#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xw3 s PRO 29 N 0.00 -1.15 0.34 1.61 0.02 -1.26 -4.91 135.00 129.65 1xw3 s PRO 29 Ca 0.00 0.75 -0.29 0.00 0.02 0.00 0.00 61.00 61.49 1xw3 s PRO 29 Cb 0.00 -1.53 -0.12 0.00 0.02 0.00 0.00 34.50 32.87 1xw3 s PRO 29 CO 0.00 -3.86 1.49 0.72 -0.33 0.00 0.00 177.00 175.03 1xw3 n HIS 30 N -5.00 2.82 0.09 6.54 8.25 -1.26 -4.96 115.22 121.71 1xw3 n HIS 30 Ca 0.03 0.40 0.05 0.00 -0.26 0.00 0.00 57.72 57.93 1xw3 n HIS 30 Cb 0.55 -2.54 -0.01 0.00 1.12 0.00 0.00 29.99 29.11 1xw3 n HIS 30 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1xw3 h MET 31 N 3.56 0.00 -5.57 -0.41 2.86 -2.12 -3.48 114.93 109.77 1xw3 h MET 31 Ca -0.49 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.66 1xw3 h MET 31 Cb 1.24 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.76 1xw3 h MET 31 CO 0.69 0.24 -0.69 -1.12 1.06 0.00 0.00 176.91 177.09 1xw3 s SER 32 N -5.89 2.79 0.34 1.22 0.01 -1.26 -5.15 113.70 105.76 1xw3 s SER 32 Ca 0.00 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.16 1xw3 s SER 32 Cb 0.08 -0.17 -0.07 0.00 0.21 0.00 0.00 66.02 66.07 1xw3 s SER 32 CO 0.78 -0.28 0.05 0.27 0.41 0.00 0.00 173.24 174.47 1xw3 s ILE 33 N -2.96 1.31 -0.18 1.44 -5.25 -1.26 -5.14 121.20 109.15 1xw3 s ILE 33 Ca 0.28 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 57.88 1xw3 s ILE 33 Cb 0.02 -2.82 -0.04 0.00 2.95 0.00 0.00 42.46 42.58 1xw3 s ILE 33 CO 0.11 0.00 0.04 -1.00 -1.79 0.00 0.00 174.94 172.30 1xw3 s HIS 34 N -3.20 3.18 -0.01 1.37 3.76 -1.26 -5.11 115.29 114.02 1xw3 s HIS 34 Ca 0.36 -0.05 0.08 0.00 -0.15 0.00 0.00 55.06 55.30 1xw3 s HIS 34 Cb 0.09 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 1xw3 s HIS 34 CO 0.16 0.08 -0.25 0.45 -0.85 0.00 0.00 174.74 174.32 1xw3 s SER 35 N 0.43 2.97 0.13 1.40 0.15 -1.26 -5.12 113.70 112.40 1xw3 s SER 35 Ca 0.01 -0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.04 1xw3 s SER 35 Cb -0.13 -0.33 0.06 0.00 -1.71 0.00 0.00 66.02 63.91 1xw3 s SER 35 CO 0.01 0.30 0.76 0.61 1.20 0.00 0.00 173.24 176.13 1xw3 n GLY 36 N 2.40 0.77 3.75 9.45 0.00 -1.26 -5.15 105.19 115.15 1xw3 n GLY 36 Ca -0.16 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1xw3 n GLY 36 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xw3 s ARG 37 N -2.04 2.95 0.00 1.61 1.70 -1.26 -4.97 118.95 116.95 1xw3 s ARG 37 Ca 0.17 1.84 -0.29 0.00 -0.47 0.00 0.00 55.73 56.97 1xw3 s ARG 37 Cb -0.02 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 1xw3 s ARG 37 CO 0.04 -1.22 0.96 0.42 -1.08 0.00 0.00 175.30 174.41 1xw3 s ILE 38 N -1.59 4.86 0.04 4.99 1.01 -1.26 -4.89 121.20 124.36 1xw3 s ILE 38 Ca 0.78 2.01 0.08 0.00 0.00 0.00 0.00 60.65 63.52 1xw3 s ILE 38 Cb -0.31 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.84 1xw3 s ILE 38 CO 0.33 0.18 -0.24 0.00 0.00 0.00 0.00 174.94 175.21 1xw3 s ALA 39 N 0.92 2.01 -0.10 9.38 0.00 -1.26 -0.83 121.76 131.89 1xw3 s ALA 39 Ca 0.51 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1xw3 s ALA 39 Cb -0.21 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1xw3 s ALA 39 CO 0.27 0.47 0.31 0.00 0.00 0.00 0.00 175.76 176.82 1xw3 s ALA 40 N -0.78 -0.78 -0.03 0.00 0.00 -0.65 -4.96 121.76 114.56 1xw3 s ALA 40 Ca 0.10 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 1xw3 s ALA 40 Cb -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1xw3 s ALA 40 CO 0.02 -0.17 0.74 0.08 0.00 0.00 0.00 175.76 176.43 1xw3 s VAL 41 N -0.12 4.94 0.02 0.00 1.01 -1.26 -0.10 120.40 124.89 1xw3 s VAL 41 Ca -0.03 1.55 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 1xw3 s VAL 41 Cb -0.03 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1xw3 s VAL 41 CO 0.01 0.28 -0.00 -1.00 0.00 0.00 0.00 175.10 174.39 1xw3 s HIS 42 N 0.56 0.27 -0.52 5.22 3.76 0.51 -4.97 115.29 120.12 1xw3 s HIS 42 Ca 0.39 -0.56 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 1xw3 s HIS 42 Cb -0.19 -0.20 0.03 0.00 1.11 0.00 0.00 32.58 33.33 1xw3 s HIS 42 CO 0.20 -0.24 1.10 -0.80 -0.85 0.00 0.00 174.74 174.15 1xw3 s ASN 43 N -1.71 6.51 -0.08 1.40 0.01 -1.26 -0.22 114.94 119.59 1xw3 s ASN 43 Ca -0.12 0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 52.21 1xw3 s ASN 43 Cb -0.07 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1xw3 s ASN 43 CO -0.02 -1.29 -0.03 0.54 -1.51 0.00 0.00 177.10 174.79 1xw3 s VAL 44 N 4.44 4.04 0.23 1.60 0.11 -0.40 -4.84 120.40 125.59 1xw3 s VAL 44 Ca 0.42 -0.35 -0.32 0.00 -2.93 0.00 0.00 61.98 58.81 1xw3 s VAL 44 Cb -0.08 -2.68 -0.13 0.00 -1.53 0.00 0.00 36.38 31.96 1xw3 s VAL 44 CO 0.27 0.60 1.57 -2.65 -3.33 0.00 0.00 175.10 171.56 1xw3 n PRO 45 N 2.24 2.43 -0.17 1.54 -0.02 -1.26 -0.86 135.00 138.90 1xw3 n PRO 45 Ca -0.18 0.87 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1xw3 n PRO 45 Cb 0.53 -2.63 0.46 0.00 -0.02 0.00 0.00 33.50 31.84 1xw3 n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xw3 h LEU 46 N 5.31 0.48 -2.48 2.45 4.07 -1.55 -1.93 115.31 121.66 1xw3 h LEU 46 Ca -0.45 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.53 1xw3 h LEU 46 Cb 1.24 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1xw3 h LEU 46 CO 0.84 0.27 -0.01 0.77 -1.08 0.00 0.00 178.44 179.22 1xw3 h SER 47 N 0.52 0.00 1.17 -0.43 4.64 -1.89 -2.64 113.55 114.92 1xw3 h SER 47 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1xw3 h SER 47 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1xw3 h SER 47 CO -0.12 0.01 -0.30 0.55 -0.87 0.00 0.00 176.83 176.10 1xw3 n VAL 48 N -3.20 0.47 -2.74 0.95 3.14 -0.72 -4.84 118.33 111.39 1xw3 n VAL 48 Ca -0.02 -0.27 -0.42 0.00 -2.96 0.00 0.00 64.34 60.67 1xw3 n VAL 48 Cb 0.14 -0.36 -0.03 0.00 -1.06 0.00 0.00 33.84 32.53 1xw3 n VAL 48 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xw3 s LEU 49 N -4.35 4.40 -0.20 6.55 1.43 -1.00 -4.51 118.68 121.00 1xw3 s LEU 49 Ca 0.09 1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 54.67 1xw3 s LEU 49 Cb 0.13 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1xw3 s LEU 49 CO 0.65 -0.20 0.45 -0.63 0.23 0.00 0.00 176.35 176.85 1xw3 s ILE 50 N 0.75 5.16 -0.60 -0.59 1.01 0.28 -4.94 121.20 122.28 1xw3 s ILE 50 Ca 0.50 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.99 1xw3 s ILE 50 Cb -0.21 -3.77 0.16 0.00 0.01 0.00 0.00 42.46 38.65 1xw3 s ILE 50 CO 0.28 0.22 0.42 -0.13 0.00 0.00 0.00 174.94 175.72 1xw3 s ARG 51 N 1.45 1.98 0.49 2.79 1.81 -1.26 -0.81 118.95 125.40 1xw3 s ARG 51 Ca 0.21 -2.89 0.25 0.00 -1.72 0.00 0.00 55.73 51.58 1xw3 s ARG 51 Cb -0.15 -2.89 1.26 0.00 -0.45 0.00 0.00 34.95 32.73 1xw3 s ARG 51 CO 0.09 -1.28 1.99 -1.35 -0.68 0.00 0.00 175.30 174.07 1xw3 h PRO 52 N 5.68 0.00 -6.39 3.54 0.11 -1.96 -3.45 132.00 129.52 1xw3 h PRO 52 Ca 0.14 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.60 1xw3 h PRO 52 Cb 0.82 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.80 1xw3 h PRO 52 CO 0.62 0.17 -0.68 -0.51 -0.21 0.00 0.00 178.00 177.39 1xw3 s LEU 53 N -7.25 3.37 0.59 2.35 1.43 -1.26 -5.09 118.68 112.81 1xw3 s LEU 53 Ca -0.02 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.64 1xw3 s LEU 53 Cb 0.13 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1xw3 s LEU 53 CO 0.61 0.17 1.30 -2.16 0.23 0.00 0.00 176.35 176.50 1xw3 s PRO 54 N -2.36 2.91 -0.11 1.29 0.04 -1.26 -5.00 135.00 130.51 1xw3 s PRO 54 Ca 0.25 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 63.26 1xw3 s PRO 54 Cb -0.11 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1xw3 s PRO 54 CO 0.17 -1.32 0.26 -1.12 0.04 0.00 0.00 177.00 175.03 1xw3 s SER 55 N -1.24 6.49 -0.22 6.66 0.01 -1.26 -5.08 113.70 119.06 1xw3 s SER 55 Ca 0.76 0.58 -0.18 0.00 1.31 0.00 0.00 55.95 58.42 1xw3 s SER 55 Cb -0.37 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1xw3 s SER 55 CO 0.42 0.25 0.52 -0.69 0.41 0.00 0.00 173.24 174.15 1xw3 s VAL 56 N -0.36 5.09 -0.04 3.43 1.01 -1.26 -5.06 120.40 123.21 1xw3 s VAL 56 Ca 0.17 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1xw3 s VAL 56 Cb -0.13 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1xw3 s VAL 56 CO 0.06 0.15 -0.04 -0.76 0.00 0.00 0.00 175.10 174.50 1xw3 s LEU 57 N 1.86 1.32 -0.45 3.92 1.43 -1.26 -4.78 118.68 120.73 1xw3 s LEU 57 Ca 0.23 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1xw3 s LEU 57 Cb -0.15 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1xw3 s LEU 57 CO 0.09 -0.06 0.77 -0.62 0.23 0.00 0.00 176.35 176.76 1xw3 s ASP 58 N 0.91 6.40 0.40 2.29 -1.08 -1.26 -4.96 116.67 119.38 1xw3 s ASP 58 Ca -0.11 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 51.94 1xw3 s ASP 58 Cb -0.14 -2.38 1.00 0.00 -1.46 0.00 0.00 42.92 39.94 1xw3 s ASP 58 CO 0.00 -0.90 1.88 -0.65 0.52 0.00 0.00 175.17 176.03 1xw3 h PRO 59 N 8.95 0.47 -0.48 4.34 0.11 -2.00 -0.06 132.00 143.34 1xw3 h PRO 59 Ca -0.25 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1xw3 h PRO 59 Cb 1.09 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1xw3 h PRO 59 CO 0.95 0.31 -0.05 0.00 -0.21 0.00 0.00 178.00 179.01 1xw3 h ALA 60 N 1.62 1.02 -0.46 -0.75 0.00 -2.00 -1.94 119.26 116.77 1xw3 h ALA 60 Ca 0.43 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1xw3 h ALA 60 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xw3 h ALA 60 CO -0.16 0.60 -0.10 -0.22 0.00 0.00 0.00 179.25 179.36 1xw3 h LYS 61 N 0.76 0.87 -0.41 0.00 3.64 -1.46 -0.24 116.57 119.73 1xw3 h LYS 61 Ca 0.14 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1xw3 h LYS 61 Cb 0.52 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1xw3 h LYS 61 CO 0.03 0.97 0.14 0.28 -2.27 0.00 0.00 179.45 178.61 1xw3 h VAL 62 N 0.71 0.88 -0.62 2.00 2.07 -1.04 -1.38 116.25 118.87 1xw3 h VAL 62 Ca 0.12 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1xw3 h VAL 62 Cb 0.65 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1xw3 h VAL 62 CO 0.04 0.06 0.24 -0.61 0.02 0.00 0.00 177.57 177.32 1xw3 h GLN 63 N 0.31 0.94 -0.65 1.57 5.75 -0.98 -0.81 115.11 121.24 1xw3 h GLN 63 Ca 0.19 -0.17 0.10 0.00 -0.15 0.00 0.00 58.65 58.61 1xw3 h GLN 63 Cb 0.17 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 1xw3 h GLN 63 CO -0.19 0.80 0.28 1.03 -2.65 0.00 0.00 178.83 178.09 1xw3 h SER 64 N 0.88 0.31 -0.55 -0.69 0.87 -0.73 -1.27 113.55 112.37 1xw3 h SER 64 Ca 0.21 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1xw3 h SER 64 Cb 0.21 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1xw3 h SER 64 CO -0.02 0.18 0.05 -0.07 -0.53 0.00 0.00 176.83 176.44 1xw3 h LEU 65 N 0.48 0.93 -0.46 2.23 3.38 -0.69 -1.69 115.31 119.49 1xw3 h LEU 65 Ca 0.33 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xw3 h LEU 65 Cb 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xw3 h LEU 65 CO -0.30 0.97 0.30 0.58 0.09 0.00 0.00 178.44 180.08 1xw3 h VAL 66 N 0.90 1.12 -0.29 1.22 2.07 -0.07 0.15 116.25 121.35 1xw3 h VAL 66 Ca 0.17 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xw3 h VAL 66 Cb 0.46 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1xw3 h VAL 66 CO 0.02 0.12 0.17 0.44 0.02 0.00 0.00 177.57 178.34 1xw3 h ASP 67 N 0.62 0.36 -0.34 0.57 3.32 -1.15 -1.71 116.42 118.09 1xw3 h ASP 67 Ca 0.17 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1xw3 h ASP 67 Cb -0.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1xw3 h ASP 67 CO -0.04 0.31 0.15 0.74 -1.72 0.00 0.00 179.24 178.69 1xw3 h THR 68 N 0.37 1.17 -0.92 0.35 2.02 -1.01 -1.78 112.91 113.11 1xw3 h THR 68 Ca 0.10 -0.51 0.08 0.00 0.77 0.00 0.00 66.41 66.85 1xw3 h THR 68 Cb 0.03 0.88 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1xw3 h THR 68 CO -0.02 0.18 0.57 0.40 0.37 0.00 0.00 175.52 177.03 1xw3 h ILE 69 N 0.41 1.01 -0.28 3.11 2.04 -0.56 0.31 117.51 123.55 1xw3 h ILE 69 Ca 0.12 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xw3 h ILE 69 Cb 0.15 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1xw3 h ILE 69 CO -0.01 0.18 0.14 0.03 0.00 0.00 0.00 178.15 178.49 1xw3 h ARG 70 N 1.01 0.40 0.04 2.37 3.08 -0.92 -3.24 114.38 117.12 1xw3 h ARG 70 Ca 0.42 -0.05 -0.36 0.00 0.07 0.00 0.00 59.98 60.05 1xw3 h ARG 70 Cb 0.26 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1xw3 h ARG 70 CO -0.20 0.37 -2.18 -1.91 -1.07 0.00 0.00 179.97 174.98 1xw3 n GLU 71 N -4.81 0.69 -3.15 0.04 0.00 -0.70 -4.73 120.64 107.98 1xw3 n GLU 71 Ca -0.02 0.19 -0.21 0.00 0.00 0.00 0.00 57.16 57.11 1xw3 n GLU 71 Cb 0.09 -1.63 -0.05 0.00 0.00 0.00 0.00 31.44 29.85 1xw3 n GLU 71 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xw3 n ASP 72 N -3.22 0.06 0.15 4.31 2.03 0.11 -5.00 116.55 114.98 1xw3 n ASP 72 Ca -0.35 -2.81 0.04 0.00 0.52 0.00 0.00 54.79 52.19 1xw3 n ASP 72 Cb 1.05 -0.43 0.46 0.00 -0.72 0.00 0.00 41.12 41.47 1xw3 n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xw3 h PRO 73 N 3.78 0.18 0.00 -0.67 0.13 -1.57 -1.86 132.00 131.99 1xw3 h PRO 73 Ca 0.06 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1xw3 h PRO 73 Cb 0.91 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xw3 h PRO 73 CO 0.45 0.27 0.00 -0.44 -0.23 0.00 0.00 178.00 178.06 1xw3 h ASP 74 N 0.17 0.00 0.76 1.44 3.32 -1.91 -0.81 116.42 119.39 1xw3 h ASP 74 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xw3 h ASP 74 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xw3 h ASP 74 CO 0.01 0.00 -0.18 -1.54 -1.72 0.00 0.00 179.24 175.82 1xw3 n SER 75 N -2.57 0.21 -4.58 6.45 3.41 -0.70 -4.79 113.62 111.06 1xw3 n SER 75 Ca -0.02 0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 1xw3 n SER 75 Cb 0.07 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 1xw3 n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xw3 s VAL 76 N -2.93 5.02 0.60 -3.33 1.01 -0.31 -5.05 120.40 115.41 1xw3 s VAL 76 Ca 0.15 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1xw3 s VAL 76 Cb 0.19 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xw3 s VAL 76 CO 0.58 -0.13 1.10 -2.84 0.00 0.00 0.00 175.10 173.81 1xw3 s PRO 77 N 2.40 3.13 0.49 2.72 0.02 -1.26 -4.97 135.00 137.53 1xw3 s PRO 77 Ca 0.20 1.41 -0.24 0.00 0.02 0.00 0.00 61.00 62.40 1xw3 s PRO 77 Cb -0.15 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 1xw3 s PRO 77 CO 0.12 -0.99 1.38 -1.25 -0.33 0.00 0.00 177.00 175.93 1xw3 s PRO 78 N -3.80 3.46 0.42 5.54 0.04 -1.26 -4.98 135.00 134.42 1xw3 s PRO 78 Ca 0.68 2.30 -0.22 0.00 0.04 0.00 0.00 61.00 63.80 1xw3 s PRO 78 Cb -0.20 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 1xw3 s PRO 78 CO 0.35 -0.96 0.99 0.96 0.04 0.00 0.00 177.00 178.38 1xw3 s ILE 79 N -1.26 4.10 -0.06 0.56 -4.36 -0.68 -4.57 121.20 114.92 1xw3 s ILE 79 Ca 0.66 1.41 -0.26 0.00 -0.26 0.00 0.00 60.65 62.20 1xw3 s ILE 79 Cb -0.41 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 39.63 1xw3 s ILE 79 CO 0.51 -0.18 0.81 -1.81 0.24 0.00 0.00 174.94 174.51 1xw3 s ASP 80 N -1.95 7.10 -0.04 4.36 1.01 -1.26 0.02 116.67 125.91 1xw3 s ASP 80 Ca 0.61 1.33 0.03 0.00 0.71 0.00 0.00 52.55 55.23 1xw3 s ASP 80 Cb -0.14 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1xw3 s ASP 80 CO 0.19 -0.21 -0.12 -0.69 0.21 0.00 0.00 175.17 174.55 1xw3 s VAL 81 N 1.10 1.05 -0.26 -1.27 1.01 -0.22 -4.54 120.40 117.28 1xw3 s VAL 81 Ca 0.42 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1xw3 s VAL 81 Cb -0.18 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1xw3 s VAL 81 CO 0.20 0.32 1.01 -0.76 0.00 0.00 0.00 175.10 175.87 1xw3 s LEU 82 N 0.26 4.06 -0.44 3.92 1.02 -0.12 -0.15 118.68 127.22 1xw3 s LEU 82 Ca -0.06 1.23 -0.16 0.00 0.02 0.00 0.00 54.13 55.16 1xw3 s LEU 82 Cb -0.11 -3.48 0.04 0.00 0.02 0.00 0.00 46.19 42.66 1xw3 s LEU 82 CO 0.02 -0.70 0.38 0.86 0.02 0.00 0.00 176.35 176.93 1xw3 s TRP 83 N 3.25 3.22 -0.10 0.29 -0.00 0.01 -0.99 118.94 124.62 1xw3 s TRP 83 Ca 0.43 -0.66 -0.01 0.00 -0.00 0.00 0.00 56.10 55.86 1xw3 s TRP 83 Cb -0.14 -2.90 -0.03 0.00 -0.00 0.00 0.00 33.47 30.40 1xw3 s TRP 83 CO 0.09 -0.71 -0.06 0.42 -0.00 0.00 0.00 176.95 176.69 1xw3 s ILE 84 N 1.81 3.74 -0.22 5.86 1.01 0.24 -0.94 121.20 132.69 1xw3 s ILE 84 Ca 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 1xw3 s ILE 84 Cb -0.20 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1xw3 s ILE 84 CO 0.10 0.56 0.11 -0.75 0.00 0.00 0.00 174.94 174.96 1xw3 s LYS 85 N -0.37 3.99 1.03 2.79 2.47 -1.26 -0.85 119.74 127.54 1xw3 s LYS 85 Ca 0.05 -0.32 -0.17 0.00 -1.56 0.00 0.00 55.97 53.98 1xw3 s LYS 85 Cb -0.12 -3.40 0.23 0.00 -1.46 0.00 0.00 37.83 33.08 1xw3 s LYS 85 CO 0.02 0.11 1.28 0.20 0.16 0.00 0.00 175.35 177.13 1xw3 s GLY 86 N 0.86 1.74 0.56 5.54 0.00 0.97 -4.87 107.32 112.12 1xw3 s GLY 86 Ca 0.06 -1.18 0.26 0.00 0.00 0.00 0.00 44.72 43.86 1xw3 s GLY 86 CO 0.03 -0.36 2.06 0.00 0.00 0.00 0.00 173.10 174.82 1xw3 h ALA 87 N -1.90 2.10 -0.27 3.20 0.00 -0.64 -0.31 119.26 121.45 1xw3 h ALA 87 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xw3 h ALA 87 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xw3 h ALA 87 CO 0.35 -0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1xw3 n GLN 88 N -4.10 2.89 -0.49 0.00 6.02 0.43 -4.97 117.38 117.17 1xw3 n GLN 88 Ca 0.04 -2.69 0.00 0.00 -0.01 0.00 0.00 57.00 54.35 1xw3 n GLN 88 Cb 0.42 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1xw3 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xw3 n GLY 89 N -0.34 0.75 3.77 1.08 0.00 -0.12 -5.03 105.19 105.29 1xw3 n GLY 89 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1xw3 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xw3 s GLY 90 N -1.63 2.91 -0.07 -0.02 0.00 -0.01 -4.62 107.32 103.87 1xw3 s GLY 90 Ca 0.00 1.28 -0.18 0.00 0.00 0.00 0.00 44.72 45.82 1xw3 s GLY 90 CO 0.00 1.85 0.47 0.99 0.00 0.00 0.00 173.10 176.41 1xw3 s ASP 91 N -0.75 6.75 -0.03 1.64 1.11 -1.26 -0.02 116.67 124.11 1xw3 s ASP 91 Ca 0.60 0.89 0.02 0.00 0.18 0.00 0.00 52.55 54.24 1xw3 s ASP 91 Cb -0.39 -2.29 0.01 0.00 1.07 0.00 0.00 42.92 41.32 1xw3 s ASP 91 CO 0.49 0.10 -0.07 -0.31 1.18 0.00 0.00 175.17 176.56 1xw3 s TYR 92 N 0.07 0.84 -0.29 4.23 1.51 -0.03 -4.99 117.35 118.68 1xw3 s TYR 92 Ca 0.26 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 1xw3 s TYR 92 Cb -0.16 -0.63 0.08 0.00 -0.11 0.00 0.00 41.96 41.14 1xw3 s TYR 92 CO 0.12 -0.11 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.37 1xw3 s PHE 93 N 0.35 3.12 -0.10 2.71 0.08 -1.26 -0.59 117.98 122.28 1xw3 s PHE 93 Ca -0.05 -2.41 -0.09 0.00 0.12 0.00 0.00 56.93 54.50 1xw3 s PHE 93 Cb -0.09 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 1xw3 s PHE 93 CO 0.00 -0.88 0.21 0.71 -0.10 0.00 0.00 175.22 175.16 1xw3 s TYR 94 N 1.14 3.60 -0.16 0.36 2.02 -0.16 -0.55 117.35 123.59 1xw3 s TYR 94 Ca 0.01 0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 57.33 1xw3 s TYR 94 Cb -0.19 -2.06 0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1xw3 s TYR 94 CO -0.08 0.65 -0.07 0.45 -1.57 0.00 0.00 175.55 174.93 1xw3 s SER 95 N -0.82 2.81 -0.12 2.29 0.15 0.01 -0.95 113.70 117.07 1xw3 s SER 95 Ca 0.16 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1xw3 s SER 95 Cb -0.13 -0.95 -0.08 0.00 -1.71 0.00 0.00 66.02 63.14 1xw3 s SER 95 CO 0.06 -0.17 -0.09 0.49 1.20 0.00 0.00 173.24 174.73 1xw3 n PHE 96 N 4.86 0.00 -1.72 3.44 3.72 -1.26 -4.42 117.46 122.07 1xw3 n PHE 96 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1xw3 n PHE 96 Cb 0.48 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1xw3 n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xw3 n GLY 97 N 2.85 2.93 2.28 1.37 0.00 -1.26 -4.69 105.19 108.67 1xw3 n GLY 97 Ca -0.21 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 1xw3 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xw3 n GLY 98 N 5.00 0.41 0.29 -0.02 0.00 -1.26 -4.89 105.19 104.72 1xw3 n GLY 98 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1xw3 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xw3 h HIS 100 N 0.87 0.53 -0.68 0.00 3.86 -1.91 -0.32 115.15 117.50 1xw3 h HIS 100 Ca 0.13 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1xw3 h HIS 100 Cb 0.70 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 1xw3 h HIS 100 CO 0.05 0.81 0.43 0.00 0.86 0.00 0.00 177.93 180.08 1xw3 h ARG 101 N 0.10 0.83 -0.43 2.45 3.08 -1.93 0.10 114.38 118.57 1xw3 h ARG 101 Ca 0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1xw3 h ARG 101 Cb 0.72 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1xw3 h ARG 101 CO 0.05 0.55 0.26 -0.92 -1.07 0.00 0.00 179.97 178.83 1xw3 h TYR 102 N 0.85 0.57 -0.97 3.04 3.20 -0.63 -1.31 116.97 121.71 1xw3 h TYR 102 Ca 0.26 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1xw3 h TYR 102 Cb -0.02 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 1xw3 h TYR 102 CO -0.04 0.40 0.64 0.00 -1.64 0.00 0.00 178.16 177.52 1xw3 h ALA 103 N 1.12 1.24 -0.28 1.82 0.00 -0.65 -1.06 119.26 121.45 1xw3 h ALA 103 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xw3 h ALA 103 Cb -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1xw3 h ALA 103 CO -0.03 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.92 1xw3 h ALA 104 N 1.35 0.37 -0.59 0.00 0.00 -0.59 0.11 119.26 119.91 1xw3 h ALA 104 Ca 0.36 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1xw3 h ALA 104 Cb -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1xw3 h ALA 104 CO -0.08 0.03 0.15 1.88 0.00 0.00 0.00 179.25 181.24 1xw3 h TYR 105 N 0.28 0.94 -0.29 0.00 -1.99 -0.95 -1.25 116.97 113.71 1xw3 h TYR 105 Ca 0.09 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1xw3 h TYR 105 Cb 0.30 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 1xw3 h TYR 105 CO 0.02 0.77 0.18 1.96 -0.00 0.00 0.00 178.16 181.09 1xw3 h GLN 106 N 0.87 0.36 0.00 4.88 4.20 -0.97 -1.52 115.11 122.93 1xw3 h GLN 106 Ca 0.19 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1xw3 h GLN 106 Cb 0.30 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1xw3 h GLN 106 CO -0.00 0.24 -0.12 1.96 -0.67 0.00 0.00 178.83 180.24 1xw3 h GLN 107 N 0.37 0.00 -0.05 1.46 4.20 -0.49 -0.05 115.11 120.55 1xw3 h GLN 107 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1xw3 h GLN 107 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1xw3 h GLN 107 CO -0.03 0.12 0.00 1.28 -0.67 0.00 0.00 178.83 179.53 1xw3 n LEU 108 N -4.06 0.88 -3.36 1.46 4.77 -0.51 -4.92 117.00 111.25 1xw3 n LEU 108 Ca -0.02 -0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 55.38 1xw3 n LEU 108 Cb 0.21 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1xw3 n LEU 108 CO 0.33 0.17 0.08 0.00 -1.33 0.00 0.00 177.39 176.64 1xw3 n GLN 109 N -0.26 -5.74 -2.84 3.23 6.02 -0.03 -4.95 117.38 112.82 1xw3 n GLN 109 Ca 0.18 0.79 -0.35 0.00 -0.01 0.00 0.00 57.00 57.62 1xw3 n GLN 109 Cb 0.23 -5.70 -0.07 0.00 1.02 0.00 0.00 30.24 25.72 1xw3 n GLN 109 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xw3 s ARG 110 N -6.05 4.35 0.02 -1.09 1.81 -0.62 -4.97 118.95 112.40 1xw3 s ARG 110 Ca 0.45 1.16 -0.12 0.00 -1.72 0.00 0.00 55.73 55.50 1xw3 s ARG 110 Cb -0.21 -2.47 -0.33 0.00 -0.45 0.00 0.00 34.95 31.50 1xw3 s ARG 110 CO 0.56 0.12 0.96 1.49 -0.68 0.00 0.00 175.30 177.74 1xw3 h GLU 111 N 2.49 0.44 -5.91 3.54 4.57 -1.92 -3.45 114.58 114.34 1xw3 h GLU 111 Ca -0.48 -0.76 -0.57 0.00 -1.18 0.00 0.00 59.36 56.37 1xw3 h GLU 111 Cb 1.18 0.28 -0.14 0.00 -0.16 0.00 0.00 28.75 29.92 1xw3 h GLU 111 CO 0.63 1.35 -0.72 0.95 -1.18 0.00 0.00 179.01 180.05 1xw3 s THR 112 N -2.61 2.16 -0.01 0.32 -4.23 -1.26 -1.45 115.64 108.56 1xw3 s THR 112 Ca -0.09 -2.27 0.02 0.00 -1.18 0.00 0.00 61.69 58.16 1xw3 s THR 112 Cb 0.05 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.50 1xw3 s THR 112 CO 0.91 -0.35 -0.05 -0.51 -0.54 0.00 0.00 174.62 174.08 1xw3 s ILE 113 N -2.69 0.42 0.07 2.99 2.07 -0.04 -4.83 121.20 119.19 1xw3 s ILE 113 Ca 0.29 -0.21 -0.31 0.00 -1.41 0.00 0.00 60.65 59.02 1xw3 s ILE 113 Cb -0.01 -0.37 -0.09 0.00 0.13 0.00 0.00 42.46 42.13 1xw3 s ILE 113 CO 0.14 0.13 1.74 -2.84 -1.91 0.00 0.00 174.94 172.19 1xw3 s PRO 114 N -0.00 4.17 -0.00 3.50 0.02 -1.26 -1.27 135.00 140.16 1xw3 s PRO 114 Ca 0.01 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.48 1xw3 s PRO 114 Cb -0.03 -3.69 -0.01 0.00 0.02 0.00 0.00 34.50 30.78 1xw3 s PRO 114 CO -0.00 -0.80 -0.09 0.00 -0.33 0.00 0.00 177.00 175.78 1xw3 s ALA 115 N 2.99 0.76 -0.54 -1.55 0.00 0.70 -1.69 121.76 122.43 1xw3 s ALA 115 Ca 0.77 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1xw3 s ALA 115 Cb -0.41 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.58 1xw3 s ALA 115 CO 0.34 0.18 0.83 0.21 0.00 0.00 0.00 175.76 177.32 1xw3 s LYS 116 N -0.30 3.24 -0.49 0.00 2.20 0.10 -0.36 119.74 124.13 1xw3 s LYS 116 Ca 0.03 -0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 54.83 1xw3 s LYS 116 Cb -0.04 -4.08 0.03 0.00 -1.51 0.00 0.00 37.83 32.23 1xw3 s LYS 116 CO -0.00 -1.42 1.09 -0.51 -0.36 0.00 0.00 175.35 174.15 1xw3 s LEU 117 N 3.49 3.70 -0.31 5.43 1.43 0.85 -1.05 118.68 132.23 1xw3 s LEU 117 Ca 0.24 0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 1xw3 s LEU 117 Cb -0.15 -3.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 1xw3 s LEU 117 CO 0.16 -1.25 0.16 -0.69 0.23 0.00 0.00 176.35 174.96 1xw3 s VAL 118 N 4.38 4.71 0.16 -1.59 1.01 0.78 -1.63 120.40 128.21 1xw3 s VAL 118 Ca 0.44 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.76 1xw3 s VAL 118 Cb -0.08 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 1xw3 s VAL 118 CO 0.29 0.09 1.69 -1.10 0.00 0.00 0.00 175.10 176.07 1xw3 s GLN 119 N 1.64 4.16 0.17 2.72 -0.21 -0.01 -0.81 119.66 127.31 1xw3 s GLN 119 Ca 0.05 2.50 -0.04 0.00 0.02 0.00 0.00 55.36 57.89 1xw3 s GLN 119 Cb -0.17 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 1xw3 s GLN 119 CO 0.07 -0.72 0.17 -1.12 -2.12 0.00 0.00 175.29 171.57 1xw3 s SER 120 N 1.61 0.16 0.40 5.90 0.01 -0.12 -4.70 113.70 116.96 1xw3 s SER 120 Ca 0.74 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.95 1xw3 s SER 120 Cb -0.46 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1xw3 s SER 120 CO 0.33 -0.83 0.19 0.42 0.41 0.00 0.00 173.24 173.75 1xw3 s THR 121 N -4.05 2.47 0.36 1.44 -4.23 -1.26 -4.30 115.64 106.07 1xw3 s THR 121 Ca 0.25 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1xw3 s THR 121 Cb 0.05 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 71.20 1xw3 s THR 121 CO 0.04 -0.04 1.96 -0.07 -0.54 0.00 0.00 174.62 175.97 1xw3 h LEU 122 N 1.41 0.69 -0.87 4.79 3.38 -1.98 -0.72 115.31 122.00 1xw3 h LEU 122 Ca -0.43 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1xw3 h LEU 122 Cb 1.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1xw3 h LEU 122 CO 0.67 0.45 -0.01 0.28 0.09 0.00 0.00 178.44 179.92 1xw3 h SER 123 N 0.78 0.80 -0.43 -0.43 0.02 -1.99 -0.04 113.55 112.26 1xw3 h SER 123 Ca 0.31 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1xw3 h SER 123 Cb 0.23 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1xw3 h SER 123 CO -0.10 0.87 0.26 0.44 -1.14 0.00 0.00 176.83 177.15 1xw3 h ASP 124 N 0.77 0.42 -0.88 3.07 3.32 -1.67 -2.80 116.42 118.65 1xw3 h ASP 124 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xw3 h ASP 124 Cb 0.47 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1xw3 h ASP 124 CO 0.02 0.30 0.57 0.25 -1.72 0.00 0.00 179.24 178.66 1xw3 h LEU 125 N 0.52 1.03 -2.33 1.55 5.85 -0.54 -2.87 115.31 118.52 1xw3 h LEU 125 Ca 0.17 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xw3 h LEU 125 Cb 0.00 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 1xw3 h LEU 125 CO -0.07 0.77 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.68 1xw3 h ARG 126 N 1.21 0.00 -0.97 1.25 2.43 -0.76 0.70 114.38 118.25 1xw3 h ARG 126 Ca 0.32 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.54 1xw3 h ARG 126 Cb -0.11 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 1xw3 h ARG 126 CO -0.07 0.03 0.63 0.28 -1.51 0.00 0.00 179.97 179.33 1xw3 h VAL 127 N 0.00 1.13 0.12 0.20 2.07 -1.38 -0.80 116.25 117.59 1xw3 h VAL 127 Ca -0.00 -0.41 -0.23 0.00 0.82 0.00 0.00 66.70 66.88 1xw3 h VAL 127 Cb 0.20 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1xw3 h VAL 127 CO 0.00 0.22 -1.12 1.88 0.02 0.00 0.00 177.57 178.57 1xw3 h TYR 128 N 1.19 0.46 0.00 1.57 -1.99 -1.07 -3.42 116.97 113.72 1xw3 h TYR 128 Ca 0.40 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1xw3 h TYR 128 Cb 0.06 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1xw3 h TYR 128 CO -0.01 1.44 -1.52 1.28 -0.00 0.00 0.00 178.16 179.35 1xw3 n LEU 129 N -4.04 0.47 0.00 3.88 4.77 -0.30 -5.04 117.00 116.74 1xw3 n LEU 129 Ca -0.20 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1xw3 n LEU 129 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1xw3 n LEU 129 CO 0.43 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1xw3 n GLY 130 N 1.38 3.48 0.25 -0.72 0.00 -0.31 -1.04 105.19 108.22 1xw3 n GLY 130 Ca -0.00 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.21 1xw3 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xw3 h ALA 131 N -0.72 1.00 0.00 4.61 0.00 -1.96 -1.72 119.26 120.47 1xw3 h ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xw3 h ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xw3 h ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1xw3 n SER 132 N -2.81 0.00 -4.68 0.00 7.64 -0.21 -4.89 113.62 108.67 1xw3 n SER 132 Ca -0.00 -0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 1xw3 n SER 132 Cb 0.20 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1xw3 n SER 132 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xw3 s THR 133 N -2.28 3.23 0.53 0.44 2.01 -0.65 -4.96 115.64 113.96 1xw3 s THR 133 Ca 0.32 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.67 1xw3 s THR 133 Cb 0.18 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 1xw3 s THR 133 CO 0.35 -0.02 1.00 -2.16 -0.69 0.00 0.00 174.62 173.09 1xw3 s PRO 134 N 3.32 3.86 -1.40 4.92 0.04 -1.26 -4.95 135.00 139.52 1xw3 s PRO 134 Ca 0.75 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.66 1xw3 s PRO 134 Cb -0.38 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.12 1xw3 s PRO 134 CO 0.32 -0.35 2.11 -3.47 0.04 0.00 0.00 177.00 175.65 1xw3 n ASP 135 N -1.63 4.26 -4.69 6.66 2.03 -1.26 -4.97 116.55 116.95 1xw3 n ASP 135 Ca 0.07 -2.92 -0.44 0.00 0.52 0.00 0.00 54.79 52.02 1xw3 n ASP 135 Cb 0.54 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 1xw3 n ASP 135 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xw3 n LEU 136 N 5.52 3.43 -0.66 -2.67 4.77 -1.26 -4.88 117.00 121.26 1xw3 n LEU 136 Ca 0.48 1.13 0.08 0.00 -0.03 0.00 0.00 56.01 57.68 1xw3 n LEU 136 Cb 0.38 -1.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1xw3 n LEU 136 CO 0.87 -0.29 0.51 0.00 -1.33 0.00 0.00 177.39 177.15