 0.00 2.12 -1.26 -4.87 118.70 116.15 2wh0 s GLU 35 Ca 0.57 2.27 -0.29 0.00 0.36 0.00 0.00 54.97 57.88 2wh0 s GLU 35 Cb -0.10 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 30.91 2wh0 s GLU 35 CO 0.17 -0.59 1.28 -0.51 -0.54 0.00 0.00 175.26 175.07 2wh0 s LEU 36 N 1.48 4.44 0.76 2.70 1.43 -1.26 -5.01 118.68 123.22 2wh0 s LEU 36 Ca 0.69 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 56.29 2wh0 s LEU 36 Cb -0.41 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.22 2wh0 s LEU 36 CO 0.31 -0.48 1.10 -0.94 0.23 0.00 0.00 176.35 176.56 2wh0 s SER 37 N -0.45 4.53 0.57 2.29 1.04 -1.26 -4.70 113.70 115.72 2wh0 s SER 37 Ca 0.49 1.88 0.32 0.00 0.48 0.00 0.00 55.95 59.13 2wh0 s SER 37 Cb -0.39 -2.53 1.44 0.00 0.10 0.00 0.00 66.02 64.64 2wh0 s SER 37 CO 0.50 -2.02 1.77 0.78 0.98 0.00 0.00 173.24 175.26 2wh0 h ASN 38 N -0.94 0.00 0.36 7.02 -0.26 -1.99 0.14 115.58 119.92 2wh0 h ASN 38 Ca -0.44 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 54.98 2wh0 h ASN 38 Cb 1.24 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.52 2wh0 h ASN 38 CO 0.51 0.00 -1.43 -0.08 -1.06 0.00 0.00 177.43 175.37 2wh0 h GLU 39 N 0.00 0.46 -0.24 0.81 4.81 -2.00 -2.89 114.58 115.53 2wh0 h GLU 39 Ca 0.42 -0.79 -0.18 0.00 -0.13 0.00 0.00 59.36 58.68 2wh0 h GLU 39 Cb 1.94 0.29 -0.00 0.00 0.63 0.00 0.00 28.75 31.61 2wh0 h GLU 39 CO -0.00 1.37 -0.58 0.93 -0.73 0.00 0.00 179.01 180.00 2wh0 h GLU 40 N 0.13 0.77 -0.39 1.92 5.08 -1.18 -2.67 114.58 118.23 2wh0 h GLU 40 Ca -0.23 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 57.65 2wh0 h GLU 40 Cb 2.12 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.41 2wh0 h GLU 40 CO 0.25 1.13 0.26 -0.09 -1.00 0.00 0.00 179.01 179.56 2wh0 h ARG 41 N 0.58 0.45 0.48 2.33 2.43 -0.99 -1.93 114.38 117.73 2wh0 h ARG 41 Ca 0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2wh0 h ARG 41 Cb 1.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2wh0 h ARG 41 CO 0.12 0.30 -0.23 -0.97 -1.51 0.00 0.00 179.97 177.68 2wh0 h ASN 42 N 0.46 -0.54 -0.73 -3.80 -0.73 -1.35 -2.21 115.58 106.69 2wh0 h ASN 42 Ca 0.15 -0.07 0.16 0.00 1.87 0.00 0.00 56.30 58.41 2wh0 h ASN 42 Cb 0.05 0.14 -0.12 0.00 0.27 0.00 0.00 38.32 38.66 2wh0 h ASN 42 CO -0.04 -0.15 0.09 -0.07 -0.37 0.00 0.00 177.43 176.90 2wh0 h LEU 43 N -1.04 -0.16 -0.45 0.34 3.38 -1.25 0.83 115.31 116.97 2wh0 h LEU 43 Ca -0.07 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2wh0 h LEU 43 Cb 0.58 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2wh0 h LEU 43 CO 0.11 -0.11 0.14 0.25 0.09 0.00 0.00 178.44 178.92 2wh0 h LEU 44 N 0.18 0.65 -0.60 1.67 5.85 -1.44 0.25 115.31 121.87 2wh0 h LEU 44 Ca 0.40 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2wh0 h LEU 44 Cb 0.70 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2wh0 h LEU 44 CO -0.57 0.69 0.32 -1.28 -0.34 0.00 0.00 178.44 177.25 2wh0 h SER 45 N 0.58 0.76 -0.28 1.25 0.87 -0.08 -1.78 113.55 114.87 2wh0 h SER 45 Ca 0.14 -0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 2wh0 h SER 45 Cb 0.27 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2wh0 h SER 45 CO -0.00 0.65 -0.41 0.58 -0.53 0.00 0.00 176.83 177.11 2wh0 h VAL 46 N 0.82 1.28 -0.19 2.23 2.07 0.72 -1.47 116.25 121.70 2wh0 h VAL 46 Ca 0.21 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2wh0 h VAL 46 Cb 0.06 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2wh0 h VAL 46 CO -0.03 0.52 0.03 0.00 0.02 0.00 0.00 177.57 178.11 2wh0 h ALA 47 N 0.85 0.25 0.04 1.67 0.00 -0.18 -2.18 119.26 119.71 2wh0 h ALA 47 Ca 0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 2wh0 h ALA 47 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2wh0 h ALA 47 CO 0.09 -0.08 -1.05 1.88 0.00 0.00 0.00 179.25 180.10 2wh0 h TYR 48 N 0.10 0.18 -0.87 0.00 0.05 -1.40 0.31 116.97 115.34 2wh0 h TYR 48 Ca 0.06 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2wh0 h TYR 48 Cb 0.32 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 2wh0 h TYR 48 CO 0.02 1.07 0.51 -0.22 -1.05 0.00 0.00 178.16 178.49 2wh0 h LYS 49 N 0.03 1.20 -0.10 4.88 1.63 -1.27 0.51 116.57 123.45 2wh0 h LYS 49 Ca -0.05 -0.12 -0.16 0.00 -0.85 0.00 0.00 60.65 59.47 2wh0 h LYS 49 Cb 1.78 -0.24 0.01 0.00 -0.60 0.00 0.00 32.23 33.18 2wh0 h LYS 49 CO 0.15 0.85 -0.57 -0.91 -3.45 0.00 0.00 179.45 175.52 2wh0 h ASN 50 N 1.21 0.68 -0.01 4.20 2.35 -1.35 0.14 115.58 122.79 2wh0 h ASN 50 Ca 0.31 -0.65 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2wh0 h ASN 50 Cb -0.02 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2wh0 h ASN 50 CO -0.06 1.22 0.01 0.58 -1.65 0.00 0.00 177.43 177.54 2wh0 h VAL 51 N 0.19 1.03 -0.25 2.81 2.07 -0.69 -2.31 116.25 119.11 2wh0 h VAL 51 Ca -0.04 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2wh0 h VAL 51 Cb 1.22 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2wh0 h VAL 51 CO 0.12 0.02 -0.31 1.62 0.02 0.00 0.00 177.57 179.04 2wh0 h VAL 52 N -0.01 1.31 -0.52 2.57 3.04 -0.06 -3.23 116.25 119.35 2wh0 h VAL 52 Ca 0.01 -1.50 0.14 0.00 -1.01 0.00 0.00 66.70 64.33 2wh0 h VAL 52 Cb 0.03 1.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 2wh0 h VAL 52 CO -0.00 0.47 0.37 1.23 -1.01 0.00 0.00 177.57 178.63 2wh0 h GLY 53 N 0.36 0.11 1.70 3.17 0.00 -0.63 0.51 103.07 108.30 2wh0 h GLY 53 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2wh0 h GLY 53 CO 0.07 0.01 -0.26 0.00 0.00 0.00 0.00 176.54 176.37 2wh0 h ALA 54 N 1.74 1.21 0.21 3.60 0.00 -1.43 -2.34 119.26 122.25 2wh0 h ALA 54 Ca 0.25 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 2wh0 h ALA 54 Cb 0.90 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.61 2wh0 h ALA 54 CO -0.02 0.52 -1.42 0.00 0.00 0.00 0.00 179.25 178.33 2wh0 h ARG 55 N 0.31 0.44 -0.69 0.00 -0.00 -1.05 -2.93 114.38 110.46 2wh0 h ARG 55 Ca 0.05 -0.76 0.04 0.00 -0.50 0.00 0.00 59.98 58.81 2wh0 h ARG 55 Cb 0.63 0.28 -0.05 0.00 0.00 0.00 0.00 29.97 30.83 2wh0 h ARG 55 CO 0.05 1.36 0.41 0.00 0.00 0.00 0.00 179.97 181.79 2wh0 h ARG 56 N 0.12 0.76 -0.24 0.04 3.08 -1.26 0.20 114.38 117.09 2wh0 h ARG 56 Ca -0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 2wh0 h ARG 56 Cb 2.10 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 2wh0 h ARG 56 CO 0.25 0.51 0.11 1.03 -1.07 0.00 0.00 179.97 180.80 2wh0 h SER 57 N 0.79 0.31 0.09 7.04 0.87 -1.51 0.67 113.55 121.81 2wh0 h SER 57 Ca 0.29 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 2wh0 h SER 57 Cb 0.10 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2wh0 h SER 57 CO -0.14 0.34 -0.31 0.28 -0.53 0.00 0.00 176.83 176.47 2wh0 h SER 58 N 0.25 0.33 -0.04 6.23 0.02 -1.29 -1.52 113.55 117.53 2wh0 h SER 58 Ca 0.08 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2wh0 h SER 58 Cb 0.12 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2wh0 h SER 58 CO -0.01 0.63 -0.03 -0.25 -1.14 0.00 0.00 176.83 176.03 2wh0 h TRP 59 N 0.29 0.12 -0.40 3.45 7.01 -0.36 -1.29 115.95 124.77 2wh0 h TRP 59 Ca 0.04 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2wh0 h TRP 59 Cb 0.69 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 2wh0 h TRP 59 CO 0.02 0.54 0.25 0.00 -2.79 0.00 0.00 178.44 176.45 2wh0 h ARG 60 N -0.33 0.54 -0.11 2.65 3.08 -0.77 0.57 114.38 120.00 2wh0 h ARG 60 Ca 0.01 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wh0 h ARG 60 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2wh0 h ARG 60 CO 0.01 0.38 -0.00 0.28 -1.07 0.00 0.00 179.97 179.57 2wh0 h VAL 61 N 0.53 0.92 0.00 2.04 2.07 -1.32 -0.55 116.25 119.94 2wh0 h VAL 61 Ca 0.14 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2wh0 h VAL 61 Cb -0.02 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2wh0 h VAL 61 CO -0.03 0.01 -0.52 0.58 0.02 0.00 0.00 177.57 177.63 2wh0 h VAL 62 N 0.03 1.17 -0.01 2.57 2.07 -0.74 -2.44 116.25 118.91 2wh0 h VAL 62 Ca 0.05 -1.92 -0.22 0.00 0.82 0.00 0.00 66.70 65.43 2wh0 h VAL 62 Cb 0.06 2.10 0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2wh0 h VAL 62 CO -0.09 0.51 -0.85 -1.28 0.02 0.00 0.00 177.57 175.88 2wh0 h SER 63 N 0.00 0.77 0.25 0.57 0.87 0.25 -2.20 113.55 114.07 2wh0 h SER 63 Ca -0.01 -0.74 -0.01 0.00 -1.23 0.00 0.00 61.79 59.81 2wh0 h SER 63 Cb 1.05 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2wh0 h SER 63 CO 0.07 1.41 -0.03 0.77 -0.53 0.00 0.00 176.83 178.51 2wh0 h SER 64 N 0.22 0.00 0.24 6.23 4.64 -0.95 -0.23 113.55 123.70 2wh0 h SER 64 Ca -0.10 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.92 2wh0 h SER 64 Cb 1.53 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.64 2wh0 h SER 64 CO 0.17 0.03 -1.27 0.40 -0.87 0.00 0.00 176.83 175.29 2wh0 h ILE 65 N 0.00 1.32 -0.34 0.95 2.04 -1.33 -2.07 117.51 118.08 2wh0 h ILE 65 Ca -0.00 -2.59 -0.04 0.00 1.00 0.00 0.00 64.86 63.23 2wh0 h ILE 65 Cb 0.17 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 2wh0 h ILE 65 CO 0.00 0.78 0.05 -0.08 0.00 0.00 0.00 178.15 178.90 2wh0 h GLU 66 N 0.22 0.50 -0.04 2.37 4.81 -0.45 -0.28 114.58 121.72 2wh0 h GLU 66 Ca -0.19 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 2wh0 h GLU 66 Cb 1.95 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 2wh0 h GLU 66 CO 0.24 0.49 -0.70 1.96 -0.73 0.00 0.00 179.01 180.27 2wh0 h GLN 67 N 0.49 0.22 0.00 1.92 4.20 -1.20 -3.11 115.11 117.63 2wh0 h GLN 67 Ca 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2wh0 h GLN 67 Cb 0.24 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2wh0 h GLN 67 CO 0.00 0.83 -0.11 1.57 -0.67 0.00 0.00 178.83 180.46 2wh0 h LYS 68 N 0.15 0.00 -0.45 1.46 5.09 -0.67 -3.11 116.57 119.04 2wh0 h LYS 68 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 2wh0 h LYS 68 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.57 2wh0 h LYS 68 CO 0.11 0.11 0.01 0.25 -2.09 0.00 0.00 179.45 177.84 2wh0 n THR 69 N -3.14 2.59 -1.69 0.07 -2.24 -0.18 -4.92 114.28 104.78 2wh0 n THR 69 Ca 0.03 -1.64 -0.44 0.00 -2.27 0.00 0.00 64.05 59.73 2wh0 n THR 69 Cb 0.54 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2wh0 n THR 69 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wh0 n GLU 70 N 0.08 2.33 -0.57 -0.78 4.07 -1.18 -0.85 120.64 123.74 2wh0 n GLU 70 Ca 0.26 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 58.20 2wh0 n GLU 70 Cb 1.09 -2.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.87 2wh0 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh0 n GLY 71 N 3.11 0.77 2.77 8.31 0.00 -1.26 -5.00 105.19 113.89 2wh0 n GLY 71 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2wh0 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh0 s ALA 72 N -2.96 1.87 0.00 4.61 0.00 -0.03 -5.06 121.76 120.19 2wh0 s ALA 72 Ca 0.00 -1.99 -0.22 0.00 0.00 0.00 0.00 51.96 49.75 2wh0 s ALA 72 Cb 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 23.12 21.27 2wh0 s ALA 72 CO 0.00 -1.75 0.98 1.49 0.00 0.00 0.00 175.76 176.48 2wh0 h GLU 73 N 7.74 -0.77 -0.95 0.00 4.81 -1.95 0.11 114.58 123.57 2wh0 h GLU 73 Ca -0.10 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.34 2wh0 h GLU 73 Cb 1.00 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 2wh0 h GLU 73 CO 0.48 -0.51 0.60 0.87 -0.73 0.00 0.00 179.01 179.72 2wh0 h LYS 74 N -1.12 0.76 -0.01 1.92 1.57 -1.97 -0.39 116.57 117.34 2wh0 h LYS 74 Ca -0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2wh0 h LYS 74 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2wh0 h LYS 74 CO 0.13 0.50 -0.02 0.87 -0.57 0.00 0.00 179.45 180.36 2wh0 h LYS 75 N 0.78 0.03 -0.65 3.15 1.57 -1.91 -2.71 116.57 116.83 2wh0 h LYS 75 Ca 0.49 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.30 2wh0 h LYS 75 Cb 0.71 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 2wh0 h LYS 75 CO -0.25 0.62 0.36 0.37 -0.57 0.00 0.00 179.45 179.98 2wh0 h GLN 76 N -0.56 0.65 -0.56 3.15 4.15 -0.65 0.19 115.11 121.47 2wh0 h GLN 76 Ca -0.00 -0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.50 2wh0 h GLN 76 Cb 0.62 -0.15 -0.10 0.00 0.21 0.00 0.00 27.48 28.06 2wh0 h GLN 76 CO 0.00 0.43 -0.07 1.96 -1.93 0.00 0.00 178.83 179.22 2wh0 h GLN 77 N 0.67 0.05 -0.14 1.69 4.20 -1.09 0.12 115.11 120.61 2wh0 h GLN 77 Ca 0.29 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 2wh0 h GLN 77 Cb 0.17 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2wh0 h GLN 77 CO -0.18 0.03 -0.09 1.98 -0.67 0.00 0.00 178.83 179.90 2wh0 h MET 78 N 0.05 0.31 -0.27 1.46 4.05 -0.97 -1.75 114.93 117.81 2wh0 h MET 78 Ca 0.28 -0.15 0.06 0.00 -0.28 0.00 0.00 59.70 59.62 2wh0 h MET 78 Cb 0.44 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.16 2wh0 h MET 78 CO -0.53 0.67 -0.30 0.00 0.23 0.00 0.00 176.91 176.97 2wh0 h ALA 79 N 0.64 -0.22 -0.34 0.39 0.00 -0.72 -2.49 119.26 116.51 2wh0 h ALA 79 Ca 0.03 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2wh0 h ALA 79 Cb 0.59 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2wh0 h ALA 79 CO 0.03 -0.73 0.06 -0.09 0.00 0.00 0.00 179.25 178.52 2wh0 h ARG 80 N -0.30 0.18 0.00 0.00 2.43 -0.61 0.85 114.38 116.94 2wh0 h ARG 80 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2wh0 h ARG 80 Cb 0.52 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2wh0 h ARG 80 CO -0.44 0.12 -0.05 0.93 -1.51 0.00 0.00 179.97 179.02 2wh0 h GLU 81 N 0.18 0.00 0.08 0.20 5.08 -1.22 0.15 114.58 119.05 2wh0 h GLU 81 Ca 0.16 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2wh0 h GLU 81 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2wh0 h GLU 81 CO -0.22 0.05 -0.56 -0.92 -1.00 0.00 0.00 179.01 176.36 2wh0 h TYR 82 N 0.00 0.32 -0.36 4.33 3.20 -0.80 -2.60 116.97 121.05 2wh0 h TYR 82 Ca -0.00 -0.23 0.05 0.00 3.14 0.00 0.00 58.73 61.69 2wh0 h TYR 82 Cb 0.10 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 2wh0 h TYR 82 CO 0.00 1.21 -0.52 -0.09 -1.64 0.00 0.00 178.16 177.12 2wh0 h ARG 83 N -0.62 -0.40 -0.91 1.82 2.43 -0.50 0.44 114.38 116.64 2wh0 h ARG 83 Ca -0.10 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.28 2wh0 h ARG 83 Cb 1.40 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.97 2wh0 h ARG 83 CO 0.08 -0.27 0.59 0.93 -1.51 0.00 0.00 179.97 179.79 2wh0 h GLU 84 N -0.41 0.52 -0.16 0.20 5.08 -0.82 0.11 114.58 119.10 2wh0 h GLU 84 Ca 0.08 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2wh0 h GLU 84 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2wh0 h GLU 84 CO -0.57 0.35 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.06 2wh0 h LYS 85 N 0.54 0.45 0.02 2.33 3.64 -0.74 -2.78 116.57 120.04 2wh0 h LYS 85 Ca 0.48 -0.27 -0.27 0.00 -1.27 0.00 0.00 60.65 59.32 2wh0 h LYS 85 Cb 1.00 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2wh0 h LYS 85 CO -0.22 0.86 -1.07 0.82 -2.27 0.00 0.00 179.45 177.58 2wh0 h ILE 86 N 0.36 1.29 -0.67 2.00 2.04 0.54 -3.22 117.51 119.85 2wh0 h ILE 86 Ca 0.01 -2.31 0.11 0.00 1.00 0.00 0.00 64.86 63.67 2wh0 h ILE 86 Cb 1.03 2.44 -0.08 0.00 -0.74 0.00 0.00 36.82 39.47 2wh0 h ILE 86 CO 0.09 0.71 0.26 -0.33 0.00 0.00 0.00 178.15 178.88 2wh0 h GLU 87 N 0.36 0.42 -0.37 2.37 5.08 -0.78 0.25 114.58 121.90 2wh0 h GLU 87 Ca -0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wh0 h GLU 87 Cb 1.73 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 2wh0 h GLU 87 CO 0.21 0.28 0.24 1.79 -1.00 0.00 0.00 179.01 180.53 2wh0 h THR 88 N 0.44 1.10 -0.37 1.13 1.35 -1.56 0.39 112.91 115.39 2wh0 h THR 88 Ca 0.35 -0.19 0.06 0.00 -0.55 0.00 0.00 66.41 66.07 2wh0 h THR 88 Cb 0.46 0.56 -0.05 0.00 -1.73 0.00 0.00 68.15 67.39 2wh0 h THR 88 CO -0.34 0.10 0.06 -0.33 -0.25 0.00 0.00 175.52 174.76 2wh0 h GLU 89 N 0.50 0.17 0.11 4.72 5.08 -1.32 -1.25 114.58 122.59 2wh0 h GLU 89 Ca 0.14 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2wh0 h GLU 89 Cb -0.05 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2wh0 h GLU 89 CO -0.03 0.11 -0.30 1.25 -1.00 0.00 0.00 179.01 179.04 2wh0 h LEU 90 N 0.17 -0.86 -0.34 1.33 6.46 0.26 -1.68 115.31 120.64 2wh0 h LEU 90 Ca 0.18 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 58.07 2wh0 h LEU 90 Cb 0.22 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2wh0 h LEU 90 CO -0.25 -0.39 0.14 0.03 -0.62 0.00 0.00 178.44 177.35 2wh0 h ARG 91 N -0.52 0.28 -0.24 1.25 3.08 -0.06 -0.34 114.38 117.84 2wh0 h ARG 91 Ca 0.03 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2wh0 h ARG 91 Cb 0.55 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2wh0 h ARG 91 CO -0.18 0.19 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.46 2wh0 h ASP 92 N 0.29 -0.10 -0.30 7.04 3.32 -1.05 1.25 116.42 126.86 2wh0 h ASP 92 Ca 0.15 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.33 2wh0 h ASP 92 Cb 0.11 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 2wh0 h ASP 92 CO -0.14 -0.02 -0.25 0.40 -1.72 0.00 0.00 179.24 177.51 2wh0 h ILE 93 N 0.07 0.36 -0.53 0.35 2.04 -1.01 0.25 117.51 119.04 2wh0 h ILE 93 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2wh0 h ILE 93 Cb 0.14 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2wh0 h ILE 93 CO -0.19 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.30 2wh0 h ASN 95 N 0.72 0.94 0.53 0.00 2.35 0.20 0.82 115.58 121.14 2wh0 h ASN 95 Ca 0.19 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2wh0 h ASN 95 Cb -0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2wh0 h ASN 95 CO -0.04 0.93 -0.34 0.44 -1.65 0.00 0.00 177.43 176.77 2wh0 h ASP 96 N 0.93 -0.87 0.07 5.81 5.19 -0.28 -2.22 116.42 125.06 2wh0 h ASP 96 Ca 0.19 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.67 2wh0 h ASP 96 Cb 0.39 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2wh0 h ASP 96 CO 0.01 -0.53 -0.15 0.58 -3.12 0.00 0.00 179.24 176.03 2wh0 h VAL 97 N -0.84 0.64 -0.06 -1.35 2.07 -0.90 -1.72 116.25 114.10 2wh0 h VAL 97 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2wh0 h VAL 97 Cb 0.69 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2wh0 h VAL 97 CO 0.05 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.63 2wh0 h LEU 98 N -0.29 0.00 0.03 2.57 3.38 -0.89 -1.04 115.31 119.07 2wh0 h LEU 98 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2wh0 h LEU 98 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wh0 h LEU 98 CO -0.10 0.00 -0.49 -1.28 0.09 0.00 0.00 178.44 176.66 2wh0 h SER 99 N 0.00 0.37 -0.95 -0.43 0.87 -0.82 -1.63 113.55 110.95 2wh0 h SER 99 Ca 0.03 -0.83 0.14 0.00 -1.23 0.00 0.00 61.79 59.90 2wh0 h SER 99 Cb 0.14 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.91 2wh0 h SER 99 CO -0.00 1.16 0.61 -0.07 -0.53 0.00 0.00 176.83 178.00 2wh0 h LEU 100 N -0.37 0.79 -0.50 2.23 3.38 -0.83 0.20 115.31 120.21 2wh0 h LEU 100 Ca -0.07 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2wh0 h LEU 100 Cb 1.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2wh0 h LEU 100 CO 0.09 0.40 -0.24 0.25 0.09 0.00 0.00 178.44 179.03 2wh0 h LEU 101 N 0.84 1.00 0.05 1.67 5.85 -1.15 0.14 115.31 123.71 2wh0 h LEU 101 Ca 0.48 -0.39 -0.26 0.00 0.84 0.00 0.00 57.88 58.55 2wh0 h LEU 101 Cb 0.63 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2wh0 h LEU 101 CO -0.25 1.19 -1.17 -0.33 -0.34 0.00 0.00 178.44 177.54 2wh0 h GLU 102 N 0.83 0.28 0.00 1.25 4.39 -0.44 -1.94 114.58 118.95 2wh0 h GLU 102 Ca 0.10 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 2wh0 h GLU 102 Cb 0.82 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2wh0 h GLU 102 CO 0.07 1.18 -1.43 1.63 -1.16 0.00 0.00 179.01 179.30 2wh0 n LYS 103 N -3.57 0.63 0.02 2.33 4.76 0.61 -4.49 118.16 118.44 2wh0 n LYS 103 Ca -0.08 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2wh0 n LYS 103 Cb 0.98 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 2wh0 n LYS 103 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2wh0 n PHE 104 N -2.55 -0.35 0.13 2.13 3.72 0.41 -4.86 117.46 116.08 2wh0 n PHE 104 Ca -0.03 0.06 -0.06 0.00 -0.05 0.00 0.00 57.45 57.37 2wh0 n PHE 104 Cb 0.60 0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 39.55 2wh0 n PHE 104 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wh0 h LEU 105 N 0.00 -0.33 0.47 4.37 3.38 -1.38 -2.98 115.31 118.84 2wh0 h LEU 105 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wh0 h LEU 105 Cb 0.13 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wh0 h LEU 105 CO 0.00 0.07 -0.23 0.40 0.09 0.00 0.00 178.44 178.77 2wh0 h ILE 106 N -1.01 0.54 -0.88 1.22 2.04 -1.61 -1.94 117.51 115.87 2wh0 h ILE 106 Ca -0.04 -0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.01 2wh0 h ILE 106 Cb 0.30 0.54 -0.16 0.00 -0.74 0.00 0.00 36.82 36.76 2wh0 h ILE 106 CO 0.07 0.00 -0.14 -0.65 0.00 0.00 0.00 178.15 177.43 2wh0 h PRO 107 N -0.64 0.02 -0.22 2.37 0.11 -1.75 -1.64 132.00 130.26 2wh0 h PRO 107 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wh0 h PRO 107 Cb 0.49 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2wh0 h PRO 107 CO 0.11 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.00 2wh0 n ASN 108 N -5.51 2.19 -4.55 -2.05 4.13 -1.12 -4.82 115.26 103.52 2wh0 n ASN 108 Ca 0.15 -1.79 -0.33 0.00 1.68 0.00 0.00 54.58 54.29 2wh0 n ASN 108 Cb 0.51 -0.14 -0.04 0.00 -1.54 0.00 0.00 39.78 38.57 2wh0 n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wh0 s ALA 109 N -1.73 1.85 -2.00 5.41 0.00 -0.62 -4.77 121.76 119.91 2wh0 s ALA 109 Ca 0.34 -0.91 0.21 0.00 0.00 0.00 0.00 51.96 51.60 2wh0 s ALA 109 Cb 0.19 -4.41 1.26 0.00 0.00 0.00 0.00 23.12 20.15 2wh0 s ALA 109 CO 0.28 -4.40 1.75 -1.13 0.00 0.00 0.00 175.76 172.26 2wh0 n SER 110 N 13.82 0.00 -4.35 0.00 3.41 -1.26 -4.64 113.62 120.60 2wh0 n SER 110 Ca 0.30 -1.14 -0.20 0.00 -0.26 0.00 0.00 58.87 57.57 2wh0 n SER 110 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 2wh0 n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wh0 s GLN 111 N -2.00 1.34 0.00 4.33 -0.21 -1.26 -5.05 119.66 116.81 2wh0 s GLN 111 Ca 0.32 -1.54 -0.25 0.00 0.02 0.00 0.00 55.36 53.91 2wh0 s GLN 111 Cb 0.15 -1.27 -0.18 0.00 1.00 0.00 0.00 33.01 32.70 2wh0 s GLN 111 CO 0.24 0.23 1.33 0.00 -2.12 0.00 0.00 175.29 174.98 2wh0 h ALA 112 N 2.80 -0.09 -0.61 6.09 0.00 -1.99 -0.58 119.26 124.88 2wh0 h ALA 112 Ca -0.40 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.44 2wh0 h ALA 112 Cb 1.22 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2wh0 h ALA 112 CO 0.57 -0.36 0.14 1.49 0.00 0.00 0.00 179.25 181.09 2wh0 h GLU 113 N -0.47 0.27 -0.24 0.00 4.22 -1.96 0.38 114.58 116.79 2wh0 h GLU 113 Ca -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 2wh0 h GLU 113 Cb 0.41 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wh0 h GLU 113 CO 0.02 0.18 0.07 0.77 -2.18 0.00 0.00 179.01 177.87 2wh0 h SER 114 N 0.28 0.35 -0.20 1.04 0.02 -1.93 0.24 113.55 113.35 2wh0 h SER 114 Ca 0.32 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2wh0 h SER 114 Cb 0.47 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 2wh0 h SER 114 CO -0.40 0.46 -0.12 0.50 -1.14 0.00 0.00 176.83 176.13 2wh0 h LYS 115 N 0.21 -0.10 -0.98 3.45 1.63 -0.39 -0.51 116.57 119.88 2wh0 h LYS 115 Ca 0.08 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 2wh0 h LYS 115 Cb 0.24 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 2wh0 h LYS 115 CO -0.00 -0.07 0.64 0.28 -3.45 0.00 0.00 179.45 176.85 2wh0 h VAL 116 N -0.10 1.20 -0.32 2.00 2.07 -0.71 -1.68 116.25 118.71 2wh0 h VAL 116 Ca 0.11 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2wh0 h VAL 116 Cb 0.28 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2wh0 h VAL 116 CO -0.27 0.23 -0.09 0.15 0.02 0.00 0.00 177.57 177.61 2wh0 h PHE 117 N 1.27 0.70 -0.05 1.57 3.04 0.13 -1.74 116.94 121.87 2wh0 h PHE 117 Ca 0.38 -0.16 -0.21 0.00 3.98 0.00 0.00 57.97 61.96 2wh0 h PHE 117 Cb -0.06 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.28 2wh0 h PHE 117 CO -0.00 0.81 -0.85 1.88 -2.02 0.00 0.00 178.31 178.13 2wh0 h TYR 118 N 0.39 0.69 -0.11 0.41 0.05 -0.97 -1.49 116.97 115.95 2wh0 h TYR 118 Ca 0.08 -0.34 -0.13 0.00 0.05 0.00 0.00 58.73 58.39 2wh0 h TYR 118 Cb 0.60 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2wh0 h TYR 118 CO 0.05 1.14 -0.49 -0.07 -1.05 0.00 0.00 178.16 177.75 2wh0 h LEU 119 N 0.31 0.30 0.83 3.88 4.07 -1.35 0.14 115.31 123.49 2wh0 h LEU 119 Ca -0.06 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.71 2wh0 h LEU 119 Cb 1.47 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 43.13 2wh0 h LEU 119 CO 0.15 0.74 -0.40 0.50 -1.08 0.00 0.00 178.44 178.36 2wh0 h LYS 120 N 0.22 -1.07 -0.91 1.13 3.64 -1.19 -0.66 116.57 117.73 2wh0 h LYS 120 Ca 0.01 0.07 0.26 0.00 -1.27 0.00 0.00 60.65 59.72 2wh0 h LYS 120 Cb 0.94 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 32.85 2wh0 h LYS 120 CO 0.08 -0.71 0.24 1.98 -2.27 0.00 0.00 179.45 178.77 2wh0 h MET 121 N -1.15 0.16 -0.46 1.90 4.05 -1.09 0.40 114.93 118.75 2wh0 h MET 121 Ca -0.11 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 2wh0 h MET 121 Cb 0.86 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 2wh0 h MET 121 CO 0.19 0.11 0.17 -0.22 0.23 0.00 0.00 176.91 177.39 2wh0 h LYS 122 N 0.17 0.69 -0.55 0.39 3.64 -0.44 -0.21 116.57 120.26 2wh0 h LYS 122 Ca 0.59 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.82 2wh0 h LYS 122 Cb 1.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2wh0 h LYS 122 CO -0.70 0.64 0.27 0.78 -2.27 0.00 0.00 179.45 178.17 2wh0 h GLY 123 N 0.60 0.83 1.01 5.01 0.00 0.69 -1.63 103.07 109.58 2wh0 h GLY 123 Ca 0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2wh0 h GLY 123 CO -0.01 0.36 -0.41 -0.55 0.00 0.00 0.00 176.54 175.93 2wh0 h ASP 124 N 0.77 -0.98 0.38 0.19 3.32 0.37 -1.66 116.42 118.83 2wh0 h ASP 124 Ca 0.19 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 2wh0 h ASP 124 Cb 0.07 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2wh0 h ASP 124 CO -0.03 -0.69 -0.40 1.88 -1.72 0.00 0.00 179.24 178.28 2wh0 h TYR 125 N -1.14 0.03 0.00 4.55 -1.99 -0.93 0.20 116.97 117.69 2wh0 h TYR 125 Ca -0.12 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.61 2wh0 h TYR 125 Cb 0.88 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.60 2wh0 h TYR 125 CO -0.02 0.42 0.00 1.88 -0.00 0.00 0.00 178.16 180.44 2wh0 h TYR 126 N 0.02 0.00 0.04 4.88 0.05 -1.31 -1.88 116.97 118.78 2wh0 h TYR 126 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 2wh0 h TYR 126 Cb 0.71 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.46 2wh0 h TYR 126 CO 0.00 0.00 -0.45 -0.09 -1.05 0.00 0.00 178.16 176.57 2wh0 h ARG 127 N 0.00 0.23 -0.63 4.88 2.43 0.33 -1.96 114.38 119.67 2wh0 h ARG 127 Ca 0.00 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 2wh0 h ARG 127 Cb 0.47 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2wh0 h ARG 127 CO 0.00 1.07 0.41 1.88 -1.51 0.00 0.00 179.97 181.82 2wh0 h TYR 128 N -0.46 0.64 -0.23 2.20 0.05 -0.94 0.18 116.97 118.41 2wh0 h TYR 128 Ca -0.07 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.57 2wh0 h TYR 128 Cb 1.26 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 2wh0 h TYR 128 CO 0.19 0.35 -0.49 -0.07 -1.05 0.00 0.00 178.16 177.10 2wh0 h LEU 129 N 0.64 0.68 -1.40 3.88 3.38 -1.42 -3.10 115.31 117.97 2wh0 h LEU 129 Ca 0.27 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2wh0 h LEU 129 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2wh0 h LEU 129 CO -0.08 1.05 -0.23 0.00 0.09 0.00 0.00 178.44 179.28 2wh0 h ALA 130 N 0.97 1.15 -0.01 1.53 0.00 -0.12 -0.64 119.26 122.13 2wh0 h ALA 130 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2wh0 h ALA 130 Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2wh0 h ALA 130 CO 0.10 0.28 -0.46 0.93 0.00 0.00 0.00 179.25 180.10 2wh0 h GLU 131 N 0.00 0.02 -0.03 0.00 5.08 -0.67 -3.25 114.58 115.73 2wh0 h GLU 131 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wh0 h GLU 131 Cb 0.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2wh0 h GLU 131 CO 0.03 0.47 0.00 1.33 -1.00 0.00 0.00 179.01 179.84 2wh0 n VAL 132 N -4.00 0.39 -2.81 3.13 0.24 -1.08 -5.02 118.33 109.19 2wh0 n VAL 132 Ca -0.02 -0.70 -0.32 0.00 -2.04 0.00 0.00 64.34 61.27 2wh0 n VAL 132 Cb 0.48 0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 2wh0 n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wh0 s ALA 133 N -0.51 3.21 -0.11 2.33 0.00 -0.27 -5.07 121.76 121.33 2wh0 s ALA 133 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2wh0 s ALA 133 Cb 0.02 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2wh0 s ALA 133 CO 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 175.76 175.74 2wh0 s ALA 134 N -2.29 1.43 0.00 0.00 0.00 -1.26 -4.84 121.76 114.80 2wh0 s ALA 134 Ca 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2wh0 s ALA 134 Cb -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2wh0 s ALA 134 CO 0.24 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2wh0 n GLY 135 N 4.53 0.72 0.00 0.00 0.00 -1.26 -3.74 105.19 105.44 2wh0 n GLY 135 Ca -0.17 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2wh0 n GLY 135 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh0 n ASP 136 N 5.20 0.00 0.25 1.61 5.68 -1.26 -1.58 116.55 126.45 2wh0 n ASP 136 Ca 0.00 0.69 0.17 0.00 -0.50 0.00 0.00 54.79 55.15 2wh0 n ASP 136 Cb 0.00 -0.19 0.89 0.00 -1.14 0.00 0.00 41.12 40.68 2wh0 n ASP 136 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2wh0 h ASP 137 N 0.00 0.00 -0.55 -1.12 3.04 -1.99 -3.11 116.42 112.70 2wh0 h ASP 137 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2wh0 h ASP 137 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2wh0 h ASP 137 CO 0.00 0.00 0.35 0.50 -2.04 0.00 0.00 179.24 178.05 2wh0 h LYS 138 N 0.00 0.75 -0.41 4.15 3.64 -1.46 -3.01 116.57 120.23 2wh0 h LYS 138 Ca 0.06 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2wh0 h LYS 138 Cb 0.37 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2wh0 h LYS 138 CO -0.00 0.52 0.24 -0.22 -2.27 0.00 0.00 179.45 177.71 2wh0 h LYS 139 N 0.77 0.46 0.00 1.90 1.63 -1.55 -1.68 116.57 118.10 2wh0 h LYS 139 Ca 0.20 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.84 2wh0 h LYS 139 Cb -0.05 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 2wh0 h LYS 139 CO -0.04 0.31 -0.65 0.78 -3.45 0.00 0.00 179.45 176.39 2wh0 h GLY 140 N 0.48 0.00 0.71 5.01 0.00 -1.77 -2.69 103.07 104.81 2wh0 h GLY 140 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2wh0 h GLY 140 CO -0.08 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.21 2wh0 h ILE 141 N 0.00 1.12 -0.95 2.60 5.03 -1.46 -1.10 117.51 122.75 2wh0 h ILE 141 Ca -0.01 -0.64 0.14 0.00 -0.12 0.00 0.00 64.86 64.23 2wh0 h ILE 141 Cb 1.37 1.54 -0.09 0.00 -3.03 0.00 0.00 36.82 36.61 2wh0 h ILE 141 CO 0.08 0.16 0.57 0.58 -0.68 0.00 0.00 178.15 178.86 2wh0 h VAL 142 N -0.37 0.84 -0.05 1.67 2.07 -1.29 -1.50 116.25 117.62 2wh0 h VAL 142 Ca -0.01 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 2wh0 h VAL 142 Cb 0.33 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2wh0 h VAL 142 CO 0.01 0.15 -0.72 0.44 0.02 0.00 0.00 177.57 177.47 2wh0 h ASP 143 N 0.85 0.31 0.04 0.57 3.32 -1.43 -0.49 116.42 119.59 2wh0 h ASP 143 Ca 0.49 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 2wh0 h ASP 143 Cb 0.59 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2wh0 h ASP 143 CO -0.31 0.93 -0.38 1.56 -1.72 0.00 0.00 179.24 179.33 2wh0 h GLN 144 N 0.18 0.46 0.22 3.56 1.08 -0.37 0.53 115.11 120.75 2wh0 h GLN 144 Ca -0.02 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2wh0 h GLN 144 Cb 1.29 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2wh0 h GLN 144 CO 0.11 0.77 -0.11 1.03 -0.95 0.00 0.00 178.83 179.69 2wh0 h SER 145 N 0.38 -0.25 -0.65 1.46 0.87 -1.24 -2.80 113.55 111.33 2wh0 h SER 145 Ca 0.04 -0.28 0.13 0.00 -1.23 0.00 0.00 61.79 60.45 2wh0 h SER 145 Cb 0.84 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 62.74 2wh0 h SER 145 CO 0.07 0.24 -0.18 -0.61 -0.53 0.00 0.00 176.83 175.82 2wh0 h GLN 146 N -0.84 -0.01 0.00 2.24 4.15 -1.03 0.18 115.11 119.80 2wh0 h GLN 146 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2wh0 h GLN 146 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2wh0 h GLN 146 CO 0.05 -0.01 -0.40 0.37 -1.93 0.00 0.00 178.83 176.91 2wh0 h GLN 147 N -0.01 0.00 -0.03 1.69 5.75 -0.97 0.26 115.11 121.80 2wh0 h GLN 147 Ca 0.31 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.69 2wh0 h GLN 147 Cb 0.49 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.04 2wh0 h GLN 147 CO -0.67 0.40 -0.42 0.00 -2.65 0.00 0.00 178.83 175.49 2wh0 h ALA 148 N 1.60 0.09 -0.90 3.38 0.00 -0.93 -2.93 119.26 119.57 2wh0 h ALA 148 Ca -0.00 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.47 2wh0 h ALA 148 Cb 0.75 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2wh0 h ALA 148 CO 0.05 0.24 0.56 1.88 0.00 0.00 0.00 179.25 181.98 2wh0 h TYR 149 N -0.19 1.03 -0.02 0.00 0.05 -0.45 -2.50 116.97 114.89 2wh0 h TYR 149 Ca -0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2wh0 h TYR 149 Cb 1.12 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 2wh0 h TYR 149 CO 0.15 0.51 0.00 0.37 -1.05 0.00 0.00 178.16 178.14 2wh0 h GLN 150 N 1.00 0.04 -0.86 4.88 5.75 -0.95 0.50 115.11 125.47 2wh0 h GLN 150 Ca 0.40 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.86 2wh0 h GLN 150 Cb 0.20 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 2wh0 h GLN 150 CO -0.18 0.27 0.42 1.49 -2.65 0.00 0.00 178.83 178.18 2wh0 h GLU 151 N -0.20 1.24 0.00 1.69 4.81 -1.51 -1.52 114.58 119.08 2wh0 h GLU 151 Ca 0.01 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2wh0 h GLU 151 Cb 0.25 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2wh0 h GLU 151 CO 0.00 0.94 -0.10 0.00 -0.73 0.00 0.00 179.01 179.12 2wh0 h ALA 152 N 1.23 1.79 0.11 2.92 0.00 -1.18 -2.57 119.26 121.58 2wh0 h ALA 152 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wh0 h ALA 152 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wh0 h ALA 152 CO -0.04 0.13 -0.05 0.35 0.00 0.00 0.00 179.25 179.63 2wh0 h PHE 153 N 0.00 -0.14 -0.89 0.00 3.57 0.09 -2.32 116.94 117.25 2wh0 h PHE 153 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2wh0 h PHE 153 Cb 0.18 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 2wh0 h PHE 153 CO 0.00 0.35 0.58 0.93 -2.23 0.00 0.00 178.31 177.95 2wh0 h GLU 154 N -0.78 1.01 -0.17 1.11 3.07 -1.36 0.16 114.58 117.63 2wh0 h GLU 154 Ca -0.02 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.64 2wh0 h GLU 154 Cb 0.56 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2wh0 h GLU 154 CO 0.03 0.67 -0.52 0.82 -1.40 0.00 0.00 179.01 178.60 2wh0 h ILE 155 N 1.04 1.33 -0.31 3.13 2.04 -1.52 -0.01 117.51 123.21 2wh0 h ILE 155 Ca 0.38 -1.77 -0.14 0.00 1.00 0.00 0.00 64.86 64.33 2wh0 h ILE 155 Cb 0.15 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2wh0 h ILE 155 CO -0.13 0.54 -0.33 0.77 0.00 0.00 0.00 178.15 179.00 2wh0 h SER 156 N 0.37 0.83 -0.70 1.72 4.64 -0.80 0.41 113.55 120.02 2wh0 h SER 156 Ca 0.01 -0.48 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2wh0 h SER 156 Cb 1.04 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 2wh0 h SER 156 CO 0.09 1.14 0.37 0.11 -0.87 0.00 0.00 176.83 177.67 2wh0 h LYS 157 N 0.53 1.01 0.38 4.77 1.57 -0.62 -0.95 116.57 123.26 2wh0 h LYS 157 Ca 0.05 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2wh0 h LYS 157 Cb 0.92 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2wh0 h LYS 157 CO 0.08 0.76 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.32 2wh0 h LYS 158 N 1.01 -0.49 0.00 3.15 3.64 -0.77 -3.39 116.57 119.72 2wh0 h LYS 158 Ca 0.25 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2wh0 h LYS 158 Cb 0.06 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2wh0 h LYS 158 CO -0.04 -0.19 -0.91 0.39 -2.27 0.00 0.00 179.45 176.44 2wh0 n GLU 159 N -5.14 0.48 -4.33 1.90 -0.58 0.14 -4.96 120.64 108.15 2wh0 n GLU 159 Ca -0.09 0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 2wh0 n GLU 159 Cb 0.27 -1.76 -0.12 0.00 -0.57 0.00 0.00 31.44 29.26 2wh0 n GLU 159 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2wh0 s MET 160 N -3.29 1.25 0.45 3.49 -1.94 -0.37 -5.06 119.30 113.84 2wh0 s MET 160 Ca 0.02 -1.29 -0.23 0.00 -1.71 0.00 0.00 55.69 52.48 2wh0 s MET 160 Cb 0.11 -1.53 -0.08 0.00 2.01 0.00 0.00 34.83 35.34 2wh0 s MET 160 CO 0.77 0.35 1.13 -0.65 -0.01 0.00 0.00 175.02 176.61 2wh0 s GLN 161 N -2.21 3.83 0.05 2.03 -0.21 -1.26 -4.71 119.66 117.18 2wh0 s GLN 161 Ca 0.11 1.69 0.05 0.00 0.02 0.00 0.00 55.36 57.24 2wh0 s GLN 161 Cb -0.09 -2.40 0.26 0.00 1.00 0.00 0.00 33.01 31.78 2wh0 s GLN 161 CO 0.06 -0.48 1.17 -2.30 -2.12 0.00 0.00 175.29 171.62 2wh0 n PRO 162 N -0.46 0.02 0.00 2.91 -0.02 -1.26 -0.36 135.00 135.84 2wh0 n PRO 162 Ca 0.07 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 2wh0 n PRO 162 Cb 0.49 -1.57 0.30 0.00 -0.02 0.00 0.00 33.50 32.70 2wh0 n PRO 162 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wh0 n THR 163 N -1.63 0.00 -1.89 3.45 -2.24 -1.26 -4.51 114.28 106.21 2wh0 n THR 163 Ca 0.00 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 2wh0 n THR 163 Cb 0.03 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 2wh0 n THR 163 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2wh0 s HIS 164 N -2.23 2.37 0.42 4.78 5.04 0.52 -4.68 115.29 121.50 2wh0 s HIS 164 Ca 0.29 0.26 0.19 0.00 -1.54 0.00 0.00 55.06 54.26 2wh0 s HIS 164 Cb 0.20 -4.00 1.13 0.00 0.04 0.00 0.00 32.58 29.94 2wh0 s HIS 164 CO 0.42 -4.04 1.82 -1.35 -2.34 0.00 0.00 174.74 169.25 2wh0 h PRO 165 N 8.38 0.36 0.07 2.88 0.11 -1.89 0.04 132.00 141.95 2wh0 h PRO 165 Ca -0.43 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 2wh0 h PRO 165 Cb 1.20 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wh0 h PRO 165 CO 0.93 0.24 -1.13 0.82 -0.21 0.00 0.00 178.00 178.65 2wh0 h ILE 166 N 0.37 1.36 -0.65 4.15 1.08 -1.96 -2.27 117.51 119.59 2wh0 h ILE 166 Ca 0.52 -2.55 -0.06 0.00 -0.39 0.00 0.00 64.86 62.38 2wh0 h ILE 166 Cb 1.37 2.62 -0.03 0.00 -3.07 0.00 0.00 36.82 37.72 2wh0 h ILE 166 CO -0.21 0.77 0.16 -0.09 -0.69 0.00 0.00 178.15 178.09 2wh0 h ARG 167 N 0.23 1.04 -0.13 2.37 2.43 -1.38 -2.52 114.38 116.42 2wh0 h ARG 167 Ca -0.14 -0.25 -0.17 0.00 -0.81 0.00 0.00 59.98 58.61 2wh0 h ARG 167 Cb 1.80 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 2wh0 h ARG 167 CO 0.20 0.93 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.90 2wh0 h LEU 168 N 0.97 0.54 -0.78 3.80 3.38 -1.15 -2.09 115.31 119.97 2wh0 h LEU 168 Ca 0.21 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2wh0 h LEU 168 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2wh0 h LEU 168 CO 0.00 1.03 -0.44 1.23 0.09 0.00 0.00 178.44 180.36 2wh0 h GLY 169 N 1.16 0.00 1.49 0.83 0.00 -1.32 0.11 103.07 105.33 2wh0 h GLY 169 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 2wh0 h GLY 169 CO 0.11 0.00 -1.35 -2.00 0.00 0.00 0.00 176.54 173.30 2wh0 h LEU 170 N 0.00 0.37 0.02 3.11 5.85 -1.42 -1.85 115.31 121.39 2wh0 h LEU 170 Ca -0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 2wh0 h LEU 170 Cb 1.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2wh0 h LEU 170 CO 0.06 1.36 -0.01 0.00 -0.34 0.00 0.00 178.44 179.50 2wh0 h ALA 171 N 0.59 -0.03 -0.07 1.25 0.00 -1.21 0.21 119.26 120.00 2wh0 h ALA 171 Ca -0.17 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2wh0 h ALA 171 Cb 1.98 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 2wh0 h ALA 171 CO 0.18 -0.39 -0.32 1.25 0.00 0.00 0.00 179.25 179.96 2wh0 h LEU 172 N -0.26 -0.99 -1.27 0.00 5.85 -0.88 0.12 115.31 117.89 2wh0 h LEU 172 Ca -0.00 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2wh0 h LEU 172 Cb 0.25 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2wh0 h LEU 172 CO 0.00 -0.37 0.16 0.78 -0.34 0.00 0.00 178.44 178.67 2wh0 h ASN 173 N -0.43 0.60 -0.16 1.25 4.21 -1.25 -1.05 115.58 118.74 2wh0 h ASN 173 Ca 0.08 -0.08 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 2wh0 h ASN 173 Cb 0.55 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2wh0 h ASN 173 CO -0.31 0.57 -0.43 0.15 -1.29 0.00 0.00 177.43 176.11 2wh0 h PHE 174 N 0.65 0.86 -0.30 1.19 3.57 -0.24 -1.33 116.94 121.34 2wh0 h PHE 174 Ca 0.16 -0.26 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 2wh0 h PHE 174 Cb 0.17 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2wh0 h PHE 174 CO 0.01 1.02 -0.26 0.66 -2.23 0.00 0.00 178.31 177.50 2wh0 h SER 175 N 0.58 0.61 -0.15 0.41 4.64 -0.35 -1.96 113.55 117.32 2wh0 h SER 175 Ca 0.04 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2wh0 h SER 175 Cb 0.98 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2wh0 h SER 175 CO 0.09 0.85 0.04 0.58 -0.87 0.00 0.00 176.83 177.52 2wh0 h VAL 176 N 0.52 1.19 -0.53 0.95 2.07 -0.98 -0.50 116.25 118.97 2wh0 h VAL 176 Ca 0.07 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.11 2wh0 h VAL 176 Cb 0.73 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 31.71 2wh0 h VAL 176 CO 0.06 0.18 -0.08 0.15 0.02 0.00 0.00 177.57 177.90 2wh0 h PHE 177 N 0.05 -0.18 0.29 1.57 3.57 -1.09 0.30 116.94 121.44 2wh0 h PHE 177 Ca 0.05 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2wh0 h PHE 177 Cb 0.24 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2wh0 h PHE 177 CO 0.00 -0.19 -0.16 1.88 -2.23 0.00 0.00 178.31 177.61 2wh0 h TYR 178 N 0.05 -0.42 -0.52 0.41 0.05 -1.19 0.48 116.97 115.83 2wh0 h TYR 178 Ca 0.26 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 2wh0 h TYR 178 Cb 0.41 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 2wh0 h TYR 178 CO -0.40 -0.25 0.30 -0.92 -1.05 0.00 0.00 178.16 175.84 2wh0 h TYR 179 N -0.42 0.70 0.00 4.88 5.03 -0.30 0.68 116.97 127.55 2wh0 h TYR 179 Ca -0.03 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.11 2wh0 h TYR 179 Cb 0.34 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.36 2wh0 h TYR 179 CO -0.08 0.51 -1.90 0.39 -1.32 0.00 0.00 178.16 175.76 2wh0 n GLU 180 N -4.65 1.07 -0.08 1.82 1.02 0.98 -3.38 120.64 117.41 2wh0 n GLU 180 Ca 0.03 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 2wh0 n GLU 180 Cb 0.07 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 2wh0 n GLU 180 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wh0 h ILE 181 N 0.00 0.65 -0.17 -3.67 1.08 -0.14 -3.38 117.51 111.87 2wh0 h ILE 181 Ca -0.23 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 2wh0 h ILE 181 Cb 1.40 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 2wh0 h ILE 181 CO 0.01 0.22 0.00 0.00 -0.69 0.00 0.00 178.15 177.69 2wh0 n LEU 182 N -4.55 3.33 -3.82 1.44 -0.00 -1.12 -5.01 117.00 107.28 2wh0 n LEU 182 Ca -0.19 -3.00 -0.29 0.00 -0.00 0.00 0.00 56.01 52.54 2wh0 n LEU 182 Cb 0.46 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2wh0 n LEU 182 CO 0.16 0.68 -0.22 -3.20 -0.00 0.00 0.00 177.39 174.82 2wh0 n ASN 183 N -0.78 -4.30 -4.10 1.45 4.05 0.86 -4.89 115.26 107.54 2wh0 n ASN 183 Ca 0.19 -1.01 -0.36 0.00 0.45 0.00 0.00 54.58 53.85 2wh0 n ASN 183 Cb 0.79 -1.49 -0.07 0.00 1.23 0.00 0.00 39.78 40.24 2wh0 n ASN 183 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2wh0 s SER 184 N -3.11 5.84 0.24 1.20 0.15 0.20 -4.94 113.70 113.29 2wh0 s SER 184 Ca 0.12 -3.58 -0.07 0.00 0.70 0.00 0.00 55.95 53.13 2wh0 s SER 184 Cb -0.07 -1.89 0.26 0.00 -1.71 0.00 0.00 66.02 62.60 2wh0 s SER 184 CO 0.86 -0.21 1.90 1.55 1.20 0.00 0.00 173.24 178.54 2wh0 h PRO 185 N 6.17 1.16 0.08 5.44 0.13 -1.84 0.59 132.00 143.74 2wh0 h PRO 185 Ca 0.13 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2wh0 h PRO 185 Cb 0.84 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2wh0 h PRO 185 CO 0.83 0.77 -0.04 0.93 -0.23 0.00 0.00 178.00 180.26 2wh0 h GLU 186 N 1.20 -0.10 0.23 0.86 3.07 -1.97 -0.80 114.58 117.06 2wh0 h GLU 186 Ca 0.35 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2wh0 h GLU 186 Cb -0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2wh0 h GLU 186 CO -0.10 0.01 -0.16 -0.22 -1.40 0.00 0.00 179.01 177.14 2wh0 h LYS 187 N -0.19 -0.38 -0.84 2.33 1.63 -1.88 0.21 116.57 117.45 2wh0 h LYS 187 Ca -0.01 0.03 0.16 0.00 -0.85 0.00 0.00 60.65 59.97 2wh0 h LYS 187 Cb 0.16 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 31.77 2wh0 h LYS 187 CO 0.02 -0.25 0.40 0.00 -3.45 0.00 0.00 179.45 176.17 2wh0 h ALA 188 N 0.36 1.25 -0.22 5.00 0.00 -0.88 0.17 119.26 124.95 2wh0 h ALA 188 Ca -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wh0 h ALA 188 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wh0 h ALA 188 CO 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 179.01 2wh0 h SER 190 N 0.16 0.50 0.58 0.00 4.64 -0.04 0.23 113.55 119.62 2wh0 h SER 190 Ca 0.05 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2wh0 h SER 190 Cb 0.55 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2wh0 h SER 190 CO 0.03 0.87 -0.28 0.25 -0.87 0.00 0.00 176.83 176.83 2wh0 h LEU 191 N 0.38 -0.66 -1.29 5.97 6.46 -0.69 0.21 115.31 125.68 2wh0 h LEU 191 Ca 0.03 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2wh0 h LEU 191 Cb 0.92 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 2wh0 h LEU 191 CO 0.08 -0.35 0.49 0.00 -0.62 0.00 0.00 178.44 178.04 2wh0 h ALA 192 N -0.67 1.53 0.04 1.25 0.00 -1.08 -1.30 119.26 119.03 2wh0 h ALA 192 Ca -0.08 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 2wh0 h ALA 192 Cb 0.66 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wh0 h ALA 192 CO 0.13 0.40 -1.03 -0.22 0.00 0.00 0.00 179.25 178.54 2wh0 h LYS 193 N 0.94 0.38 -0.60 0.00 3.64 -0.48 -1.54 116.57 118.91 2wh0 h LYS 193 Ca 0.29 -0.46 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 2wh0 h LYS 193 Cb 0.00 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2wh0 h LYS 193 CO -0.08 1.14 0.04 1.15 -2.27 0.00 0.00 179.45 179.43 2wh0 h THR 194 N 0.19 1.26 -0.58 1.00 2.02 -0.31 -1.03 112.91 115.47 2wh0 h THR 194 Ca -0.10 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 2wh0 h THR 194 Cb 1.68 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2wh0 h THR 194 CO 0.18 0.40 -0.00 0.00 0.37 0.00 0.00 175.52 176.46 2wh0 h ALA 195 N 1.00 0.89 0.23 6.16 0.00 -1.22 -2.19 119.26 124.13 2wh0 h ALA 195 Ca 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2wh0 h ALA 195 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wh0 h ALA 195 CO 0.02 0.66 -0.11 0.35 0.00 0.00 0.00 179.25 180.17 2wh0 h PHE 196 N 0.93 -0.29 -0.36 0.00 3.57 -1.21 -3.11 116.94 116.48 2wh0 h PHE 196 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2wh0 h PHE 196 Cb 0.55 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 2wh0 h PHE 196 CO 0.04 -0.00 0.01 -0.44 -2.23 0.00 0.00 178.31 175.68 2wh0 h ASP 197 N -0.57 -0.13 -0.11 0.41 3.32 -1.15 0.14 116.42 118.33 2wh0 h ASP 197 Ca -0.03 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 2wh0 h ASP 197 Cb 0.42 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2wh0 h ASP 197 CO 0.05 -0.03 -0.53 -0.33 -1.72 0.00 0.00 179.24 176.69 2wh0 h GLU 198 N 0.11 0.69 0.02 3.56 5.08 -1.48 0.09 114.58 122.66 2wh0 h GLU 198 Ca 0.18 -0.43 -0.23 0.00 -1.00 0.00 0.00 59.36 57.88 2wh0 h GLU 198 Cb 0.24 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2wh0 h GLU 198 CO -0.29 1.05 -1.12 0.00 -1.00 0.00 0.00 179.01 177.65 2wh0 h ALA 199 N 0.87 0.34 -0.08 3.43 0.00 -1.49 -3.12 119.26 119.20 2wh0 h ALA 199 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 2wh0 h ALA 199 Cb 1.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2wh0 h ALA 199 CO 0.11 1.23 -0.06 -0.84 0.00 0.00 0.00 179.25 179.69 2wh0 h ILE 200 N 0.01 1.10 0.00 0.00 -2.65 -0.53 -1.87 117.51 113.57 2wh0 h ILE 200 Ca -0.06 -0.41 0.00 0.00 1.03 0.00 0.00 64.86 65.42 2wh0 h ILE 200 Cb 1.83 1.10 0.00 0.00 -2.05 0.00 0.00 36.82 37.70 2wh0 h ILE 200 CO 0.14 0.13 0.00 0.00 0.03 0.00 0.00 178.15 178.44 2wh0 n ALA 201 N -2.51 2.27 -2.60 0.16 0.00 0.00 -3.79 120.51 114.04 2wh0 n ALA 201 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2wh0 n ALA 201 Cb 0.18 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2wh0 n ALA 201 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wh0 n GLU 202 N -1.28 0.74 -0.40 0.00 1.02 -0.73 -4.89 120.64 115.10 2wh0 n GLU 202 Ca 0.12 -2.46 0.33 0.00 -0.02 0.00 0.00 57.16 55.13 2wh0 n GLU 202 Cb 0.20 -0.56 0.60 0.00 -0.02 0.00 0.00 31.44 31.66 2wh0 n GLU 202 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2wh0 h LEU 203 N 1.54 0.31 0.00 -4.62 -0.00 -1.59 0.51 115.31 111.46 2wh0 h LEU 203 Ca -0.23 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2wh0 h LEU 203 Cb 1.59 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.37 2wh0 h LEU 203 CO 0.09 -0.15 0.00 -0.90 -0.00 0.00 0.00 178.44 177.48 2wh0 n ASP 204 N -4.76 0.00 -0.82 0.17 5.75 -1.26 -1.03 116.55 114.60 2wh0 n ASP 204 Ca 0.35 -0.22 0.11 0.00 -0.01 0.00 0.00 54.79 55.01 2wh0 n ASP 204 Cb 1.28 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 41.45 2wh0 n ASP 204 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wh0 n THR 205 N -0.91 0.00 -2.26 2.12 -2.24 0.17 -4.93 114.28 106.22 2wh0 n THR 205 Ca 0.04 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 2wh0 n THR 205 Cb 0.02 1.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 2wh0 n THR 205 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wh0 s LEU 206 N -1.93 4.33 0.00 3.22 1.43 -0.20 -5.02 118.68 120.51 2wh0 s LEU 206 Ca 0.25 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 2wh0 s LEU 206 Cb 0.18 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.86 2wh0 s LEU 206 CO 0.32 -0.66 0.10 -1.20 0.23 0.00 0.00 176.35 175.14 2wh0 n SER 207 N 4.94 -0.69 0.16 2.29 7.64 -1.26 -4.90 113.62 121.80 2wh0 n SER 207 Ca 0.12 -0.74 0.12 0.00 1.01 0.00 0.00 58.87 59.38 2wh0 n SER 207 Cb 0.44 -0.09 0.11 0.00 -1.01 0.00 0.00 64.21 63.66 2wh0 n SER 207 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wh0 h GLU 208 N 0.00 0.00 0.00 1.43 4.81 -2.03 -3.30 114.58 115.50 2wh0 h GLU 208 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wh0 h GLU 208 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2wh0 h GLU 208 CO 0.02 0.00 -0.48 0.39 -0.73 0.00 0.00 179.01 178.22 2wh0 n GLU 209 N -2.85 0.24 0.00 1.92 1.02 -1.26 -4.35 120.64 115.36 2wh0 n GLU 209 Ca 0.02 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2wh0 n GLU 209 Cb 0.53 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2wh0 n GLU 209 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wh0 n SER 210 N -2.05 0.84 0.04 1.62 3.41 -1.25 -4.83 113.62 111.41 2wh0 n SER 210 Ca 0.04 -0.94 -0.13 0.00 -0.26 0.00 0.00 58.87 57.59 2wh0 n SER 210 Cb 0.42 0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 2wh0 n SER 210 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2wh0 h TYR 211 N 0.00 -0.07 -0.15 7.33 3.20 -1.76 -1.46 116.97 124.06 2wh0 h TYR 211 Ca 0.00 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 2wh0 h TYR 211 Cb 0.02 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2wh0 h TYR 211 CO 0.00 0.22 -0.56 0.87 -1.64 0.00 0.00 178.16 177.04 2wh0 h LYS 212 N -0.35 0.46 0.18 1.82 6.56 -1.89 0.44 116.57 123.78 2wh0 h LYS 212 Ca -0.01 -0.29 -0.01 0.00 -1.06 0.00 0.00 60.65 59.28 2wh0 h LYS 212 Cb 0.31 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2wh0 h LYS 212 CO 0.01 0.90 -0.08 -0.44 -2.06 0.00 0.00 179.45 177.77 2wh0 h ASP 213 N 0.35 -0.20 0.03 0.86 3.45 -1.88 -0.33 116.42 118.71 2wh0 h ASP 213 Ca 0.00 -0.31 -0.00 0.00 0.43 0.00 0.00 57.03 57.15 2wh0 h ASP 213 Cb 1.09 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2wh0 h ASP 213 CO 0.10 0.26 -0.01 0.28 -1.57 0.00 0.00 179.24 178.29 2wh0 h SER 214 N -0.71 -0.03 0.59 6.45 0.02 -1.30 -1.99 113.55 116.58 2wh0 h SER 214 Ca -0.02 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2wh0 h SER 214 Cb 0.50 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2wh0 h SER 214 CO 0.04 -0.01 -0.21 0.71 -1.14 0.00 0.00 176.83 176.22 2wh0 h THR 215 N -0.05 0.68 0.69 -2.27 1.35 -0.98 0.80 112.91 113.14 2wh0 h THR 215 Ca -0.00 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.91 2wh0 h THR 215 Cb 0.04 1.58 0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2wh0 h THR 215 CO 0.01 0.21 -0.33 0.25 -0.25 0.00 0.00 175.52 175.40 2wh0 h LEU 216 N 0.00 -0.79 -0.96 3.87 6.46 -0.81 -1.95 115.31 121.14 2wh0 h LEU 216 Ca -0.00 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2wh0 h LEU 216 Cb 0.56 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.64 2wh0 h LEU 216 CO 0.03 -0.43 0.63 0.40 -0.62 0.00 0.00 178.44 178.45 2wh0 h ILE 217 N -1.17 1.20 -0.25 4.05 2.04 -1.21 0.14 117.51 122.30 2wh0 h ILE 217 Ca -0.09 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.41 2wh0 h ILE 217 Cb 0.74 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2wh0 h ILE 217 CO 0.16 0.23 0.19 0.24 0.00 0.00 0.00 178.15 178.96 2wh0 h MET 218 N 1.24 0.00 0.00 2.37 2.86 -0.89 0.30 114.93 120.82 2wh0 h MET 218 Ca 0.37 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.83 2wh0 h MET 218 Cb -0.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2wh0 h MET 218 CO -0.10 0.00 -0.86 0.37 1.06 0.00 0.00 176.91 177.38 2wh0 h GLN 219 N 0.00 0.00 0.00 1.72 5.75 0.00 -2.85 115.11 119.73 2wh0 h GLN 219 Ca 0.12 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 2wh0 h GLN 219 Cb 0.50 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 2wh0 h GLN 219 CO -0.00 0.77 -0.57 -0.07 -2.65 0.00 0.00 178.83 176.31 2wh0 h LEU 220 N 0.00 0.00 -0.01 -2.39 3.38 0.98 -2.80 115.31 114.47 2wh0 h LEU 220 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wh0 h LEU 220 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2wh0 h LEU 220 CO 0.10 0.57 -0.07 -0.07 0.09 0.00 0.00 178.44 179.06 2wh0 h LEU 221 N 0.00 0.07 -1.24 1.67 3.38 -0.52 -2.76 115.31 115.91 2wh0 h LEU 221 Ca -0.01 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 2wh0 h LEU 221 Cb 1.17 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2wh0 h LEU 221 CO 0.07 0.77 -0.01 0.08 0.09 0.00 0.00 178.44 179.45 2wh0 h ARG 222 N -0.62 0.51 -0.26 1.13 0.11 -1.59 -0.70 114.38 112.95 2wh0 h ARG 222 Ca -0.01 -0.11 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 2wh0 h ARG 222 Cb 0.77 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2wh0 h ARG 222 CO 0.01 0.54 0.11 -0.44 0.10 0.00 0.00 179.97 180.29 2wh0 h ASP 223 N 0.49 0.35 -0.44 0.08 3.32 -1.57 -0.96 116.42 117.68 2wh0 h ASP 223 Ca 0.10 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2wh0 h ASP 223 Cb 0.33 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2wh0 h ASP 223 CO 0.01 0.41 0.14 0.78 -1.72 0.00 0.00 179.24 178.86 2wh0 h ASN 224 N 0.27 0.70 -0.53 6.45 2.35 -1.16 -0.98 115.58 122.68 2wh0 h ASN 224 Ca 0.09 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2wh0 h ASN 224 Cb 0.16 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2wh0 h ASN 224 CO -0.01 0.68 0.23 -0.07 -1.65 0.00 0.00 177.43 176.61 2wh0 h LEU 225 N 0.74 0.75 0.38 1.61 3.38 -0.68 -0.75 115.31 120.74 2wh0 h LEU 225 Ca 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2wh0 h LEU 225 Cb 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wh0 h LEU 225 CO -0.01 0.68 -0.18 0.74 0.09 0.00 0.00 178.44 179.76 2wh0 h THR 226 N 0.82 0.53 -0.99 0.22 2.02 -0.58 -3.12 112.91 111.82 2wh0 h THR 226 Ca 0.20 -0.56 0.25 0.00 0.77 0.00 0.00 66.41 67.07 2wh0 h THR 226 Cb 0.16 0.77 -0.13 0.00 -1.74 0.00 0.00 68.15 67.21 2wh0 h THR 226 CO -0.02 0.09 0.56 0.25 0.37 0.00 0.00 175.52 176.77 2wh0 h LEU 227 N -0.87 0.59 -1.17 2.58 5.85 -1.07 -3.52 115.31 117.71 2wh0 h LEU 227 Ca -0.05 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wh0 h LEU 227 Cb 0.54 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2wh0 h LEU 227 CO 0.09 0.04 0.00 0.79 -0.34 0.00 0.00 178.44 179.02