#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwz s ILE 2 N 0.00 2.20 -0.24 1.12 1.01 -0.42 -2.01 121.20 122.86 1rwz s ILE 2 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1rwz s ILE 2 Cb 0.00 -1.85 0.12 0.00 0.01 0.00 0.00 42.46 40.75 1rwz s ILE 2 CO 0.00 0.56 0.31 -0.62 0.00 0.00 0.00 174.94 175.18 1rwz s ASP 3 N 0.30 0.94 0.12 3.58 2.15 -0.05 -1.29 116.67 122.41 1rwz s ASP 3 Ca -0.17 -0.16 0.06 0.00 0.43 0.00 0.00 52.55 52.70 1rwz s ASP 3 Cb -0.17 0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1rwz s ASP 3 CO 0.08 -0.33 -0.13 0.68 -0.17 0.00 0.00 175.17 175.30 1rwz s VAL 4 N 2.43 1.27 -0.06 1.11 -7.23 -0.55 -1.27 120.40 116.10 1rwz s VAL 4 Ca 0.10 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1rwz s VAL 4 Cb -0.15 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.30 1rwz s VAL 4 CO -0.19 -0.44 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.42 1rwz s ILE 5 N -2.20 1.03 0.11 -0.62 1.01 0.13 -0.49 121.20 120.16 1rwz s ILE 5 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 1rwz s ILE 5 Cb -0.04 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1rwz s ILE 5 CO 0.03 0.33 0.06 0.00 0.00 0.00 0.00 174.94 175.36 1rwz s MET 6 N 0.70 0.85 0.55 2.79 0.23 0.03 -0.44 119.30 124.01 1rwz s MET 6 Ca -0.14 -1.32 -0.18 0.00 -1.03 0.00 0.00 55.69 53.02 1rwz s MET 6 Cb -0.16 0.25 -0.05 0.00 -1.53 0.00 0.00 34.83 33.34 1rwz s MET 6 CO 0.03 -0.23 1.08 0.95 -2.03 0.00 0.00 175.02 174.82 1rwz s THR 7 N -3.99 3.54 0.24 3.16 -4.23 -1.26 -0.22 115.64 112.87 1rwz s THR 7 Ca 0.17 0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 61.49 1rwz s THR 7 Cb 0.07 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.79 1rwz s THR 7 CO -0.03 -0.30 1.88 1.23 -0.54 0.00 0.00 174.62 176.87 1rwz h GLY 8 N 0.98 1.31 1.19 3.99 0.00 -0.35 -1.88 103.07 108.31 1rwz h GLY 8 Ca -0.49 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 1rwz h GLY 8 CO 0.57 0.36 0.48 -2.09 0.00 0.00 0.00 176.54 175.86 1rwz h GLU 9 N 1.10 1.08 -0.23 4.80 4.81 -1.66 0.21 114.58 124.69 1rwz h GLU 9 Ca 0.36 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1rwz h GLU 9 Cb 0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1rwz h GLU 9 CO -0.13 0.75 0.09 1.25 -0.73 0.00 0.00 179.01 180.25 1rwz h LEU 10 N 1.09 0.32 -0.35 1.64 5.85 -1.67 -0.59 115.31 121.60 1rwz h LEU 10 Ca 0.29 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1rwz h LEU 10 Cb -0.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1rwz h LEU 10 CO -0.05 0.40 0.03 0.25 -0.34 0.00 0.00 178.44 178.72 1rwz h LEU 11 N 0.22 0.58 -0.50 2.25 5.85 -1.05 -2.38 115.31 120.28 1rwz h LEU 11 Ca 0.08 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1rwz h LEU 11 Cb 0.18 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1rwz h LEU 11 CO -0.01 0.72 0.28 0.11 -0.34 0.00 0.00 178.44 179.20 1rwz h LYS 12 N 0.42 0.69 -0.28 1.25 1.57 -0.86 -0.93 116.57 118.43 1rwz h LYS 12 Ca 0.10 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1rwz h LYS 12 Cb 0.41 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1rwz h LYS 12 CO 0.01 0.54 -0.07 1.15 -0.57 0.00 0.00 179.45 180.50 1rwz h THR 13 N 0.66 1.28 -0.19 -0.16 2.02 -1.09 -1.01 112.91 114.42 1rwz h THR 13 Ca 0.18 -1.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.12 1rwz h THR 13 Cb 0.04 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1rwz h THR 13 CO -0.03 0.35 -0.45 0.58 0.37 0.00 0.00 175.52 176.34 1rwz h VAL 14 N 0.30 1.31 -0.33 3.16 2.07 -1.39 -1.03 116.25 120.33 1rwz h VAL 14 Ca 0.07 -1.64 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1rwz h VAL 14 Cb 0.56 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1rwz h VAL 14 CO 0.03 0.51 0.02 0.74 0.02 0.00 0.00 177.57 178.89 1rwz h THR 15 N 0.39 1.25 -0.64 2.57 2.02 -1.12 -2.29 112.91 115.08 1rwz h THR 15 Ca 0.03 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1rwz h THR 15 Cb 0.95 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1rwz h THR 15 CO 0.08 0.30 0.22 -0.09 0.37 0.00 0.00 175.52 176.40 1rwz h ARG 16 N 0.39 0.97 -0.61 6.66 2.43 -1.01 -1.10 114.38 122.11 1rwz h ARG 16 Ca 0.10 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1rwz h ARG 16 Cb 0.41 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1rwz h ARG 16 CO 0.01 0.82 0.16 0.00 -1.51 0.00 0.00 179.97 179.45 1rwz h ALA 17 N 1.30 1.13 0.06 2.80 0.00 -0.97 -2.57 119.26 121.01 1rwz h ALA 17 Ca 0.21 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1rwz h ALA 17 Cb 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rwz h ALA 17 CO -0.01 0.59 -0.55 0.82 0.00 0.00 0.00 179.25 180.09 1rwz h ILE 18 N 0.90 1.54 0.00 0.00 2.04 -1.13 -3.28 117.51 117.58 1rwz h ILE 18 Ca 0.20 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1rwz h ILE 18 Cb 0.31 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1rwz h ILE 18 CO -0.00 0.64 0.00 1.62 0.00 0.00 0.00 178.15 180.41 1rwz h VAL 19 N -0.42 0.00 0.00 1.67 3.04 -1.21 -1.36 116.25 117.97 1rwz h VAL 19 Ca -0.09 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.43 1rwz h VAL 19 Cb 1.37 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1rwz h VAL 19 CO 0.11 0.00 -0.06 0.00 -1.01 0.00 0.00 177.57 176.61 1rwz h ALA 20 N 2.09 1.77 0.00 3.17 0.00 -1.52 -3.29 119.26 121.49 1rwz h ALA 20 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1rwz h ALA 20 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1rwz h ALA 20 CO 0.00 0.07 -1.80 1.28 0.00 0.00 0.00 179.25 178.81 1rwz n LEU 21 N -4.28 2.39 -4.18 0.00 4.77 -0.57 -5.08 117.00 110.05 1rwz n LEU 21 Ca -0.03 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1rwz n LEU 21 Cb 0.14 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 1rwz n LEU 21 CO 0.33 0.65 -0.39 0.68 -1.33 0.00 0.00 177.39 177.32 1rwz s VAL 22 N -2.28 0.81 -0.82 4.08 -7.23 -0.83 -4.32 120.40 109.81 1rwz s VAL 22 Ca -0.16 -1.88 0.22 0.00 -1.81 0.00 0.00 61.98 58.35 1rwz s VAL 22 Cb 0.05 -1.61 -0.21 0.00 0.56 0.00 0.00 36.38 35.17 1rwz s VAL 22 CO 0.35 -0.78 0.91 -1.54 -0.31 0.00 0.00 175.10 173.73 1rwz n SER 23 N 0.09 0.77 -4.01 4.85 3.41 -1.26 -3.93 113.62 113.53 1rwz n SER 23 Ca -0.13 -0.69 -0.09 0.00 -0.26 0.00 0.00 58.87 57.70 1rwz n SER 23 Cb 0.60 1.03 -0.11 0.00 -0.26 0.00 0.00 64.21 65.47 1rwz n SER 23 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1rwz s GLU 24 N -3.09 0.39 0.01 4.33 2.02 -1.26 -0.21 118.70 120.88 1rwz s GLU 24 Ca 0.06 -0.72 -0.28 0.00 0.02 0.00 0.00 54.97 54.05 1rwz s GLU 24 Cb 0.16 0.06 0.08 0.00 0.10 0.00 0.00 34.13 34.52 1rwz s GLU 24 CO 0.85 -0.04 0.71 0.00 0.02 0.00 0.00 175.26 176.80 1rwz s ALA 25 N -1.79 -1.74 -0.12 5.21 0.00 -0.67 -4.87 121.76 117.79 1rwz s ALA 25 Ca -0.12 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.71 1rwz s ALA 25 Cb -0.08 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1rwz s ALA 25 CO -0.02 -0.52 0.53 1.03 0.00 0.00 0.00 175.76 176.79 1rwz s ARG 26 N -2.16 4.35 -0.20 0.00 0.52 -1.26 -0.97 118.95 119.22 1rwz s ARG 26 Ca -0.05 0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 55.68 1rwz s ARG 26 Cb -0.00 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 1rwz s ARG 26 CO 0.00 0.10 -0.09 0.42 0.02 0.00 0.00 175.30 175.76 1rwz s ILE 27 N 0.78 3.09 -0.23 1.52 -1.09 0.35 -4.41 121.20 121.20 1rwz s ILE 27 Ca 0.28 -0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 58.01 1rwz s ILE 27 Cb -0.16 -2.37 -0.05 0.00 -1.58 0.00 0.00 42.46 38.31 1rwz s ILE 27 CO 0.12 0.46 0.13 -1.00 -1.23 0.00 0.00 174.94 173.42 1rwz s HIS 28 N 1.23 3.28 -0.52 3.97 3.76 0.18 -1.12 115.29 126.06 1rwz s HIS 28 Ca 0.03 0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 54.93 1rwz s HIS 28 Cb -0.14 -2.23 0.13 0.00 1.11 0.00 0.00 32.58 31.45 1rwz s HIS 28 CO -0.03 0.04 0.44 -0.06 -0.85 0.00 0.00 174.74 174.27 1rwz s PHE 29 N 0.99 3.33 0.35 1.40 0.40 0.95 -1.11 117.98 124.29 1rwz s PHE 29 Ca 0.06 -1.55 0.07 0.00 -0.60 0.00 0.00 56.93 54.91 1rwz s PHE 29 Cb -0.13 -3.68 -0.01 0.00 0.51 0.00 0.00 43.02 39.71 1rwz s PHE 29 CO 0.04 -1.01 0.48 -0.51 0.70 0.00 0.00 175.22 174.92 1rwz s LEU 30 N 1.46 3.92 0.37 -0.37 1.43 0.12 -1.70 118.68 123.91 1rwz s LEU 30 Ca 0.05 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1rwz s LEU 30 Cb -0.28 -2.73 0.76 0.00 0.03 0.00 0.00 46.19 43.97 1rwz s LEU 30 CO 0.01 -0.48 1.98 -0.33 0.23 0.00 0.00 176.35 177.76 1rwz h GLU 31 N 0.86 0.70 0.00 1.70 4.39 -1.97 -1.53 114.58 118.74 1rwz h GLU 31 Ca -0.45 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1rwz h GLU 31 Cb 1.26 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1rwz h GLU 31 CO 0.52 0.46 -0.11 0.36 -1.16 0.00 0.00 179.01 179.08 1rwz n LYS 32 N -4.47 0.18 -0.71 2.33 2.85 -1.26 -4.83 118.16 112.25 1rwz n LYS 32 Ca 0.09 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1rwz n LYS 32 Cb 0.20 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1rwz n LYS 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rwz n GLY 33 N 1.38 0.60 3.79 2.58 0.00 -0.58 -0.75 105.19 112.22 1rwz n GLY 33 Ca 0.06 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1rwz n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rwz s LEU 34 N 0.00 4.50 0.00 0.99 0.20 0.01 -0.70 118.68 123.68 1rwz s LEU 34 Ca 0.00 1.26 0.01 0.00 0.69 0.00 0.00 54.13 56.08 1rwz s LEU 34 Cb 0.00 -2.93 -0.00 0.00 -0.43 0.00 0.00 46.19 42.82 1rwz s LEU 34 CO 0.00 0.21 -0.02 -2.28 -0.29 0.00 0.00 176.35 173.97 1rwz s HIS 35 N -0.81 0.20 -0.24 5.38 5.65 -0.27 -0.73 115.29 124.49 1rwz s HIS 35 Ca 0.30 -0.10 -0.19 0.00 0.25 0.00 0.00 55.06 55.32 1rwz s HIS 35 Cb -0.19 -0.13 0.06 0.00 -1.18 0.00 0.00 32.58 31.14 1rwz s HIS 35 CO 0.19 -0.02 0.61 0.45 -0.65 0.00 0.00 174.74 175.31 1rwz s SER 36 N -0.26 -0.70 0.02 9.88 0.15 -0.49 -0.65 113.70 121.66 1rwz s SER 36 Ca -0.01 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1rwz s SER 36 Cb -0.02 1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 65.51 1rwz s SER 36 CO -0.00 -0.22 -0.03 0.00 1.20 0.00 0.00 173.24 174.19 1rwz s ARG 37 N 0.76 0.29 -0.04 5.44 1.70 -1.26 0.31 118.95 126.15 1rwz s ARG 37 Ca -0.03 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 1rwz s ARG 37 Cb -0.05 0.00 0.08 0.00 -0.57 0.00 0.00 34.95 34.42 1rwz s ARG 37 CO -0.06 -0.02 0.75 0.00 -1.08 0.00 0.00 175.30 174.89 1rwz s ALA 38 N -1.11 -1.78 0.04 7.88 0.00 -0.48 -4.74 121.76 121.57 1rwz s ALA 38 Ca -0.11 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.13 1rwz s ALA 38 Cb -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1rwz s ALA 38 CO -0.01 -0.45 -0.17 0.08 0.00 0.00 0.00 175.76 175.21 1rwz s VAL 39 N -1.73 2.84 0.88 0.00 1.01 -1.26 -0.48 120.40 121.65 1rwz s VAL 39 Ca -0.06 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1rwz s VAL 39 Cb -0.00 -2.20 0.12 0.00 0.00 0.00 0.00 36.38 34.30 1rwz s VAL 39 CO 0.03 0.34 1.11 1.51 0.00 0.00 0.00 175.10 178.09 1rwz s ASP 40 N -1.44 3.75 0.28 3.32 3.84 -0.40 -4.82 116.67 121.20 1rwz s ASP 40 Ca 0.15 1.18 0.01 0.00 -0.00 0.00 0.00 52.55 53.88 1rwz s ASP 40 Cb -0.11 -1.83 0.57 0.00 -1.38 0.00 0.00 42.92 40.18 1rwz s ASP 40 CO 0.05 -2.43 1.79 -0.65 -0.00 0.00 0.00 175.17 173.94 1rwz h PRO 41 N -1.41 0.78 0.00 2.11 0.11 -1.92 -1.11 132.00 130.56 1rwz h PRO 41 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1rwz h PRO 41 Cb 1.30 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1rwz h PRO 41 CO 0.60 0.51 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 1rwz n ALA 42 N -2.37 2.37 -3.50 -0.75 0.00 -1.26 -4.91 120.51 110.09 1rwz n ALA 42 Ca 0.19 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 1rwz n ALA 42 Cb 0.42 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.48 1rwz n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rwz n ASN 43 N -1.30 -5.96 -0.04 0.00 3.02 -0.42 -4.88 115.26 105.68 1rwz n ASN 43 Ca 0.13 -0.51 -0.01 0.00 -0.03 0.00 0.00 54.58 54.15 1rwz n ASN 43 Cb 0.23 -4.73 -0.11 0.00 -0.61 0.00 0.00 39.78 34.55 1rwz n ASN 43 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1rwz n VAL 44 N -4.79 0.59 -4.01 2.41 0.31 -1.26 -4.93 118.33 106.65 1rwz n VAL 44 Ca -0.02 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.72 1rwz n VAL 44 Cb 0.57 -0.32 -0.11 0.00 -0.91 0.00 0.00 33.84 33.07 1rwz n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rwz s ALA 45 N -2.63 0.25 0.09 3.52 0.00 -1.26 -0.94 121.76 120.79 1rwz s ALA 45 Ca -0.06 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1rwz s ALA 45 Cb 0.06 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1rwz s ALA 45 CO 0.60 -0.18 -0.13 1.41 0.00 0.00 0.00 175.76 177.47 1rwz s MET 46 N -1.88 0.85 -0.02 0.00 1.75 -0.30 -1.27 119.30 118.43 1rwz s MET 46 Ca -0.11 -1.06 0.04 0.00 -1.25 0.00 0.00 55.69 53.30 1rwz s MET 46 Cb -0.07 -0.73 -0.00 0.00 2.84 0.00 0.00 34.83 36.87 1rwz s MET 46 CO -0.02 0.14 -0.13 0.54 -0.65 0.00 0.00 175.02 174.90 1rwz s VAL 47 N -1.80 1.05 -0.13 10.11 0.11 0.36 -1.07 120.40 129.03 1rwz s VAL 47 Ca 0.02 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1rwz s VAL 47 Cb -0.07 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1rwz s VAL 47 CO 0.02 0.31 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.41 1rwz s ILE 48 N -0.09 0.99 -0.12 7.04 1.01 0.70 -1.38 121.20 129.36 1rwz s ILE 48 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1rwz s ILE 48 Cb -0.08 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1rwz s ILE 48 CO 0.00 0.25 -0.10 -0.69 0.00 0.00 0.00 174.94 174.41 1rwz s VAL 49 N 1.70 3.38 -0.06 2.92 1.01 0.15 -0.81 120.40 128.69 1rwz s VAL 49 Ca 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1rwz s VAL 49 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1rwz s VAL 49 CO -0.08 0.53 -0.01 -1.81 0.00 0.00 0.00 175.10 173.74 1rwz s ASP 50 N 0.07 1.35 -0.33 3.32 1.11 -0.32 -1.39 116.67 120.48 1rwz s ASP 50 Ca -0.03 -0.09 0.03 0.00 0.18 0.00 0.00 52.55 52.64 1rwz s ASP 50 Cb -0.14 -0.43 0.10 0.00 1.07 0.00 0.00 42.92 43.52 1rwz s ASP 50 CO 0.04 -0.15 0.04 -0.63 1.18 0.00 0.00 175.17 175.64 1rwz s ILE 51 N 1.65 2.08 0.56 0.77 1.01 0.09 -1.24 121.20 126.13 1rwz s ILE 51 Ca 0.00 -2.15 -0.20 0.00 0.00 0.00 0.00 60.65 58.29 1rwz s ILE 51 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1rwz s ILE 51 CO -0.04 -0.55 1.16 -2.65 0.00 0.00 0.00 174.94 172.86 1rwz n PRO 52 N 4.35 1.29 -0.21 2.79 -0.02 -1.26 -0.80 135.00 141.13 1rwz n PRO 52 Ca 0.01 0.48 0.18 0.00 -2.02 0.00 0.00 63.50 62.16 1rwz n PRO 52 Cb 0.42 -2.36 0.51 0.00 -0.02 0.00 0.00 33.50 32.06 1rwz n PRO 52 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1rwz h LYS 53 N 0.99 0.39 0.00 -0.52 2.10 -1.26 0.38 116.57 118.64 1rwz h LYS 53 Ca -0.49 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1rwz h LYS 53 Cb 1.33 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1rwz h LYS 53 CO 0.54 0.26 0.00 -0.25 -2.00 0.00 0.00 179.45 178.00 1rwz n ASP 54 N -4.49 0.00 0.03 7.07 8.00 -1.26 -2.02 116.55 123.88 1rwz n ASP 54 Ca 0.17 0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.93 1rwz n ASP 54 Cb 0.64 -0.33 0.32 0.00 -0.02 0.00 0.00 41.12 41.73 1rwz n ASP 54 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rwz n SER 55 N -1.33 0.48 -4.89 -2.24 7.64 0.12 -4.85 113.62 108.55 1rwz n SER 55 Ca 0.07 0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.77 1rwz n SER 55 Cb 0.15 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1rwz n SER 55 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1rwz s PHE 56 N -3.06 3.48 0.06 1.43 0.08 -0.86 -4.85 117.98 114.26 1rwz s PHE 56 Ca 0.10 0.80 -0.12 0.00 0.12 0.00 0.00 56.93 57.84 1rwz s PHE 56 Cb 0.16 -2.25 -0.29 0.00 -0.57 0.00 0.00 43.02 40.07 1rwz s PHE 56 CO 0.66 0.01 1.10 0.93 -0.10 0.00 0.00 175.22 177.82 1rwz h GLU 57 N 1.32 0.51 -3.70 0.44 4.39 -1.05 -3.45 114.58 113.04 1rwz h GLU 57 Ca -0.47 -0.75 -0.28 0.00 0.34 0.00 0.00 59.36 58.19 1rwz h GLU 57 Cb 1.19 0.26 -0.31 0.00 -0.10 0.00 0.00 28.75 29.79 1rwz h GLU 57 CO 0.64 1.34 -0.73 0.08 -1.16 0.00 0.00 179.01 179.19 1rwz s VAL 58 N -2.84 0.04 -0.34 3.13 1.01 -1.08 -4.96 120.40 115.37 1rwz s VAL 58 Ca -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1rwz s VAL 58 Cb 0.06 -0.10 0.13 0.00 0.00 0.00 0.00 36.38 36.47 1rwz s VAL 58 CO 0.92 0.06 0.21 -0.47 0.00 0.00 0.00 175.10 175.82 1rwz s TYR 59 N 0.51 0.47 -0.27 5.22 5.04 -1.26 -0.70 117.35 126.36 1rwz s TYR 59 Ca -0.04 -1.31 0.02 0.00 -2.44 0.00 0.00 57.07 53.30 1rwz s TYR 59 Cb -0.07 -0.84 0.06 0.00 0.35 0.00 0.00 41.96 41.47 1rwz s TYR 59 CO -0.01 -0.85 -0.09 -0.80 -1.34 0.00 0.00 175.55 172.46 1rwz s ASN 60 N 1.41 4.51 0.08 4.32 0.01 -0.39 -5.02 114.94 119.85 1rwz s ASN 60 Ca 0.15 -1.40 0.07 0.00 -0.71 0.00 0.00 52.86 50.97 1rwz s ASN 60 Cb -0.20 -1.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 1rwz s ASN 60 CO -0.10 -0.20 -0.17 0.27 -1.51 0.00 0.00 177.10 175.38 1rwz s ILE 61 N 1.12 1.40 0.00 0.60 -4.36 -1.26 -0.87 121.20 117.82 1rwz s ILE 61 Ca -0.08 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1rwz s ILE 61 Cb -0.20 -1.29 0.00 0.00 1.25 0.00 0.00 42.46 42.22 1rwz s ILE 61 CO -0.05 -0.08 0.00 0.47 0.24 0.00 0.00 174.94 175.52 1rwz n ASP 62 N 1.35 0.00 -4.70 4.36 10.43 -0.85 -4.97 116.55 122.17 1rwz n ASP 62 Ca -0.20 0.10 -0.23 0.00 2.57 0.00 0.00 54.79 57.04 1rwz n ASP 62 Cb 0.54 -0.12 -0.06 0.00 1.84 0.00 0.00 41.12 43.31 1rwz n ASP 62 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1rwz s GLU 63 N -0.24 2.42 0.23 -1.24 1.03 -1.26 -5.03 118.70 114.61 1rwz s GLU 63 Ca 0.00 -1.39 -0.30 0.00 0.03 0.00 0.00 54.97 53.30 1rwz s GLU 63 Cb 0.00 -2.23 -0.10 0.00 -0.80 0.00 0.00 34.13 31.00 1rwz s GLU 63 CO 0.00 0.30 1.46 -1.21 -1.33 0.00 0.00 175.26 174.48 1rwz s GLU 64 N -3.75 4.26 0.03 -4.83 2.02 -1.26 -4.94 118.70 110.23 1rwz s GLU 64 Ca 0.33 2.30 0.02 0.00 0.02 0.00 0.00 54.97 57.64 1rwz s GLU 64 Cb -0.06 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 1rwz s GLU 64 CO 0.21 -0.45 -0.07 0.21 0.02 0.00 0.00 175.26 175.19 1rwz s LYS 65 N -0.05 0.49 -0.11 1.61 2.20 -0.69 -4.99 119.74 118.20 1rwz s LYS 65 Ca 0.61 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1rwz s LYS 65 Cb -0.42 -0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 35.58 1rwz s LYS 65 CO 0.41 0.06 -0.16 0.99 -0.36 0.00 0.00 175.35 176.29 1rwz s THR 66 N -1.02 2.79 0.16 3.43 2.01 -1.26 -0.03 115.64 121.71 1rwz s THR 66 Ca -0.07 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1rwz s THR 66 Cb -0.08 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1rwz s THR 66 CO 0.00 0.54 -0.18 0.27 -0.69 0.00 0.00 174.62 174.56 1rwz s ILE 67 N 0.23 1.81 -0.21 1.82 -4.36 -0.28 -4.93 121.20 115.29 1rwz s ILE 67 Ca -0.11 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.30 1rwz s ILE 67 Cb -0.16 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1rwz s ILE 67 CO 0.06 -0.30 0.09 -0.83 0.24 0.00 0.00 174.94 174.20 1rwz s GLY 68 N -2.63 1.92 -0.02 6.27 0.00 -1.11 -0.50 107.32 111.24 1rwz s GLY 68 Ca 0.15 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.10 1rwz s GLY 68 CO 0.06 0.22 -0.19 0.14 0.00 0.00 0.00 173.10 173.33 1rwz s VAL 69 N 0.72 1.51 -0.69 1.40 1.01 -0.14 -0.31 120.40 123.90 1rwz s VAL 69 Ca 0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 1rwz s VAL 69 Cb -0.13 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1rwz s VAL 69 CO 0.02 0.43 1.21 -0.62 0.00 0.00 0.00 175.10 176.14 1rwz s ASP 70 N -0.29 6.24 0.38 3.32 -1.08 -1.26 -1.67 116.67 122.29 1rwz s ASP 70 Ca 0.04 -0.37 0.12 0.00 -0.52 0.00 0.00 52.55 51.82 1rwz s ASP 70 Cb -0.09 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.57 1rwz s ASP 70 CO 0.00 -1.69 1.84 0.24 0.52 0.00 0.00 175.17 176.08 1rwz h MET 71 N 9.84 0.02 -0.71 4.34 2.86 -0.91 -2.64 114.93 127.73 1rwz h MET 71 Ca -0.27 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1rwz h MET 71 Cb 1.05 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1rwz h MET 71 CO 1.24 0.37 0.31 -0.44 1.06 0.00 0.00 176.91 179.44 1rwz h ASP 72 N 0.02 0.95 0.01 1.22 3.32 -1.83 -0.84 116.42 119.27 1rwz h ASP 72 Ca -0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1rwz h ASP 72 Cb 0.62 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1rwz h ASP 72 CO 0.05 0.85 -0.00 0.03 -1.72 0.00 0.00 179.24 178.44 1rwz h ARG 73 N 1.00 -0.01 -0.78 3.56 3.08 -1.82 -0.70 114.38 118.70 1rwz h ARG 73 Ca 0.24 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1rwz h ARG 73 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1rwz h ARG 73 CO -0.02 0.30 0.52 0.82 -1.07 0.00 0.00 179.97 180.52 1rwz h ILE 74 N -0.32 1.18 -0.42 2.04 1.08 -1.42 0.62 117.51 120.28 1rwz h ILE 74 Ca -0.00 -0.36 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 1rwz h ILE 74 Cb 0.31 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 1rwz h ILE 74 CO 0.00 0.19 0.04 0.15 -0.69 0.00 0.00 178.15 177.85 1rwz h PHE 75 N 1.04 0.77 -0.21 1.37 3.57 -1.03 0.21 116.94 122.66 1rwz h PHE 75 Ca 0.29 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1rwz h PHE 75 Cb -0.08 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1rwz h PHE 75 CO -0.00 0.75 0.12 0.22 -2.23 0.00 0.00 178.31 177.17 1rwz h ASP 76 N 0.56 0.26 -0.27 0.41 3.58 -0.25 -2.64 116.42 118.08 1rwz h ASP 76 Ca 0.13 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 1rwz h ASP 76 Cb 0.41 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1rwz h ASP 76 CO 0.01 0.26 -0.04 0.40 -2.88 0.00 0.00 179.24 176.99 1rwz h ILE 77 N 0.24 1.23 0.00 2.25 1.08 -0.76 -2.48 117.51 119.07 1rwz h ILE 77 Ca 0.08 -0.95 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1rwz h ILE 77 Cb 0.05 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1rwz h ILE 77 CO -0.01 0.32 -0.01 0.77 -0.69 0.00 0.00 178.15 178.53 1rwz h SER 78 N 0.58 0.00 0.99 1.72 4.64 -0.22 -1.30 113.55 119.96 1rwz h SER 78 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rwz h SER 78 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1rwz h SER 78 CO 0.02 0.01 0.00 0.11 -0.87 0.00 0.00 176.83 176.10 1rwz h LYS 79 N 0.00 0.00 -0.02 4.77 1.57 -1.24 -1.83 116.57 119.83 1rwz h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rwz h LYS 79 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1rwz h LYS 79 CO 0.00 0.00 -0.15 -1.13 -0.57 0.00 0.00 179.45 177.61 1rwz n SER 80 N -2.99 1.78 -4.84 0.86 3.41 -0.49 -4.86 113.62 106.49 1rwz n SER 80 Ca 0.01 -1.45 -0.37 0.00 -0.26 0.00 0.00 58.87 56.80 1rwz n SER 80 Cb 0.30 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1rwz n SER 80 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rwz s ILE 81 N -2.21 5.30 0.27 -1.33 1.01 -0.69 -5.09 121.20 118.46 1rwz s ILE 81 Ca 0.29 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.29 1rwz s ILE 81 Cb 0.20 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 1rwz s ILE 81 CO 0.41 0.57 0.68 -0.55 0.00 0.00 0.00 174.94 176.06 1rwz s SER 82 N -0.82 6.79 0.57 3.58 0.15 -1.26 -4.95 113.70 117.75 1rwz s SER 82 Ca 0.18 1.21 0.30 0.00 0.70 0.00 0.00 55.95 58.35 1rwz s SER 82 Cb -0.14 -2.34 1.70 0.00 -1.71 0.00 0.00 66.02 63.53 1rwz s SER 82 CO 0.07 -0.12 2.18 0.71 1.20 0.00 0.00 173.24 177.29 1rwz h THR 83 N 2.17 0.49 -0.02 6.45 1.35 -1.95 -1.56 112.91 119.83 1rwz h THR 83 Ca -0.48 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1rwz h THR 83 Cb 1.18 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1rwz h THR 83 CO 0.66 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 176.27 1rwz n LYS 84 N -3.68 1.90 -2.57 4.72 5.02 -1.26 -2.37 118.16 119.93 1rwz n LYS 84 Ca -0.02 -1.31 -0.32 0.00 -2.02 0.00 0.00 58.31 54.63 1rwz n LYS 84 Cb 0.15 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1rwz n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rwz s ASP 85 N -1.99 6.71 -0.15 4.39 -0.00 -0.59 -4.86 116.67 120.18 1rwz s ASP 85 Ca 0.34 1.57 -0.08 0.00 -0.00 0.00 0.00 52.55 54.39 1rwz s ASP 85 Cb 0.21 -2.50 -0.04 0.00 -0.00 0.00 0.00 42.92 40.58 1rwz s ASP 85 CO 0.32 -0.50 0.12 -0.76 -0.00 0.00 0.00 175.17 174.35 1rwz s LEU 86 N -3.77 4.24 -0.07 1.23 1.43 -1.26 0.13 118.68 120.61 1rwz s LEU 86 Ca 0.59 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1rwz s LEU 86 Cb -0.10 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1rwz s LEU 86 CO 0.26 0.31 -0.23 -0.69 0.23 0.00 0.00 176.35 176.23 1rwz s VAL 87 N -0.46 2.21 -0.13 -1.59 1.01 0.69 -4.38 120.40 117.75 1rwz s VAL 87 Ca 0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1rwz s VAL 87 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1rwz s VAL 87 CO 0.02 0.57 -0.06 -0.70 0.00 0.00 0.00 175.10 174.93 1rwz s GLU 88 N -0.13 3.38 -0.13 2.72 2.12 0.51 -0.79 118.70 126.38 1rwz s GLU 88 Ca -0.04 -0.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 1rwz s GLU 88 Cb -0.14 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 1rwz s GLU 88 CO 0.04 0.36 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.50 1rwz s LEU 89 N 0.02 2.81 -0.03 2.70 1.43 0.35 -0.68 118.68 125.29 1rwz s LEU 89 Ca -0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1rwz s LEU 89 Cb -0.14 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1rwz s LEU 89 CO 0.03 0.17 -0.08 -0.63 0.23 0.00 0.00 176.35 176.07 1rwz s ILE 90 N 0.34 0.73 -0.27 -0.59 1.01 -0.22 -1.48 121.20 120.72 1rwz s ILE 90 Ca -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1rwz s ILE 90 Cb -0.16 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.74 1rwz s ILE 90 CO 0.05 0.23 0.07 -0.69 0.00 0.00 0.00 174.94 174.61 1rwz s VAL 91 N 0.25 0.75 -0.02 2.92 1.01 -0.41 -0.40 120.40 124.49 1rwz s VAL 91 Ca -0.04 -1.08 0.11 0.00 0.00 0.00 0.00 61.98 60.97 1rwz s VAL 91 Cb -0.09 -1.43 -0.23 0.00 0.00 0.00 0.00 36.38 34.63 1rwz s VAL 91 CO 0.00 -0.50 0.75 -0.33 0.00 0.00 0.00 175.10 175.02 1rwz h GLU 92 N 8.15 0.01 0.00 2.72 5.08 -1.83 -1.11 114.58 127.61 1rwz h GLU 92 Ca -0.15 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1rwz h GLU 92 Cb 1.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1rwz h GLU 92 CO 0.42 0.60 0.00 -0.40 -1.00 0.00 0.00 179.01 178.63 1rwz n ASP 93 N -3.11 0.00 0.00 1.42 5.75 -1.26 -4.68 116.55 114.67 1rwz n ASP 93 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1rwz n ASP 93 Cb 1.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 1rwz n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1rwz n GLU 94 N 0.00 0.00 -0.00 0.11 1.02 -1.26 -4.90 120.64 115.61 1rwz n GLU 94 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1rwz n GLU 94 Cb 0.00 -0.14 -0.08 0.00 -0.02 0.00 0.00 31.44 31.20 1rwz n GLU 94 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1rwz n SER 95 N 0.00 1.17 -4.02 1.62 3.41 -1.26 -4.75 113.62 109.79 1rwz n SER 95 Ca 0.00 -0.49 -0.21 0.00 -0.26 0.00 0.00 58.87 57.92 1rwz n SER 95 Cb 0.10 1.22 -0.15 0.00 -0.26 0.00 0.00 64.21 65.11 1rwz n SER 95 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rwz s THR 96 N -2.42 0.86 -0.17 6.66 2.01 -1.26 0.00 115.64 121.32 1rwz s THR 96 Ca 0.01 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1rwz s THR 96 Cb 0.09 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1rwz s THR 96 CO 0.51 0.26 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.38 1rwz s LEU 97 N 0.12 2.80 -0.15 4.42 2.96 -0.37 -4.32 118.68 124.15 1rwz s LEU 97 Ca -0.02 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1rwz s LEU 97 Cb -0.08 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1rwz s LEU 97 CO 0.01 0.10 0.08 -0.54 -1.32 0.00 0.00 176.35 174.67 1rwz s LYS 98 N 0.77 3.70 -0.22 1.98 1.02 0.47 -1.27 119.74 126.19 1rwz s LYS 98 Ca -0.04 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.68 1rwz s LYS 98 Cb -0.15 -3.17 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1rwz s LYS 98 CO 0.01 0.48 -0.10 0.08 -0.92 0.00 0.00 175.35 174.91 1rwz s VAL 99 N -0.21 1.75 -0.09 3.17 1.01 0.10 -1.05 120.40 125.09 1rwz s VAL 99 Ca 0.09 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1rwz s VAL 99 Cb -0.12 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1rwz s VAL 99 CO 0.01 0.08 -0.18 -0.54 0.00 0.00 0.00 175.10 174.47 1rwz s LYS 100 N 1.33 2.89 -0.22 2.72 1.02 0.14 -0.31 119.74 127.31 1rwz s LYS 100 Ca -0.04 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1rwz s LYS 100 Cb -0.17 -2.40 0.07 0.00 -0.52 0.00 0.00 37.83 34.80 1rwz s LYS 100 CO -0.07 0.36 0.68 -0.59 -0.92 0.00 0.00 175.35 174.81 1rwz s PHE 101 N -0.07 -0.72 0.00 3.18 -0.12 -0.69 -0.36 117.98 119.20 1rwz s PHE 101 Ca -0.04 1.68 0.00 0.00 -0.05 0.00 0.00 56.93 58.52 1rwz s PHE 101 Cb -0.14 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 1rwz s PHE 101 CO 0.04 -0.40 0.00 0.41 -0.05 0.00 0.00 175.22 175.22 1rwz n GLY 102 N 2.38 3.29 1.63 1.99 0.00 -1.26 -0.95 105.19 112.26 1rwz n GLY 102 Ca -0.15 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.74 1rwz n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rwz n SER 103 N 3.21 5.06 -4.54 1.61 7.64 -1.26 -4.97 113.62 120.37 1rwz n SER 103 Ca 0.00 -3.02 -0.32 0.00 1.01 0.00 0.00 58.87 56.54 1rwz n SER 103 Cb 0.00 -0.66 -0.12 0.00 -1.01 0.00 0.00 64.21 62.43 1rwz n SER 103 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rwz s VAL 104 N -2.84 3.36 -0.15 0.44 1.01 -0.12 -5.11 120.40 117.00 1rwz s VAL 104 Ca 0.51 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1rwz s VAL 104 Cb 0.40 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1rwz s VAL 104 CO 0.13 0.45 -0.05 -0.70 0.00 0.00 0.00 175.10 174.94 1rwz s GLU 105 N -1.20 1.34 -0.13 2.72 2.12 -1.26 -1.70 118.70 120.60 1rwz s GLU 105 Ca 0.15 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 54.99 1rwz s GLU 105 Cb -0.11 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 1rwz s GLU 105 CO 0.05 -0.41 0.09 -0.47 -0.54 0.00 0.00 175.26 173.97 1rwz s TYR 106 N 1.68 3.40 -0.12 5.30 5.04 0.57 -4.94 117.35 128.29 1rwz s TYR 106 Ca 0.02 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 1rwz s TYR 106 Cb -0.15 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1rwz s TYR 106 CO -0.08 0.52 -0.17 0.15 -1.34 0.00 0.00 175.55 174.63 1rwz s LYS 107 N -0.59 2.41 0.00 4.97 1.02 -1.26 0.03 119.74 126.32 1rwz s LYS 107 Ca 0.12 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.53 1rwz s LYS 107 Cb -0.12 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1rwz s LYS 107 CO 0.02 -0.07 -0.16 0.54 -0.92 0.00 0.00 175.35 174.77 1rwz s VAL 108 N 0.99 1.27 0.16 3.17 0.11 -0.40 -4.97 120.40 120.74 1rwz s VAL 108 Ca -0.06 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 1rwz s VAL 108 Cb -0.15 -1.08 -0.08 0.00 -1.53 0.00 0.00 36.38 33.54 1rwz s VAL 108 CO -0.02 0.28 1.26 0.00 -3.33 0.00 0.00 175.10 173.29 1rwz s ALA 109 N -0.49 3.48 0.65 1.54 0.00 -1.26 -1.24 121.76 124.44 1rwz s ALA 109 Ca 0.06 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 1rwz s ALA 109 Cb -0.07 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1rwz s ALA 109 CO -0.00 -0.47 1.04 -0.51 0.00 0.00 0.00 175.76 175.82 1rwz s LEU 110 N 0.16 3.10 -0.02 0.00 1.43 0.10 -4.79 118.68 118.67 1rwz s LEU 110 Ca 0.57 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1rwz s LEU 110 Cb -0.34 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 1rwz s LEU 110 CO 0.35 -1.08 0.04 -0.63 0.23 0.00 0.00 176.35 175.26 1rwz s ILE 111 N -3.23 4.44 -0.06 -0.59 1.01 0.58 -4.93 121.20 118.42 1rwz s ILE 111 Ca 0.56 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1rwz s ILE 111 Cb -0.11 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1rwz s ILE 111 CO 0.52 0.40 1.80 -0.62 0.00 0.00 0.00 174.94 177.04 1rwz s ASP 112 N -1.53 6.46 0.40 3.58 2.15 -1.26 -2.77 116.67 123.69 1rwz s ASP 112 Ca 0.20 2.27 0.20 0.00 0.43 0.00 0.00 52.55 55.64 1rwz s ASP 112 Cb -0.12 -2.53 1.14 0.00 -0.30 0.00 0.00 42.92 41.12 1rwz s ASP 112 CO 0.11 -1.10 1.73 -0.65 -0.17 0.00 0.00 175.17 175.09 1rwz h PRO 113 N 10.50 0.34 0.00 4.34 0.11 -1.90 0.11 132.00 145.49 1rwz h PRO 113 Ca -0.42 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 1rwz h PRO 113 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1rwz h PRO 113 CO 0.96 0.22 -0.29 0.77 -0.21 0.00 0.00 178.00 179.45 1rwz h SER 114 N 0.35 0.00 0.87 -2.05 0.02 -1.99 -2.04 113.55 108.71 1rwz h SER 114 Ca 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1rwz h SER 114 Cb 1.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1rwz h SER 114 CO -0.35 0.29 0.00 0.00 -1.14 0.00 0.00 176.83 175.63 1rwz n ALA 115 N -2.48 1.84 -2.33 3.77 0.00 0.37 -4.74 120.51 116.93 1rwz n ALA 115 Ca -0.02 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1rwz n ALA 115 Cb 0.34 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1rwz n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rwz s ILE 116 N -3.20 4.85 0.15 0.00 1.01 -0.77 -5.00 121.20 118.23 1rwz s ILE 116 Ca 0.07 0.71 -0.34 0.00 0.00 0.00 0.00 60.65 61.09 1rwz s ILE 116 Cb 0.11 -3.67 -0.16 0.00 0.01 0.00 0.00 42.46 38.75 1rwz s ILE 116 CO 0.43 0.03 1.22 -1.14 0.00 0.00 0.00 174.94 175.47 1rwz n ARG 117 N 0.19 1.17 -1.18 2.79 0.63 -1.26 -4.79 116.66 114.21 1rwz n ARG 117 Ca -0.01 0.42 -0.41 0.00 -0.92 0.00 0.00 57.85 56.93 1rwz n ARG 117 Cb 0.52 -1.96 -0.03 0.00 0.45 0.00 0.00 32.46 31.44 1rwz n ARG 117 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1rwz n LYS 118 N 1.98 0.00 -1.79 -0.14 4.76 -1.26 -4.78 118.16 116.93 1rwz n LYS 118 Ca 0.16 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.18 1rwz n LYS 118 Cb 0.23 -0.87 -0.03 0.00 -1.84 0.00 0.00 35.03 32.52 1rwz n LYS 118 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1rwz s GLU 119 N -0.78 4.16 0.56 1.97 2.56 -1.26 -4.96 118.70 120.94 1rwz s GLU 119 Ca 0.55 2.47 -0.17 0.00 0.00 0.00 0.00 54.97 57.82 1rwz s GLU 119 Cb -0.80 -4.05 -0.05 0.00 2.00 0.00 0.00 34.13 31.23 1rwz s GLU 119 CO 0.47 -0.90 1.05 -1.25 -0.56 0.00 0.00 175.26 174.07 1rwz s PRO 120 N 4.16 3.47 0.15 4.30 0.04 -1.26 -5.05 135.00 140.81 1rwz s PRO 120 Ca 0.83 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1rwz s PRO 120 Cb -0.40 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 1rwz s PRO 120 CO 0.37 -0.69 0.47 1.03 0.04 0.00 0.00 177.00 178.23 1rwz s ARG 121 N -3.85 3.79 -0.25 4.56 0.52 -1.26 -4.99 118.95 117.46 1rwz s ARG 121 Ca 0.64 0.22 -0.27 0.00 -0.52 0.00 0.00 55.73 55.80 1rwz s ARG 121 Cb -0.16 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1rwz s ARG 121 CO 0.32 0.45 0.95 0.42 0.02 0.00 0.00 175.30 177.46 1rwz s ILE 122 N -1.60 4.73 0.24 1.52 1.01 -1.26 -5.01 121.20 120.83 1rwz s ILE 122 Ca 0.40 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.52 1rwz s ILE 122 Cb -0.13 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 1rwz s ILE 122 CO 0.21 -0.17 1.49 -2.16 0.00 0.00 0.00 174.94 174.30 1rwz s PRO 123 N 3.09 4.24 -1.34 2.79 0.04 -1.26 -4.90 135.00 137.65 1rwz s PRO 123 Ca 0.40 2.35 -0.09 0.00 0.04 0.00 0.00 61.00 63.69 1rwz s PRO 123 Cb -0.15 -3.11 0.12 0.00 0.04 0.00 0.00 34.50 31.40 1rwz s PRO 123 CO 0.08 -0.49 2.11 0.39 0.04 0.00 0.00 177.00 179.13 1rwz n GLU 124 N 2.66 3.67 -2.07 4.56 1.02 -1.26 -4.97 120.64 124.25 1rwz n GLU 124 Ca 0.08 -3.26 -0.42 0.00 -0.02 0.00 0.00 57.16 53.54 1rwz n GLU 124 Cb 0.39 -2.93 -0.03 0.00 -0.02 0.00 0.00 31.44 28.86 1rwz n GLU 124 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1rwz s LEU 125 N -0.08 4.36 -0.48 -4.62 1.43 -1.26 -4.99 118.68 113.04 1rwz s LEU 125 Ca 0.45 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 1rwz s LEU 125 Cb 0.13 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.87 1rwz s LEU 125 CO -0.03 -0.74 0.37 -0.70 0.23 0.00 0.00 176.35 175.48 1rwz s GLU 126 N 1.44 2.68 -0.10 1.70 2.56 -1.26 -5.06 118.70 120.66 1rwz s GLU 126 Ca 0.67 -1.66 0.03 0.00 0.00 0.00 0.00 54.97 54.02 1rwz s GLU 126 Cb -0.39 -4.02 -0.01 0.00 2.00 0.00 0.00 34.13 31.72 1rwz s GLU 126 CO 0.30 -1.17 -0.21 -0.51 -0.56 0.00 0.00 175.26 173.11 1rwz s LEU 127 N 1.46 2.27 0.31 2.70 1.43 -1.26 -4.94 118.68 120.65 1rwz s LEU 127 Ca 0.04 -0.48 0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1rwz s LEU 127 Cb -0.26 -1.46 0.43 0.00 0.03 0.00 0.00 46.19 44.92 1rwz s LEU 127 CO 0.01 0.19 1.62 1.55 0.23 0.00 0.00 176.35 179.95 1rwz h PRO 128 N 6.53 0.00 -5.53 1.29 0.13 -1.89 -3.46 132.00 129.08 1rwz h PRO 128 Ca -0.24 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.25 1rwz h PRO 128 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1rwz h PRO 128 CO 0.49 0.51 -0.59 0.00 -0.23 0.00 0.00 178.00 178.18 1rwz s ALA 129 N -3.42 3.35 -0.10 -0.56 0.00 -0.73 -4.19 121.76 116.11 1rwz s ALA 129 Ca 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1rwz s ALA 129 Cb 0.11 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.52 1rwz s ALA 129 CO 0.73 0.35 -0.07 0.21 0.00 0.00 0.00 175.76 176.98 1rwz s LYS 130 N -0.15 1.45 -0.10 0.00 2.20 -1.26 -0.84 119.74 121.04 1rwz s LYS 130 Ca 0.06 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1rwz s LYS 130 Cb -0.12 -1.49 0.02 0.00 -1.51 0.00 0.00 37.83 34.72 1rwz s LYS 130 CO 0.02 -0.23 -0.13 0.42 -0.36 0.00 0.00 175.35 175.06 1rwz s ILE 131 N 1.59 1.34 -0.15 5.43 1.09 -0.03 -2.53 121.20 127.94 1rwz s ILE 131 Ca 0.02 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 59.02 1rwz s ILE 131 Cb -0.13 -1.24 -0.00 0.00 -1.06 0.00 0.00 42.46 40.03 1rwz s ILE 131 CO -0.06 0.41 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.34 1rwz s VAL 132 N 0.99 2.67 0.35 2.92 1.01 0.12 0.60 120.40 129.07 1rwz s VAL 132 Ca -0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1rwz s VAL 132 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1rwz s VAL 132 CO -0.01 0.52 0.53 1.15 0.00 0.00 0.00 175.10 177.29 1rwz n MET 133 N 3.98 0.77 -2.71 2.72 0.00 -0.29 -1.40 117.12 120.19 1rwz n MET 133 Ca -0.19 -2.65 -0.42 0.00 0.00 0.00 0.00 57.70 54.45 1rwz n MET 133 Cb 0.52 2.66 -0.04 0.00 0.00 0.00 0.00 33.22 36.37 1rwz n MET 133 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1rwz s ASP 134 N -3.11 7.41 0.42 3.17 2.15 -1.26 -1.22 116.67 124.22 1rwz s ASP 134 Ca 0.26 1.72 0.11 0.00 0.43 0.00 0.00 52.55 55.07 1rwz s ASP 134 Cb -0.02 -2.58 0.90 0.00 -0.30 0.00 0.00 42.92 40.93 1rwz s ASP 134 CO 0.19 -0.19 1.98 0.00 -0.17 0.00 0.00 175.17 176.98 1rwz h ALA 135 N 6.32 1.64 -0.44 3.66 0.00 -0.99 -2.46 119.26 126.99 1rwz h ALA 135 Ca -0.42 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1rwz h ALA 135 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1rwz h ALA 135 CO 0.74 0.27 -0.14 0.78 0.00 0.00 0.00 179.25 180.90 1rwz h GLY 136 N 0.57 0.89 1.05 0.00 0.00 -1.75 0.29 103.07 104.12 1rwz h GLY 136 Ca 0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 1rwz h GLY 136 CO 0.01 0.64 -0.09 -2.09 0.00 0.00 0.00 176.54 175.02 1rwz h GLU 137 N 0.73 0.94 -0.36 4.80 4.57 -1.80 -1.67 114.58 121.80 1rwz h GLU 137 Ca 0.12 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1rwz h GLU 137 Cb 0.64 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1rwz h GLU 137 CO 0.04 1.00 0.15 0.35 -1.18 0.00 0.00 179.01 179.37 1rwz h PHE 138 N 0.79 0.54 -0.88 0.92 3.57 -1.21 -1.73 116.94 118.95 1rwz h PHE 138 Ca 0.13 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1rwz h PHE 138 Cb 0.64 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 1rwz h PHE 138 CO 0.05 0.50 0.54 -0.22 -2.23 0.00 0.00 178.31 176.94 1rwz h LYS 139 N 0.43 0.91 -0.43 1.11 3.64 -0.73 -0.68 116.57 120.82 1rwz h LYS 139 Ca 0.12 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1rwz h LYS 139 Cb 0.18 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1rwz h LYS 139 CO -0.01 0.60 -0.16 0.87 -2.27 0.00 0.00 179.45 178.49 1rwz h LYS 140 N 0.94 0.81 -0.37 1.90 1.57 -0.97 -1.06 116.57 119.39 1rwz h LYS 140 Ca 0.40 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1rwz h LYS 140 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1rwz h LYS 140 CO -0.21 0.91 0.15 0.00 -0.57 0.00 0.00 179.45 179.74 1rwz h ALA 141 N 1.10 0.48 -0.60 3.86 0.00 -0.32 -0.94 119.26 122.84 1rwz h ALA 141 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rwz h ALA 141 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1rwz h ALA 141 CO 0.05 0.08 0.11 0.82 0.00 0.00 0.00 179.25 180.31 1rwz h ILE 142 N 0.45 1.25 -0.64 0.00 1.08 -1.02 -0.84 117.51 117.80 1rwz h ILE 142 Ca 0.12 -0.94 -0.06 0.00 -0.39 0.00 0.00 64.86 63.59 1rwz h ILE 142 Cb 0.18 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1rwz h ILE 142 CO -0.01 0.35 0.17 0.00 -0.69 0.00 0.00 178.15 177.97 1rwz h ALA 143 N 1.21 1.08 -0.21 1.87 0.00 -0.85 0.33 119.26 122.69 1rwz h ALA 143 Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1rwz h ALA 143 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rwz h ALA 143 CO 0.01 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1rwz h ALA 144 N 1.22 0.29 -0.68 0.00 0.00 -0.79 -3.08 119.26 116.22 1rwz h ALA 144 Ca 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rwz h ALA 144 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1rwz h ALA 144 CO -0.00 0.14 0.36 0.00 0.00 0.00 0.00 179.25 179.75 1rwz h ALA 145 N 0.69 1.36 -0.02 0.00 0.00 -0.93 -2.33 119.26 118.04 1rwz h ALA 145 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1rwz h ALA 145 Cb 0.61 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rwz h ALA 145 CO 0.03 0.52 0.03 0.22 0.00 0.00 0.00 179.25 180.06 1rwz h ASP 146 N 0.95 0.00 1.44 0.00 3.58 -0.84 0.04 116.42 121.59 1rwz h ASP 146 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1rwz h ASP 146 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1rwz h ASP 146 CO -0.04 0.00 -0.16 0.11 -2.88 0.00 0.00 179.24 176.27 1rwz h LYS 147 N 0.00 0.00 0.00 0.28 1.57 -1.42 -3.37 116.57 113.63 1rwz h LYS 147 Ca 0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.42 1rwz h LYS 147 Cb 0.08 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1rwz h LYS 147 CO -0.00 0.00 -2.37 -0.89 -0.57 0.00 0.00 179.45 175.62 1rwz n ILE 148 N -2.42 1.37 -4.03 1.86 2.08 -0.11 -5.09 119.36 113.02 1rwz n ILE 148 Ca 0.05 -0.48 -0.12 0.00 0.56 0.00 0.00 62.75 62.76 1rwz n ILE 148 Cb 0.46 -1.46 -0.04 0.00 -0.75 0.00 0.00 39.64 37.84 1rwz n ILE 148 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1rwz s SER 149 N -6.54 0.38 0.00 4.38 0.15 -0.52 -4.32 113.70 107.22 1rwz s SER 149 Ca -0.33 -1.22 0.19 0.00 0.70 0.00 0.00 55.95 55.29 1rwz s SER 149 Cb 0.10 0.64 0.34 0.00 -1.71 0.00 0.00 66.02 65.38 1rwz s SER 149 CO 0.52 -1.25 1.27 -0.90 1.20 0.00 0.00 173.24 174.08 1rwz n ASP 150 N -0.93 3.08 -3.97 5.45 5.75 -1.26 -4.28 116.55 120.38 1rwz n ASP 150 Ca -0.01 -1.90 -0.12 0.00 -0.01 0.00 0.00 54.79 52.76 1rwz n ASP 150 Cb 0.62 -0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 40.39 1rwz n ASP 150 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1rwz s GLN 151 N -1.29 0.31 0.03 0.11 -0.21 -1.26 -1.07 119.66 116.28 1rwz s GLN 151 Ca 0.31 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.26 1rwz s GLN 151 Cb 0.18 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 1rwz s GLN 151 CO 0.25 0.01 -0.06 0.14 -2.12 0.00 0.00 175.29 173.52 1rwz s VAL 152 N -0.90 0.38 -0.17 1.09 -7.23 -0.13 -4.58 120.40 108.87 1rwz s VAL 152 Ca -0.08 -1.00 -0.07 0.00 -1.81 0.00 0.00 61.98 59.02 1rwz s VAL 152 Cb -0.06 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 1rwz s VAL 152 CO -0.00 -0.41 0.08 -0.63 -0.31 0.00 0.00 175.10 173.83 1rwz s ILE 153 N -1.38 5.01 -0.20 -0.62 1.01 0.39 -0.45 121.20 124.96 1rwz s ILE 153 Ca -0.12 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1rwz s ILE 153 Cb -0.10 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1rwz s ILE 153 CO -0.00 0.49 0.07 -0.36 0.00 0.00 0.00 174.94 175.14 1rwz s PHE 154 N 0.04 3.23 -0.02 3.97 2.99 0.66 -0.88 117.98 127.96 1rwz s PHE 154 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 56.93 57.03 1rwz s PHE 154 Cb -0.12 -2.12 0.01 0.00 0.00 0.00 0.00 43.02 40.80 1rwz s PHE 154 CO 0.00 0.07 -0.04 0.50 -0.00 0.00 0.00 175.22 175.75 1rwz s ARG 155 N 0.60 0.61 0.02 0.44 3.52 0.04 -1.55 118.95 122.63 1rwz s ARG 155 Ca 0.04 -0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 1rwz s ARG 155 Cb -0.13 -0.63 -0.01 0.00 -1.56 0.00 0.00 34.95 32.62 1rwz s ARG 155 CO 0.01 0.00 -0.08 0.45 -0.81 0.00 0.00 175.30 174.88 1rwz s SER 156 N 0.47 0.94 0.08 -2.12 0.15 0.34 -0.38 113.70 113.17 1rwz s SER 156 Ca -0.06 -0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 1rwz s SER 156 Cb -0.09 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1rwz s SER 156 CO -0.00 -0.02 0.26 -0.90 1.20 0.00 0.00 173.24 173.78 1rwz n ASP 157 N 2.28 -0.56 0.30 5.45 5.68 -0.93 -1.40 116.55 127.37 1rwz n ASP 157 Ca -0.17 -1.34 0.17 0.00 -0.50 0.00 0.00 54.79 52.95 1rwz n ASP 157 Cb 0.56 0.91 0.96 0.00 -1.14 0.00 0.00 41.12 42.42 1rwz n ASP 157 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1rwz h LYS 158 N 0.00 0.00 -0.02 0.11 1.57 -1.82 -2.05 116.57 114.36 1rwz h LYS 158 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1rwz h LYS 158 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1rwz h LYS 158 CO 0.11 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.39 1rwz n GLU 159 N -3.65 1.23 0.00 3.15 1.02 -1.26 -4.79 120.64 116.33 1rwz n GLU 159 Ca -0.03 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1rwz n GLU 159 Cb 0.10 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1rwz n GLU 159 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rwz n GLY 160 N 1.03 0.56 3.27 0.62 0.00 -0.77 -4.51 105.19 105.39 1rwz n GLY 160 Ca 0.21 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 1rwz n GLY 160 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rwz s PHE 161 N -0.66 2.59 0.07 1.61 5.36 0.03 -2.19 117.98 124.79 1rwz s PHE 161 Ca 0.00 -0.87 0.06 0.00 -0.96 0.00 0.00 56.93 55.16 1rwz s PHE 161 Cb 0.00 -1.71 -0.03 0.00 -0.34 0.00 0.00 43.02 40.94 1rwz s PHE 161 CO 0.00 -0.32 -0.16 1.03 -1.46 0.00 0.00 175.22 174.32 1rwz s ARG 162 N 0.20 0.94 -0.15 10.12 0.52 0.48 -1.27 118.95 129.79 1rwz s ARG 162 Ca -0.13 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1rwz s ARG 162 Cb -0.16 -1.00 0.03 0.00 0.52 0.00 0.00 34.95 34.34 1rwz s ARG 162 CO 0.07 0.23 -0.10 0.42 0.02 0.00 0.00 175.30 175.94 1rwz s ILE 163 N -1.12 1.34 0.02 1.52 1.01 -0.01 -0.78 121.20 123.18 1rwz s ILE 163 Ca 0.01 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1rwz s ILE 163 Cb -0.09 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1rwz s ILE 163 CO 0.02 0.33 -0.22 -1.61 0.00 0.00 0.00 174.94 173.46 1rwz s GLU 164 N 1.56 1.61 -0.01 2.79 2.02 -0.06 -0.64 118.70 125.97 1rwz s GLU 164 Ca 0.03 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1rwz s GLU 164 Cb -0.14 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.43 1rwz s GLU 164 CO -0.09 0.44 -0.03 0.00 0.02 0.00 0.00 175.26 175.60 1rwz s ALA 165 N -0.70 0.30 -0.03 5.21 0.00 -0.34 -0.46 121.76 125.75 1rwz s ALA 165 Ca 0.09 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1rwz s ALA 165 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1rwz s ALA 165 CO 0.01 0.04 -0.16 0.15 0.00 0.00 0.00 175.76 175.80 1rwz s LYS 166 N 0.16 1.48 0.00 0.00 1.02 -1.26 -0.79 119.74 120.35 1rwz s LYS 166 Ca -0.01 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1rwz s LYS 166 Cb -0.04 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 1rwz s LYS 166 CO -0.00 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 1rwz n GLY 167 N 2.91 4.07 0.08 -3.33 0.00 0.14 -4.66 105.19 104.41 1rwz n GLY 167 Ca -0.16 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.54 1rwz n GLY 167 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rwz h ASP 168 N 0.00 0.13 -0.00 1.61 3.32 -2.01 -3.36 116.42 116.10 1rwz h ASP 168 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1rwz h ASP 168 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1rwz h ASP 168 CO 0.00 0.32 -0.01 1.33 -1.72 0.00 0.00 179.24 179.16 1rwz n VAL 169 N -4.89 0.00 -4.21 -1.35 0.24 -1.26 -5.06 118.33 101.80 1rwz n VAL 169 Ca -0.06 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.62 1rwz n VAL 169 Cb 0.15 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 1rwz n VAL 169 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1rwz s ASP 170 N -0.22 0.24 0.19 -1.34 1.47 -1.26 -5.17 116.67 110.58 1rwz s ASP 170 Ca 0.02 -1.38 -0.18 0.00 1.18 0.00 0.00 52.55 52.19 1rwz s ASP 170 Cb 0.01 0.36 0.03 0.00 -0.34 0.00 0.00 42.92 42.98 1rwz s ASP 170 CO 0.02 -0.83 0.52 -0.94 0.68 0.00 0.00 175.17 174.63 1rwz s SER 171 N -3.17 -0.28 -0.07 2.11 1.04 -1.26 0.27 113.70 112.34 1rwz s SER 171 Ca 0.38 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.31 1rwz s SER 171 Cb 0.07 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1rwz s SER 171 CO 0.12 -1.04 0.19 -0.51 0.98 0.00 0.00 173.24 172.98 1rwz s ILE 172 N -3.86 -0.00 -0.07 -1.02 2.07 0.03 -5.01 121.20 113.34 1rwz s ILE 172 Ca 0.08 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1rwz s ILE 172 Cb -0.01 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.33 1rwz s ILE 172 CO -0.04 0.00 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.25 1rwz s VAL 173 N 0.18 0.73 -0.17 4.00 1.01 -1.26 -1.19 120.40 123.69 1rwz s VAL 173 Ca -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1rwz s VAL 173 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1rwz s VAL 173 CO -0.00 0.29 0.03 0.12 0.00 0.00 0.00 175.10 175.54 1rwz s PHE 174 N 1.32 3.19 -0.08 5.22 5.36 0.19 -4.97 117.98 128.21 1rwz s PHE 174 Ca -0.04 -0.03 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 1rwz s PHE 174 Cb -0.14 -2.04 0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1rwz s PHE 174 CO -0.03 0.11 0.20 -1.58 -1.46 0.00 0.00 175.22 172.46 1rwz s HIS 175 N 0.35 -0.24 -0.05 10.12 5.65 -1.26 -0.83 115.29 129.02 1rwz s HIS 175 Ca 0.01 0.61 0.01 0.00 0.25 0.00 0.00 55.06 55.95 1rwz s HIS 175 Cb -0.13 0.02 0.02 0.00 -1.18 0.00 0.00 32.58 31.31 1rwz s HIS 175 CO 0.01 -0.17 -0.07 -1.64 -0.65 0.00 0.00 174.74 172.22 1rwz s MET 176 N 0.84 1.02 0.76 2.88 -1.94 -0.40 -5.00 119.30 117.46 1rwz s MET 176 Ca -0.06 -0.19 -0.09 0.00 -1.71 0.00 0.00 55.69 53.63 1rwz s MET 176 Cb -0.08 -0.95 0.07 0.00 2.01 0.00 0.00 34.83 35.88 1rwz s MET 176 CO -0.05 -0.03 1.10 0.95 -0.01 0.00 0.00 175.02 176.98 1rwz s THR 177 N 0.75 2.18 0.24 2.05 -4.23 -1.26 -0.79 115.64 114.59 1rwz s THR 177 Ca -0.11 -0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.24 1rwz s THR 177 Cb -0.14 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 70.89 1rwz s THR 177 CO 0.01 -0.02 1.77 -0.08 -0.54 0.00 0.00 174.62 175.76 1rwz h GLU 178 N -0.82 0.58 0.00 3.99 4.81 -1.87 -0.90 114.58 120.37 1rwz h GLU 178 Ca -0.45 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1rwz h GLU 178 Cb 1.32 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1rwz h GLU 178 CO 0.63 0.39 -0.20 0.00 -0.73 0.00 0.00 179.01 179.10 1rwz h THR 179 N 0.60 0.91 0.00 0.32 1.03 -1.97 -2.59 112.91 111.21 1rwz h THR 179 Ca 0.41 -0.74 -0.06 0.00 -0.01 0.00 0.00 66.41 66.01 1rwz h THR 179 Cb 0.51 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 1rwz h THR 179 CO -0.32 0.19 -0.35 -0.33 -0.01 0.00 0.00 175.52 174.70 1rwz h GLU 180 N 0.00 0.00 -7.03 0.00 5.08 -1.54 -3.46 114.58 107.64 1rwz h GLU 180 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.86 1rwz h GLU 180 Cb 0.41 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.69 1rwz h GLU 180 CO 0.03 0.25 0.21 -0.51 -1.00 0.00 0.00 179.01 177.99 1rwz s LEU 181 N -6.26 3.62 0.09 1.33 1.43 -0.92 -4.96 118.68 113.00 1rwz s LEU 181 Ca 0.05 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.19 1rwz s LEU 181 Cb 0.07 -4.14 -0.11 0.00 0.03 0.00 0.00 46.19 42.03 1rwz s LEU 181 CO 0.72 -0.57 1.36 0.40 0.23 0.00 0.00 176.35 178.49 1rwz h ILE 182 N 0.52 1.31 -2.76 -0.59 2.04 -1.51 -3.45 117.51 113.07 1rwz h ILE 182 Ca -0.46 -1.62 -0.12 0.00 1.00 0.00 0.00 64.86 63.66 1rwz h ILE 182 Cb 1.19 1.77 -0.23 0.00 -0.74 0.00 0.00 36.82 38.81 1rwz h ILE 182 CO 0.62 0.51 -0.23 -0.70 0.00 0.00 0.00 178.15 178.35 1rwz s GLU 183 N -4.12 0.52 -0.25 2.37 2.12 -1.16 -5.00 118.70 113.17 1rwz s GLU 183 Ca -0.12 0.45 -0.17 0.00 0.36 0.00 0.00 54.97 55.49 1rwz s GLU 183 Cb 0.08 0.25 0.07 0.00 0.26 0.00 0.00 34.13 34.79 1rwz s GLU 183 CO 0.84 -0.08 0.64 0.12 -0.54 0.00 0.00 175.26 176.24 1rwz s PHE 184 N -0.04 -0.90 -2.51 5.30 5.36 -1.26 -0.70 117.98 123.22 1rwz s PHE 184 Ca -0.02 1.90 0.22 0.00 -0.96 0.00 0.00 56.93 58.07 1rwz s PHE 184 Cb -0.03 0.47 0.27 0.00 -0.34 0.00 0.00 43.02 43.39 1rwz s PHE 184 CO 0.01 -0.45 1.26 0.27 -1.46 0.00 0.00 175.22 174.86 1rwz n ASN 185 N 3.84 3.05 -0.74 6.13 6.94 -1.05 -4.97 115.26 128.46 1rwz n ASN 185 Ca -0.19 -1.93 -0.10 0.00 -0.02 0.00 0.00 54.58 52.35 1rwz n ASN 185 Cb 0.57 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.85 1rwz n ASN 185 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rwz n GLY 186 N 1.29 1.04 3.75 4.83 0.00 -1.26 -4.96 105.19 109.87 1rwz n GLY 186 Ca 0.15 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1rwz n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rwz s GLY 187 N -2.53 2.85 -0.21 -0.02 0.00 -1.26 -3.30 107.32 102.84 1rwz s GLY 187 Ca 0.00 1.21 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 1rwz s GLY 187 CO 0.00 1.69 0.47 -0.54 0.00 0.00 0.00 173.10 174.72 1rwz s GLU 188 N -3.01 4.17 -0.01 2.90 2.02 -1.26 -2.83 118.70 120.68 1rwz s GLU 188 Ca 0.73 0.32 -0.29 0.00 0.02 0.00 0.00 54.97 55.75 1rwz s GLU 188 Cb -0.37 -3.57 0.08 0.00 0.10 0.00 0.00 34.13 30.37 1rwz s GLU 188 CO 0.42 -0.14 0.70 0.00 0.02 0.00 0.00 175.26 176.26 1rwz s ALA 189 N 1.61 -1.75 -0.27 5.21 0.00 -0.49 -4.72 121.76 121.35 1rwz s ALA 189 Ca 0.22 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.26 1rwz s ALA 189 Cb -0.15 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.24 1rwz s ALA 189 CO 0.09 -0.46 0.56 0.50 0.00 0.00 0.00 175.76 176.45 1rwz s ARG 190 N -1.79 0.49 0.05 0.00 3.52 -1.19 -0.50 118.95 119.53 1rwz s ARG 190 Ca -0.07 1.22 -0.05 0.00 -0.13 0.00 0.00 55.73 56.70 1rwz s ARG 190 Cb -0.00 0.60 -0.02 0.00 -1.56 0.00 0.00 34.95 33.97 1rwz s ARG 190 CO 0.04 -0.30 0.07 -1.12 -0.81 0.00 0.00 175.30 173.18 1rwz s SER 191 N 2.79 0.26 -0.02 -2.12 0.01 -0.60 -3.43 113.70 110.60 1rwz s SER 191 Ca 0.00 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.60 1rwz s SER 191 Cb -0.13 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.31 1rwz s SER 191 CO -0.17 -0.57 -0.12 -0.32 0.41 0.00 0.00 173.24 172.46 1rwz s MET 192 N -3.21 2.47 0.08 12.44 1.75 -1.26 -0.25 119.30 131.32 1rwz s MET 192 Ca 0.00 -0.73 -0.01 0.00 -1.25 0.00 0.00 55.69 53.70 1rwz s MET 192 Cb 0.02 -2.40 -0.04 0.00 2.84 0.00 0.00 34.83 35.25 1rwz s MET 192 CO -0.07 0.61 -0.01 -0.06 -0.65 0.00 0.00 175.02 174.84 1rwz s PHE 193 N -0.84 0.67 -0.06 4.11 0.40 0.41 -1.00 117.98 121.67 1rwz s PHE 193 Ca 0.14 -1.10 -0.30 0.00 -0.60 0.00 0.00 56.93 55.07 1rwz s PHE 193 Cb -0.11 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1rwz s PHE 193 CO 0.03 -0.39 1.17 0.45 0.70 0.00 0.00 175.22 177.18 1rwz s SER 194 N -2.97 7.09 0.28 1.36 0.15 -1.26 -0.95 113.70 117.39 1rwz s SER 194 Ca 0.13 1.77 0.01 0.00 0.70 0.00 0.00 55.95 58.57 1rwz s SER 194 Cb 0.08 -2.56 0.42 0.00 -1.71 0.00 0.00 66.02 62.25 1rwz s SER 194 CO -0.06 -0.55 1.76 0.58 1.20 0.00 0.00 173.24 176.16 1rwz h VAL 195 N 5.00 1.24 -0.43 4.45 2.07 -1.43 -2.99 116.25 124.16 1rwz h VAL 195 Ca -0.34 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.15 1rwz h VAL 195 Cb 1.16 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 1rwz h VAL 195 CO 0.87 0.37 -0.01 0.44 0.02 0.00 0.00 177.57 179.26 1rwz h ASP 196 N 0.52 -0.19 -0.33 0.57 3.32 -1.93 0.11 116.42 118.50 1rwz h ASP 196 Ca 0.09 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1rwz h ASP 196 Cb 0.55 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1rwz h ASP 196 CO 0.04 -0.06 -0.15 1.88 -1.72 0.00 0.00 179.24 179.23 1rwz h TYR 197 N 0.10 0.78 -0.99 4.55 -1.99 -1.94 -2.51 116.97 114.97 1rwz h TYR 197 Ca 0.21 -0.19 0.01 0.00 2.00 0.00 0.00 58.73 60.76 1rwz h TYR 197 Cb 0.31 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 1rwz h TYR 197 CO -0.29 0.89 0.65 -0.07 -0.00 0.00 0.00 178.16 179.34 1rwz h LEU 198 N 0.45 1.15 -0.59 3.88 3.38 -1.29 -0.49 115.31 121.81 1rwz h LEU 198 Ca 0.08 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1rwz h LEU 198 Cb 0.67 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1rwz h LEU 198 CO 0.05 0.84 0.14 0.50 0.09 0.00 0.00 178.44 180.06 1rwz h LYS 199 N 1.35 0.94 -0.56 1.13 3.64 -0.75 -2.52 116.57 119.80 1rwz h LYS 199 Ca 0.36 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1rwz h LYS 199 Cb -0.14 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 1rwz h LYS 199 CO -0.08 0.87 0.20 1.49 -2.27 0.00 0.00 179.45 179.66 1rwz h GLU 200 N 0.85 0.86 -0.48 1.90 4.57 -0.93 -2.91 114.58 118.43 1rwz h GLU 200 Ca 0.18 -0.17 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1rwz h GLU 200 Cb 0.36 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 1rwz h GLU 200 CO 0.00 0.77 0.17 0.74 -1.18 0.00 0.00 179.01 179.51 1rwz h PHE 201 N 0.78 0.30 0.00 0.92 0.05 -0.89 -2.33 116.94 115.78 1rwz h PHE 201 Ca 0.18 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.00 1rwz h PHE 201 Cb 0.25 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.13 1rwz h PHE 201 CO 0.01 0.10 0.00 0.00 -0.18 0.00 0.00 178.31 178.24 1rwz h LYS 203 N 0.00 0.00 -0.19 0.00 1.57 -1.39 -1.87 116.57 114.69 1rwz h LYS 203 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rwz h LYS 203 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1rwz h LYS 203 CO 0.00 0.01 0.00 1.33 -0.57 0.00 0.00 179.45 180.22 1rwz n VAL 204 N -3.14 0.23 -4.40 0.50 0.24 -1.21 -4.97 118.33 105.58 1rwz n VAL 204 Ca -0.02 -0.61 -0.24 0.00 -2.04 0.00 0.00 64.34 61.43 1rwz n VAL 204 Cb 0.17 1.26 -0.09 0.00 -1.47 0.00 0.00 33.84 33.71 1rwz n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rwz s ALA 205 N -1.77 3.05 0.30 2.33 0.00 -0.70 -4.94 121.76 120.03 1rwz s ALA 205 Ca 0.33 -1.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1rwz s ALA 205 Cb 0.21 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.03 1rwz s ALA 205 CO 0.31 0.15 0.65 0.41 0.00 0.00 0.00 175.76 177.28 1rwz n GLY 206 N -0.84 1.15 3.70 0.00 0.00 -1.26 -4.89 105.19 103.05 1rwz n GLY 206 Ca -0.05 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1rwz n GLY 206 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rwz n SER 207 N -1.41 2.88 0.00 1.61 7.64 -1.26 -1.83 113.62 121.25 1rwz n SER 207 Ca -0.07 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1rwz n SER 207 Cb 0.48 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1rwz n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rwz n GLY 208 N 1.09 2.67 3.84 0.23 0.00 -1.26 -4.87 105.19 106.90 1rwz n GLY 208 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1rwz n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rwz s ASP 209 N -1.29 6.81 0.11 1.61 1.01 -0.76 -4.97 116.67 119.18 1rwz s ASP 209 Ca 0.00 1.05 -0.16 0.00 0.71 0.00 0.00 52.55 54.15 1rwz s ASP 209 Cb 0.00 -2.28 -0.07 0.00 1.01 0.00 0.00 42.92 41.59 1rwz s ASP 209 CO 0.00 0.13 0.54 -0.22 0.21 0.00 0.00 175.17 175.83 1rwz s LEU 210 N -1.88 4.41 -0.07 1.23 2.96 -1.13 -0.49 118.68 123.72 1rwz s LEU 210 Ca 0.36 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 55.40 1rwz s LEU 210 Cb -0.15 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.48 1rwz s LEU 210 CO 0.19 0.18 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.09 1rwz s LEU 211 N -1.61 1.45 -0.18 -0.68 2.96 -0.36 -1.00 118.68 119.26 1rwz s LEU 211 Ca 0.34 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1rwz s LEU 211 Cb -0.16 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1rwz s LEU 211 CO 0.18 -0.02 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.16 1rwz s THR 212 N 0.96 2.61 -0.18 3.68 2.01 -0.16 -1.14 115.64 123.42 1rwz s THR 212 Ca -0.10 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 1rwz s THR 212 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1rwz s THR 212 CO 0.00 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 173.85 1rwz s ILE 213 N 1.22 4.62 -0.25 1.82 1.01 0.20 -0.67 121.20 129.15 1rwz s ILE 213 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 1rwz s ILE 213 Cb -0.14 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1rwz s ILE 213 CO -0.07 0.46 -0.00 -1.00 0.00 0.00 0.00 174.94 174.33 1rwz s HIS 214 N 0.45 3.05 -0.00 3.97 3.76 -0.20 -0.85 115.29 125.47 1rwz s HIS 214 Ca 0.02 -1.03 0.05 0.00 -0.15 0.00 0.00 55.06 53.95 1rwz s HIS 214 Cb -0.13 -2.15 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 1rwz s HIS 214 CO 0.01 -0.58 -0.16 -1.17 -0.85 0.00 0.00 174.74 171.99 1rwz s LEU 215 N 1.47 2.06 0.00 0.89 2.96 -0.02 -1.76 118.68 124.27 1rwz s LEU 215 Ca 0.04 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1rwz s LEU 215 Cb -0.16 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1rwz s LEU 215 CO -0.01 0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 1rwz n GLY 216 N 2.52 5.14 3.26 7.98 0.00 -1.26 -1.76 105.19 121.07 1rwz n GLY 216 Ca -0.15 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 1rwz n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rwz s THR 217 N -0.88 3.25 -1.40 2.61 2.01 -1.26 -3.19 115.64 116.78 1rwz s THR 217 Ca 0.00 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1rwz s THR 217 Cb 0.00 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.90 1rwz s THR 217 CO 0.00 0.23 0.61 0.59 -0.69 0.00 0.00 174.62 175.36 1rwz n ASN 218 N 4.75 -5.76 -4.31 3.53 3.02 -1.22 -4.97 115.26 110.30 1rwz n ASN 218 Ca -0.16 -0.29 -0.20 0.00 -0.03 0.00 0.00 54.58 53.90 1rwz n ASN 218 Cb 0.48 -4.56 -0.11 0.00 -0.61 0.00 0.00 39.78 34.98 1rwz n ASN 218 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1rwz s TYR 219 N -3.14 1.67 0.60 3.10 4.12 -1.26 -4.91 117.35 117.52 1rwz s TYR 219 Ca 0.30 -0.52 -0.19 0.00 0.02 0.00 0.00 57.07 56.69 1rwz s TYR 219 Cb -0.13 -0.84 -0.03 0.00 -1.52 0.00 0.00 41.96 39.44 1rwz s TYR 219 CO 0.38 0.28 1.24 -2.14 0.02 0.00 0.00 175.55 175.33 1rwz s PRO 220 N -2.92 2.91 0.01 -1.71 0.02 -1.26 -4.46 135.00 127.60 1rwz s PRO 220 Ca 0.15 1.93 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 1rwz s PRO 220 Cb -0.04 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1rwz s PRO 220 CO 0.05 -1.28 0.27 0.54 -0.33 0.00 0.00 177.00 176.26 1rwz s VAL 221 N -1.51 5.29 -0.20 3.83 0.11 -0.72 -4.65 120.40 122.55 1rwz s VAL 221 Ca 0.78 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.94 1rwz s VAL 221 Cb -0.33 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1rwz s VAL 221 CO 0.36 0.35 0.02 -0.13 -3.33 0.00 0.00 175.10 172.37 1rwz s ARG 222 N -1.79 3.69 -0.37 1.54 0.52 -0.72 -1.93 118.95 119.90 1rwz s ARG 222 Ca 0.28 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1rwz s ARG 222 Cb -0.13 -3.12 0.10 0.00 0.52 0.00 0.00 34.95 32.32 1rwz s ARG 222 CO 0.16 0.05 0.11 -0.51 0.02 0.00 0.00 175.30 175.13 1rwz s LEU 223 N 0.91 4.95 -0.51 2.53 1.43 0.19 -1.03 118.68 127.16 1rwz s LEU 223 Ca 0.02 -2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 50.82 1rwz s LEU 223 Cb -0.14 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.44 1rwz s LEU 223 CO 0.02 -0.44 0.57 -0.69 0.23 0.00 0.00 176.35 176.04 1rwz s VAL 224 N 0.99 4.97 -0.03 -1.59 1.01 0.16 -1.30 120.40 124.60 1rwz s VAL 224 Ca 0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1rwz s VAL 224 Cb -0.20 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1rwz s VAL 224 CO -0.07 -0.78 0.35 -0.36 0.00 0.00 0.00 175.10 174.24 1rwz s PHE 225 N 2.35 3.69 -0.28 5.22 0.40 0.05 -0.99 117.98 128.43 1rwz s PHE 225 Ca 0.12 0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 57.31 1rwz s PHE 225 Cb -0.21 -2.22 0.04 0.00 0.51 0.00 0.00 43.02 41.13 1rwz s PHE 225 CO 0.10 0.64 -0.02 -1.21 0.70 0.00 0.00 175.22 175.43 1rwz s GLU 226 N -0.98 2.60 0.39 0.44 2.02 -0.17 -0.48 118.70 122.52 1rwz s GLU 226 Ca 0.22 -1.14 0.08 0.00 0.02 0.00 0.00 54.97 54.14 1rwz s GLU 226 Cb -0.16 -3.11 -0.06 0.00 0.10 0.00 0.00 34.13 30.91 1rwz s GLU 226 CO 0.11 -0.53 0.06 -0.51 0.02 0.00 0.00 175.26 174.41 1rwz s LEU 227 N 1.29 2.98 -1.01 1.80 1.43 0.26 -2.83 118.68 122.59 1rwz s LEU 227 Ca -0.03 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 1rwz s LEU 227 Cb -0.18 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1rwz s LEU 227 CO -0.02 -0.41 0.81 0.52 0.23 0.00 0.00 176.35 177.47 1rwz n VAL 228 N -1.05 -7.56 -2.02 -1.59 0.31 -1.26 -1.21 118.33 103.95 1rwz n VAL 228 Ca -0.03 -0.90 -0.16 0.00 -0.01 0.00 0.00 64.34 63.24 1rwz n VAL 228 Cb 0.65 -5.43 -0.03 0.00 -0.91 0.00 0.00 33.84 28.12 1rwz n VAL 228 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rwz n GLY 229 N -1.55 0.34 2.21 2.92 0.00 -1.26 -1.96 105.19 105.89 1rwz n GLY 229 Ca -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1rwz n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rwz n GLY 230 N -1.02 0.68 0.08 -0.02 0.00 -0.93 -4.91 105.19 99.07 1rwz n GLY 230 Ca -0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 1rwz n GLY 230 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rwz h ARG 231 N 0.24 0.00 -6.27 1.61 3.08 -0.49 -3.46 114.38 109.09 1rwz h ARG 231 Ca -0.08 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.36 1rwz h ARG 231 Cb 0.36 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.15 1rwz h ARG 231 CO 0.12 0.87 -0.85 0.00 -1.07 0.00 0.00 179.97 179.04 1rwz s ALA 232 N -2.85 1.89 -0.22 0.04 0.00 -0.66 -4.33 121.76 115.63 1rwz s ALA 232 Ca 0.01 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1rwz s ALA 232 Cb 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1rwz s ALA 232 CO 0.80 0.43 -0.02 0.21 0.00 0.00 0.00 175.76 177.17 1rwz s LYS 233 N -1.27 3.46 -0.25 0.00 2.20 -0.38 -0.58 119.74 122.93 1rwz s LYS 233 Ca 0.09 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1rwz s LYS 233 Cb -0.09 -3.04 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 1rwz s LYS 233 CO 0.02 -0.14 -0.03 0.08 -0.36 0.00 0.00 175.35 174.92 1rwz s VAL 234 N 1.36 1.50 -0.17 4.02 1.01 0.37 -1.18 120.40 127.31 1rwz s VAL 234 Ca 0.04 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.67 1rwz s VAL 234 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1rwz s VAL 234 CO -0.01 -0.18 0.02 -0.70 0.00 0.00 0.00 175.10 174.23 1rwz s GLU 235 N 1.39 3.84 -0.07 2.72 2.12 0.01 -0.77 118.70 127.94 1rwz s GLU 235 Ca -0.03 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1rwz s GLU 235 Cb -0.19 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1rwz s GLU 235 CO -0.08 0.27 -0.13 0.71 -0.54 0.00 0.00 175.26 175.50 1rwz s TYR 236 N 0.34 2.76 -0.09 5.30 1.51 -0.42 -0.21 117.35 126.54 1rwz s TYR 236 Ca 0.00 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 1rwz s TYR 236 Cb -0.13 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1rwz s TYR 236 CO 0.01 0.14 -0.22 0.42 -1.11 0.00 0.00 175.55 174.80 1rwz s ILE 237 N -0.54 1.87 -0.11 2.71 1.01 -0.23 -0.64 121.20 125.27 1rwz s ILE 237 Ca 0.08 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1rwz s ILE 237 Cb -0.12 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1rwz s ILE 237 CO 0.02 0.52 -0.18 -0.22 0.00 0.00 0.00 174.94 175.08 1rwz s LEU 238 N 0.39 1.85 0.55 2.97 2.96 -0.81 -1.15 118.68 125.43 1rwz s LEU 238 Ca -0.18 -0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 53.06 1rwz s LEU 238 Cb -0.17 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 1rwz s LEU 238 CO 0.08 0.06 1.29 0.00 -1.32 0.00 0.00 176.35 176.46 1rwz s ALA 239 N 0.78 2.76 0.48 5.97 0.00 -0.11 -1.75 121.76 129.88 1rwz s ALA 239 Ca -0.10 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 1rwz s ALA 239 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1rwz s ALA 239 CO 0.01 -1.23 0.75 -1.25 0.00 0.00 0.00 175.76 174.04 1rwz s PRO 240 N -2.97 3.32 0.56 0.00 0.04 -1.26 -4.75 135.00 129.94 1rwz s PRO 240 Ca 0.72 -0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.78 1rwz s PRO 240 Cb -0.36 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 31.81 1rwz s PRO 240 CO 0.42 -0.26 0.56 1.03 0.04 0.00 0.00 177.00 178.79 1rwz s ARG 241 N -4.69 2.26 -0.29 4.56 0.52 -0.17 -5.02 118.95 116.12 1rwz s ARG 241 Ca 0.48 -1.90 -0.29 0.00 -0.52 0.00 0.00 55.73 53.49 1rwz s ARG 241 Cb -0.10 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1rwz s ARG 241 CO 0.42 -0.74 1.13 0.42 0.02 0.00 0.00 175.30 176.55 1rwz s ILE 242 N -2.75 4.45 -0.27 1.52 -1.09 -1.26 -4.32 121.20 117.48 1rwz s ILE 242 Ca 0.44 1.69 -0.11 0.00 -2.23 0.00 0.00 60.65 60.43 1rwz s ILE 242 Cb -0.04 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1rwz s ILE 242 CO 0.28 -0.40 0.21 -0.70 -1.23 0.00 0.00 174.94 173.10 1rwz s GLU 243 N 3.66 3.99 0.00 2.79 -6.30 -1.26 -4.86 118.70 116.72 1rwz s GLU 243 Ca 0.48 -0.25 0.00 0.00 -2.50 0.00 0.00 54.97 52.70 1rwz s GLU 243 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 34.13 30.36 1rwz s GLU 243 CO 0.15 -0.14 0.00 -1.13 0.02 0.00 0.00 175.26 174.17