#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwo s ILE 2 N 0.00 2.44 0.16 0.52 1.01 -1.26 -0.82 121.20 123.25 2pwo s ILE 2 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2pwo s ILE 2 Cb 0.00 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2pwo s ILE 2 CO 0.00 0.56 -0.06 0.68 0.00 0.00 0.00 174.94 176.11 2pwo s VAL 3 N 0.04 1.01 -0.15 2.92 -7.23 0.44 -4.92 120.40 112.51 2pwo s VAL 3 Ca -0.08 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 2pwo s VAL 3 Cb -0.15 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2pwo s VAL 3 CO 0.05 -0.65 0.25 -1.58 -0.31 0.00 0.00 175.10 172.87 2pwo s GLN 4 N -3.80 4.11 0.84 4.82 0.74 -1.26 -0.80 119.66 124.31 2pwo s GLN 4 Ca 0.19 0.04 -0.09 0.00 0.05 0.00 0.00 55.36 55.55 2pwo s GLN 4 Cb 0.04 -3.38 0.18 0.00 1.10 0.00 0.00 33.01 30.96 2pwo s GLN 4 CO 0.02 0.36 1.15 0.27 -0.55 0.00 0.00 175.29 176.53 2pwo n ASN 5 N 3.22 0.65 0.25 6.67 0.23 -0.10 -4.91 115.26 121.25 2pwo n ASN 5 Ca -0.14 -1.76 0.17 0.00 -0.53 0.00 0.00 54.58 52.32 2pwo n ASN 5 Cb 0.52 -0.83 0.72 0.00 -2.08 0.00 0.00 39.78 38.11 2pwo n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2pwo h LEU 6 N 0.00 0.00 -0.11 -4.53 3.38 -1.98 -1.11 115.31 110.96 2pwo h LEU 6 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2pwo h LEU 6 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2pwo h LEU 6 CO 0.32 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.64 2pwo n GLN 7 N -2.83 0.29 -0.35 1.13 3.00 -1.26 -4.93 117.38 112.42 2pwo n GLN 7 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2pwo n GLN 7 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2pwo n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pwo n GLY 8 N 1.41 0.83 3.91 1.08 0.00 -0.42 -5.06 105.19 106.94 2pwo n GLY 8 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2pwo n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwo s GLN 9 N -0.65 3.41 -0.06 1.61 -1.52 -1.26 -4.82 119.66 116.36 2pwo s GLN 9 Ca 0.00 -0.46 -0.24 0.00 -1.95 0.00 0.00 55.36 52.71 2pwo s GLN 9 Cb 0.00 -3.02 -0.04 0.00 -0.22 0.00 0.00 33.01 29.73 2pwo s GLN 9 CO 0.00 0.60 0.72 -1.64 -0.25 0.00 0.00 175.29 174.73 2pwo s MET 10 N -2.53 4.45 0.09 2.91 -1.94 -1.26 -0.93 119.30 120.09 2pwo s MET 10 Ca 0.35 0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 55.24 2pwo s MET 10 Cb -0.13 -3.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 2pwo s MET 10 CO 0.28 0.07 0.01 0.14 -0.01 0.00 0.00 175.02 175.51 2pwo s VAL 11 N 0.77 0.17 0.32 -6.03 -7.23 0.02 -4.95 120.40 103.46 2pwo s VAL 11 Ca 0.39 -1.86 -0.27 0.00 -1.81 0.00 0.00 61.98 58.42 2pwo s VAL 11 Cb -0.18 -1.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.87 2pwo s VAL 11 CO 0.19 -0.72 0.98 -2.28 -0.31 0.00 0.00 175.10 172.96 2pwo s HIS 12 N -3.98 3.65 -0.08 2.82 2.46 -1.26 -0.42 115.29 118.48 2pwo s HIS 12 Ca 0.16 1.77 0.03 0.00 0.47 0.00 0.00 55.06 57.49 2pwo s HIS 12 Cb 0.08 -3.01 0.01 0.00 -0.13 0.00 0.00 32.58 29.53 2pwo s HIS 12 CO -0.04 0.02 -0.15 -1.14 -2.47 0.00 0.00 174.74 170.96 2pwo s GLN 13 N -1.93 2.05 0.70 2.88 0.74 0.00 -4.83 119.66 119.26 2pwo s GLN 13 Ca 0.49 -0.53 -0.17 0.00 0.05 0.00 0.00 55.36 55.20 2pwo s GLN 13 Cb -0.22 -1.65 0.02 0.00 1.10 0.00 0.00 33.01 32.26 2pwo s GLN 13 CO 0.27 0.06 1.27 0.00 -0.55 0.00 0.00 175.29 176.35 2pwo n ALA 14 N 3.76 0.82 -1.60 1.58 0.00 -1.26 -0.18 120.51 123.63 2pwo n ALA 14 Ca -0.22 -0.09 -0.48 0.00 0.00 0.00 0.00 53.44 52.65 2pwo n ALA 14 Cb 0.52 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 2pwo n ALA 14 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2pwo n ILE 15 N -2.31 0.77 -1.82 0.00 5.41 -1.26 -4.60 119.36 115.55 2pwo n ILE 15 Ca 0.15 -0.19 -0.32 0.00 1.00 0.00 0.00 62.75 63.39 2pwo n ILE 15 Cb 0.49 -1.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.45 2pwo n ILE 15 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2pwo s SER 16 N 0.15 5.50 0.22 4.38 1.04 -1.26 -4.83 113.70 118.90 2pwo s SER 16 Ca 0.74 1.77 -0.13 0.00 0.48 0.00 0.00 55.95 58.81 2pwo s SER 16 Cb -0.81 -2.52 0.26 0.00 0.10 0.00 0.00 66.02 63.04 2pwo s SER 16 CO 0.50 -1.36 1.62 -0.65 0.98 0.00 0.00 173.24 174.34 2pwo h PRO 17 N -0.07 0.00 -0.62 4.02 0.11 -1.99 -0.65 132.00 132.80 2pwo h PRO 17 Ca -0.46 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 2pwo h PRO 17 Cb 1.22 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 2pwo h PRO 17 CO 0.56 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.19 2pwo h ARG 18 N 0.00 -0.02 0.02 1.05 3.08 -1.99 0.18 114.38 116.70 2pwo h ARG 18 Ca 0.32 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.18 2pwo h ARG 18 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 2pwo h ARG 18 CO -0.68 -0.01 -0.78 1.15 -1.07 0.00 0.00 179.97 178.58 2pwo h THR 19 N -0.02 1.38 -0.48 2.04 2.02 -1.77 -2.02 112.91 114.06 2pwo h THR 19 Ca 0.30 -2.18 -0.07 0.00 0.77 0.00 0.00 66.41 65.22 2pwo h THR 19 Cb 0.47 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 2pwo h THR 19 CO -0.65 0.65 0.03 0.25 0.37 0.00 0.00 175.52 176.17 2pwo h LEU 20 N 0.04 0.81 -0.43 2.58 5.85 -0.98 -1.14 115.31 122.04 2pwo h LEU 20 Ca -0.10 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.41 2pwo h LEU 20 Cb 1.48 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 2pwo h LEU 20 CO 0.15 0.90 -0.19 0.78 -0.34 0.00 0.00 178.44 179.74 2pwo h ASN 21 N 0.70 -0.66 -0.64 1.25 2.35 -0.68 -1.23 115.58 116.66 2pwo h ASN 21 Ca 0.14 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 2pwo h ASN 21 Cb 0.47 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 2pwo h ASN 21 CO 0.02 -0.22 0.26 0.00 -1.65 0.00 0.00 177.43 175.84 2pwo h ALA 22 N 1.20 0.84 -0.59 -0.83 0.00 -1.01 -1.69 119.26 117.19 2pwo h ALA 22 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pwo h ALA 22 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2pwo h ALA 22 CO -0.50 0.45 0.27 2.35 0.00 0.00 0.00 179.25 181.83 2pwo h TRP 23 N 0.91 0.86 -0.75 0.00 2.91 -0.71 -1.23 115.95 117.94 2pwo h TRP 23 Ca 0.22 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.17 2pwo h TRP 23 Cb 0.20 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.55 2pwo h TRP 23 CO 0.01 0.67 0.39 0.28 -1.03 0.00 0.00 178.44 178.76 2pwo h VAL 24 N 0.80 1.23 -0.62 2.65 2.07 -1.03 -0.97 116.25 120.38 2pwo h VAL 24 Ca 0.20 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2pwo h VAL 24 Cb 0.14 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2pwo h VAL 24 CO -0.02 0.26 0.18 0.11 0.02 0.00 0.00 177.57 178.12 2pwo h LYS 25 N 1.05 0.96 -0.30 1.57 1.57 -0.89 -0.06 116.57 120.47 2pwo h LYS 25 Ca 0.26 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2pwo h LYS 25 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2pwo h LYS 25 CO -0.04 0.83 -0.04 0.28 -0.57 0.00 0.00 179.45 179.91 2pwo h VAL 26 N 0.92 1.27 -0.19 0.50 2.07 -0.73 -1.65 116.25 118.44 2pwo h VAL 26 Ca 0.20 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2pwo h VAL 26 Cb 0.28 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2pwo h VAL 26 CO -0.01 0.33 0.12 0.58 0.02 0.00 0.00 177.57 178.62 2pwo h VAL 27 N 0.34 1.07 -0.85 2.57 2.07 -0.93 0.19 116.25 120.71 2pwo h VAL 27 Ca 0.08 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.57 2pwo h VAL 27 Cb 0.50 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 2pwo h VAL 27 CO 0.02 0.07 0.46 -0.33 0.02 0.00 0.00 177.57 177.81 2pwo h GLU 28 N 0.24 0.68 0.00 1.57 4.39 -0.82 -1.31 114.58 119.32 2pwo h GLU 28 Ca 0.07 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.44 2pwo h GLU 28 Cb 0.00 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2pwo h GLU 28 CO -0.01 0.45 -1.63 1.49 -1.16 0.00 0.00 179.01 178.14 2pwo h GLU 29 N 0.70 0.00 0.00 2.33 4.81 -1.06 -3.43 114.58 117.93 2pwo h GLU 29 Ca 0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2pwo h GLU 29 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2pwo h GLU 29 CO -0.32 0.55 -0.30 1.63 -0.73 0.00 0.00 179.01 179.85 2pwo n LYS 30 N -3.08 3.30 -1.96 1.92 5.02 0.66 -5.05 118.16 118.97 2pwo n LYS 30 Ca -0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 2pwo n LYS 30 Cb 1.04 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 2pwo n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwo s ALA 31 N -0.89 3.72 -0.46 7.82 0.00 -0.50 -0.26 121.76 131.18 2pwo s ALA 31 Ca 0.00 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.38 2pwo s ALA 31 Cb 0.00 -3.60 0.40 0.00 0.00 0.00 0.00 23.12 19.93 2pwo s ALA 31 CO 0.00 -0.77 1.06 1.19 0.00 0.00 0.00 175.76 177.24 2pwo n PHE 32 N 3.35 3.33 -0.81 0.00 3.72 -1.26 -5.02 117.46 120.77 2pwo n PHE 32 Ca 0.11 -3.30 -0.30 0.00 -0.05 0.00 0.00 57.45 53.91 2pwo n PHE 32 Cb 0.39 -0.20 0.17 0.00 -0.94 0.00 0.00 39.48 38.90 2pwo n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pwo s SER 33 N -3.47 2.82 0.52 4.37 1.04 0.63 -4.07 113.70 115.54 2pwo s SER 33 Ca 0.47 1.92 0.28 0.00 0.48 0.00 0.00 55.95 59.09 2pwo s SER 33 Cb 0.38 -2.46 1.40 0.00 0.10 0.00 0.00 66.02 65.43 2pwo s SER 33 CO -0.16 -3.12 1.92 -0.65 0.98 0.00 0.00 173.24 172.21 2pwo h PRO 34 N -1.88 0.06 0.00 4.02 0.11 -1.86 -0.94 132.00 131.50 2pwo h PRO 34 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2pwo h PRO 34 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2pwo h PRO 34 CO 0.46 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 2pwo n GLU 35 N -4.34 0.15 0.14 1.05 4.71 -1.26 -1.97 120.64 119.12 2pwo n GLU 35 Ca 0.16 0.52 0.00 0.00 -0.01 0.00 0.00 57.16 57.83 2pwo n GLU 35 Cb 0.82 -1.87 0.17 0.00 -1.01 0.00 0.00 31.44 29.54 2pwo n GLU 35 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 2pwo h VAL 36 N 0.00 1.30 0.01 2.62 3.04 -1.39 -3.37 116.25 118.46 2pwo h VAL 36 Ca 0.00 -2.15 -0.00 0.00 -1.01 0.00 0.00 66.70 63.54 2pwo h VAL 36 Cb 0.16 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2pwo h VAL 36 CO 0.00 0.59 -0.01 0.40 -1.01 0.00 0.00 177.57 177.54 2pwo h ILE 37 N 0.00 1.40 -0.44 3.17 2.04 -1.58 -0.01 117.51 122.09 2pwo h ILE 37 Ca -0.01 -1.27 0.09 0.00 1.00 0.00 0.00 64.86 64.67 2pwo h ILE 37 Cb 1.15 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 2pwo h ILE 37 CO 0.08 0.33 0.30 -0.65 0.00 0.00 0.00 178.15 178.21 2pwo h PRO 38 N -0.57 0.20 -0.18 2.37 0.11 -1.77 -0.24 132.00 131.92 2pwo h PRO 38 Ca -0.00 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 2pwo h PRO 38 Cb 0.55 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2pwo h PRO 38 CO 0.00 0.13 -0.56 0.52 -0.21 0.00 0.00 178.00 177.88 2pwo h MET 39 N 0.20 0.70 -0.50 1.05 2.86 -1.63 -2.12 114.93 115.50 2pwo h MET 39 Ca 0.20 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 2pwo h MET 39 Cb 0.55 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2pwo h MET 39 CO -0.03 1.13 0.28 0.35 1.06 0.00 0.00 176.91 179.70 2pwo h PHE 40 N 0.40 0.67 -0.25 -0.22 3.57 -0.50 0.02 116.94 120.64 2pwo h PHE 40 Ca -0.02 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.53 2pwo h PHE 40 Cb 1.18 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 2pwo h PHE 40 CO 0.09 0.49 -0.12 1.03 -2.23 0.00 0.00 178.31 177.57 2pwo h SER 41 N 0.66 -0.40 -0.02 0.41 0.87 -0.98 -0.66 113.55 113.44 2pwo h SER 41 Ca 0.18 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2pwo h SER 41 Cb 0.03 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2pwo h SER 41 CO -0.03 -0.15 -0.01 0.00 -0.53 0.00 0.00 176.83 176.11 2pwo h ALA 42 N 1.12 0.02 0.00 6.23 0.00 -1.19 -3.07 119.26 122.37 2pwo h ALA 42 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2pwo h ALA 42 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pwo h ALA 42 CO -0.31 -0.25 -0.09 -0.07 0.00 0.00 0.00 179.25 178.53 2pwo h LEU 43 N -0.39 0.00 -1.20 0.00 3.38 -0.78 -1.86 115.31 114.46 2pwo h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pwo h LEU 43 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pwo h LEU 43 CO 0.00 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.09 2pwo n SER 44 N -3.41 1.81 -4.73 -0.43 3.41 -0.27 -4.93 113.62 105.07 2pwo n SER 44 Ca -0.01 -1.73 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 2pwo n SER 44 Cb 0.25 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2pwo n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pwo s GLU 45 N -1.77 4.14 0.00 4.33 0.41 -0.70 -1.31 118.70 123.80 2pwo s GLU 45 Ca 0.33 2.56 0.00 0.00 -0.41 0.00 0.00 54.97 57.45 2pwo s GLU 45 Cb 0.18 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 2pwo s GLU 45 CO 0.27 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 2pwo n GLY 46 N 3.56 1.29 3.77 -1.39 0.00 -1.26 -5.01 105.19 106.15 2pwo n GLY 46 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2pwo n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwo s ALA 47 N -3.70 3.28 0.66 4.61 0.00 -0.42 -4.21 121.76 121.97 2pwo s ALA 47 Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 2pwo s ALA 47 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2pwo s ALA 47 CO 0.00 -0.72 1.03 0.95 0.00 0.00 0.00 175.76 177.02 2pwo s THR 48 N -1.27 3.83 0.30 0.00 -4.23 -1.26 -4.39 115.64 108.62 2pwo s THR 48 Ca 0.55 0.45 0.07 0.00 -1.18 0.00 0.00 61.69 61.58 2pwo s THR 48 Cb -0.37 -3.57 0.30 0.00 1.34 0.00 0.00 72.50 70.20 2pwo s THR 48 CO 0.47 -0.71 1.73 -0.65 -0.54 0.00 0.00 174.62 174.92 2pwo h PRO 49 N -0.45 0.54 -0.47 3.99 0.11 -1.85 -0.23 132.00 133.63 2pwo h PRO 49 Ca -0.45 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.67 2pwo h PRO 49 Cb 1.24 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2pwo h PRO 49 CO 0.63 0.36 0.23 0.37 -0.21 0.00 0.00 178.00 179.37 2pwo h GLN 50 N 0.56 0.44 -0.57 1.05 4.15 -1.91 -0.39 115.11 118.44 2pwo h GLN 50 Ca 0.60 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.94 2pwo h GLN 50 Cb 1.10 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 2pwo h GLN 50 CO -0.47 0.29 0.13 -0.44 -1.93 0.00 0.00 178.83 176.41 2pwo h ASP 51 N 0.46 0.83 -0.83 -0.69 3.32 -1.56 -1.76 116.42 116.19 2pwo h ASP 51 Ca 0.21 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2pwo h ASP 51 Cb 0.13 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2pwo h ASP 51 CO -0.15 0.81 0.39 -0.07 -1.72 0.00 0.00 179.24 178.50 2pwo h LEU 52 N 0.85 1.09 -0.89 1.55 3.38 -0.32 -1.35 115.31 119.62 2pwo h LEU 52 Ca 0.18 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2pwo h LEU 52 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2pwo h LEU 52 CO 0.00 0.93 -0.18 0.78 0.09 0.00 0.00 178.44 180.05 2pwo h ASN 53 N 1.18 0.61 -0.53 -0.43 -0.26 -0.72 -0.47 115.58 114.96 2pwo h ASN 53 Ca 0.28 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2pwo h ASN 53 Cb 0.13 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 2pwo h ASN 53 CO -0.03 0.81 0.34 0.74 -1.06 0.00 0.00 177.43 178.22 2pwo h THR 54 N 0.55 1.15 -0.53 2.81 2.02 -0.76 0.24 112.91 118.39 2pwo h THR 54 Ca 0.09 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.00 2pwo h THR 54 Cb 0.63 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2pwo h THR 54 CO 0.04 0.14 0.32 0.24 0.37 0.00 0.00 175.52 176.64 2pwo h MET 55 N 0.72 0.63 -0.29 6.66 2.86 -0.64 -2.38 114.93 122.49 2pwo h MET 55 Ca 0.19 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.67 2pwo h MET 55 Cb -0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 2pwo h MET 55 CO -0.04 0.41 -0.35 -0.07 1.06 0.00 0.00 176.91 177.93 2pwo h LEU 56 N 0.64 0.66 -0.48 1.22 3.38 -0.76 -2.95 115.31 117.03 2pwo h LEU 56 Ca 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2pwo h LEU 56 Cb 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2pwo h LEU 56 CO -0.09 0.95 0.00 0.59 0.09 0.00 0.00 178.44 179.98 2pwo n ASN 57 N -4.06 0.73 -0.20 -0.43 3.02 0.04 -2.48 115.26 111.88 2pwo n ASN 57 Ca -0.01 -1.31 0.13 0.00 -0.03 0.00 0.00 54.58 53.36 2pwo n ASN 57 Cb 0.49 -0.01 0.42 0.00 -0.61 0.00 0.00 39.78 40.07 2pwo n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2pwo n THR 58 N -0.40 0.00 -2.36 3.41 -2.24 -0.91 -4.88 114.28 106.90 2pwo n THR 58 Ca 0.20 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 2pwo n THR 58 Cb 0.22 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 2pwo n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pwo s VAL 59 N -2.53 4.16 -0.07 2.28 1.01 -1.04 -4.99 120.40 119.23 2pwo s VAL 59 Ca 0.24 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.57 2pwo s VAL 59 Cb 0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2pwo s VAL 59 CO 0.52 -0.17 0.15 -0.83 0.00 0.00 0.00 175.10 174.77 2pwo s GLY 60 N 2.32 2.14 0.00 4.51 0.00 -1.26 -4.91 107.32 110.12 2pwo s GLY 60 Ca 0.58 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2pwo s GLY 60 CO 0.18 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.38 2pwo n GLY 61 N 1.55 -0.15 4.07 0.20 0.00 -1.26 -4.95 105.19 104.65 2pwo n GLY 61 Ca -0.16 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 2pwo n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pwo n HIS 62 N 0.00 -1.92 -0.11 1.61 -0.00 -1.26 -4.83 115.22 108.70 2pwo n HIS 62 Ca 0.00 0.83 -0.09 0.00 -0.00 0.00 0.00 57.72 58.46 2pwo n HIS 62 Cb 0.00 -3.44 -0.01 0.00 -0.00 0.00 0.00 29.99 26.54 2pwo n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2pwo h GLN 63 N -1.75 0.50 -0.47 -0.41 4.20 -1.95 0.87 115.11 116.10 2pwo h GLN 63 Ca -0.59 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.08 2pwo h GLN 63 Cb 1.38 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.03 2pwo h GLN 63 CO 0.72 0.46 0.24 0.00 -0.67 0.00 0.00 178.83 179.58 2pwo h ALA 64 N 1.01 0.59 -0.57 3.87 0.00 -2.00 -0.60 119.26 121.57 2pwo h ALA 64 Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2pwo h ALA 64 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2pwo h ALA 64 CO -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 2pwo h ALA 65 N 1.25 0.77 -0.32 0.00 0.00 -1.86 -1.80 119.26 117.31 2pwo h ALA 65 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2pwo h ALA 65 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2pwo h ALA 65 CO -0.14 0.64 -0.15 0.52 0.00 0.00 0.00 179.25 180.12 2pwo h MET 66 N 0.92 0.56 -0.60 0.00 2.07 -0.45 -0.10 114.93 117.33 2pwo h MET 66 Ca 0.16 -0.18 -0.06 0.00 -2.07 0.00 0.00 59.70 57.54 2pwo h MET 66 Cb 0.60 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.26 2pwo h MET 66 CO 0.04 0.69 0.13 0.37 1.07 0.00 0.00 176.91 179.21 2pwo h GLN 67 N 0.51 0.98 -0.57 1.72 5.75 -0.84 -1.11 115.11 121.54 2pwo h GLN 67 Ca 0.09 -0.25 -0.09 0.00 -0.15 0.00 0.00 58.65 58.26 2pwo h GLN 67 Cb 0.56 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2pwo h GLN 67 CO 0.04 0.90 0.01 0.52 -2.65 0.00 0.00 178.83 177.65 2pwo h MET 68 N 0.88 0.97 -0.36 1.69 2.86 -0.89 -1.70 114.93 118.38 2pwo h MET 68 Ca 0.19 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2pwo h MET 68 Cb 0.38 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2pwo h MET 68 CO 0.01 0.95 0.09 1.25 1.06 0.00 0.00 176.91 180.26 2pwo h LEU 69 N 0.89 0.55 -0.53 1.22 5.85 -0.81 -1.22 115.31 121.27 2pwo h LEU 69 Ca 0.17 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2pwo h LEU 69 Cb 0.51 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2pwo h LEU 69 CO 0.02 0.64 0.23 0.50 -0.34 0.00 0.00 178.44 179.50 2pwo h LYS 70 N 0.44 0.43 -0.60 1.25 3.64 -1.05 -0.82 116.57 119.86 2pwo h LYS 70 Ca 0.11 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2pwo h LYS 70 Cb 0.30 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2pwo h LYS 70 CO 0.00 0.29 0.37 0.93 -2.27 0.00 0.00 179.45 178.76 2pwo h GLU 71 N 0.45 0.70 -0.43 1.90 5.08 -0.99 -0.34 114.58 120.94 2pwo h GLU 71 Ca 0.25 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2pwo h GLU 71 Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2pwo h GLU 71 CO -0.21 0.46 0.23 1.15 -1.00 0.00 0.00 179.01 179.64 2pwo h THR 72 N 0.72 1.16 -0.55 1.13 2.02 -0.81 -0.63 112.91 115.96 2pwo h THR 72 Ca 0.24 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2pwo h THR 72 Cb 0.03 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2pwo h THR 72 CO -0.11 0.17 0.25 0.40 0.37 0.00 0.00 175.52 176.61 2pwo h ILE 73 N 0.56 1.21 -0.64 3.11 2.04 -0.69 -0.87 117.51 122.24 2pwo h ILE 73 Ca 0.15 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2pwo h ILE 73 Cb 0.07 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2pwo h ILE 73 CO -0.02 0.24 0.14 0.78 0.00 0.00 0.00 178.15 179.29 2pwo h ASN 74 N 0.75 0.96 -0.52 1.72 2.35 -0.80 0.00 115.58 120.04 2pwo h ASN 74 Ca 0.19 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2pwo h ASN 74 Cb 0.14 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2pwo h ASN 74 CO -0.02 0.93 0.10 -0.08 -1.65 0.00 0.00 177.43 176.71 2pwo h GLU 75 N 0.96 0.85 -0.51 0.81 4.57 -0.71 -2.03 114.58 118.52 2pwo h GLU 75 Ca 0.20 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2pwo h GLU 75 Cb 0.36 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2pwo h GLU 75 CO 0.00 0.83 0.05 0.93 -1.18 0.00 0.00 179.01 179.64 2pwo h GLU 76 N 0.74 0.83 -0.59 1.92 4.39 -0.78 -0.97 114.58 120.11 2pwo h GLU 76 Ca 0.16 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2pwo h GLU 76 Cb 0.38 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2pwo h GLU 76 CO 0.01 0.80 0.18 0.00 -1.16 0.00 0.00 179.01 178.84 2pwo h ALA 77 N 1.27 0.78 -0.20 3.43 0.00 -0.73 0.67 119.26 124.48 2pwo h ALA 77 Ca 0.16 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2pwo h ALA 77 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2pwo h ALA 77 CO 0.01 0.45 -0.55 0.00 0.00 0.00 0.00 179.25 179.16 2pwo h ALA 78 N 1.05 0.65 -0.19 0.00 0.00 -1.09 -2.67 119.26 117.02 2pwo h ALA 78 Ca 0.19 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2pwo h ALA 78 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2pwo h ALA 78 CO -0.01 0.69 -0.41 0.93 0.00 0.00 0.00 179.25 180.46 2pwo h GLU 79 N 0.47 0.45 -0.48 0.00 4.39 -0.99 -2.78 114.58 115.64 2pwo h GLU 79 Ca 0.01 -0.22 0.08 0.00 0.34 0.00 0.00 59.36 59.56 2pwo h GLU 79 Cb 1.11 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.70 2pwo h GLU 79 CO 0.11 0.78 0.11 2.35 -1.16 0.00 0.00 179.01 181.20 2pwo h TRP 80 N 0.37 0.18 -0.81 4.33 2.91 -0.60 -0.94 115.95 121.39 2pwo h TRP 80 Ca 0.03 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 2pwo h TRP 80 Cb 0.87 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 2pwo h TRP 80 CO 0.03 0.02 0.40 -0.44 -1.03 0.00 0.00 178.44 177.42 2pwo h ASP 81 N 0.25 1.04 0.12 2.65 3.32 -1.23 -0.40 116.42 122.17 2pwo h ASP 81 Ca 0.24 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 2pwo h ASP 81 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2pwo h ASP 81 CO -0.29 0.87 -0.42 -0.09 -1.72 0.00 0.00 179.24 177.58 2pwo h ARG 82 N 1.14 0.38 -0.00 3.56 2.43 -1.08 -2.96 114.38 117.85 2pwo h ARG 82 Ca 0.28 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2pwo h ARG 82 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2pwo h ARG 82 CO -0.04 0.74 -0.41 1.28 -1.51 0.00 0.00 179.97 180.03 2pwo n LEU 83 N -4.02 0.72 -3.29 3.80 4.77 -0.44 -4.34 117.00 114.20 2pwo n LEU 83 Ca -0.02 -0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.60 2pwo n LEU 83 Cb 0.50 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 2pwo n LEU 83 CO 0.43 0.15 -0.06 1.41 -1.33 0.00 0.00 177.39 177.99 2pwo n HIS 84 N -1.16 2.11 -1.85 -1.77 8.25 -0.20 -5.08 115.22 115.53 2pwo n HIS 84 Ca 0.08 -3.92 -0.39 0.00 -0.26 0.00 0.00 57.72 53.23 2pwo n HIS 84 Cb 0.34 -0.47 0.03 0.00 1.12 0.00 0.00 29.99 31.00 2pwo n HIS 84 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2pwo s PRO 85 N -2.11 3.42 0.20 -0.41 0.02 -1.24 -4.81 135.00 130.06 2pwo s PRO 85 Ca 0.39 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.66 2pwo s PRO 85 Cb 0.18 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 2pwo s PRO 85 CO -0.06 -0.97 0.03 0.14 -0.33 0.00 0.00 177.00 175.81 2pwo s VAL 86 N -1.29 0.64 0.70 3.83 -7.23 -1.26 -5.15 120.40 110.63 2pwo s VAL 86 Ca 0.67 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.72 2pwo s VAL 86 Cb -0.40 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2pwo s VAL 86 CO 0.49 -0.33 1.09 -1.00 -0.31 0.00 0.00 175.10 175.04 2pwo s HIS 87 N -3.69 2.68 0.59 2.82 3.76 -1.26 -4.91 115.29 115.29 2pwo s HIS 87 Ca 0.28 1.54 0.42 0.00 -0.15 0.00 0.00 55.06 57.15 2pwo s HIS 87 Cb 0.07 -3.08 2.25 0.00 1.11 0.00 0.00 32.58 32.93 2pwo s HIS 87 CO 0.07 -1.63 2.32 0.00 -0.85 0.00 0.00 174.74 174.64 2pwo h ALA 88 N -0.43 1.04 -1.28 -1.40 0.00 -2.05 -3.44 119.26 111.71 2pwo h ALA 88 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pwo h ALA 88 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pwo h ALA 88 CO 0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2pwo n GLY 89 N -0.96 0.00 3.77 0.00 0.00 -1.26 -5.04 105.19 101.70 2pwo n GLY 89 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2pwo n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwo s PRO 90 N 0.00 0.68 -0.05 1.61 0.04 -1.26 -5.11 135.00 130.91 2pwo s PRO 90 Ca 0.00 0.18 -0.17 0.00 0.04 0.00 0.00 61.00 61.05 2pwo s PRO 90 Cb 0.00 -1.80 -0.31 0.00 0.04 0.00 0.00 34.50 32.43 2pwo s PRO 90 CO 0.00 -2.49 0.78 0.82 0.04 0.00 0.00 177.00 176.15 2pwo h ILE 91 N -1.71 1.21 -3.36 0.56 2.04 -1.97 -3.43 117.51 110.86 2pwo h ILE 91 Ca -0.49 -2.53 -0.56 0.00 1.00 0.00 0.00 64.86 62.28 2pwo h ILE 91 Cb 1.32 2.94 -0.05 0.00 -0.74 0.00 0.00 36.82 40.29 2pwo h ILE 91 CO 0.55 0.76 0.06 -1.61 0.00 0.00 0.00 178.15 177.91 2pwo s GLU 92 N -2.51 4.39 0.31 2.37 0.41 -1.26 -5.06 118.70 117.35 2pwo s GLU 92 Ca -0.15 0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 54.99 2pwo s GLU 92 Cb 0.03 -3.35 -0.10 0.00 -1.78 0.00 0.00 34.13 28.93 2pwo s GLU 92 CO 0.84 0.34 1.36 -1.25 -0.49 0.00 0.00 175.26 176.06 2pwo s PRO 93 N -0.15 4.31 -0.91 0.39 0.04 -1.26 -3.43 135.00 133.99 2pwo s PRO 93 Ca 0.34 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.64 2pwo s PRO 93 Cb -0.19 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2pwo s PRO 93 CO 0.20 -0.29 0.15 0.41 0.04 0.00 0.00 177.00 177.51 2pwo n GLY 94 N 1.20 -0.04 0.00 0.56 0.00 -1.26 -5.02 105.19 100.63 2pwo n GLY 94 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2pwo n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pwo n GLN 95 N -2.29 0.00 0.00 1.61 1.13 -1.22 -5.02 117.38 111.60 2pwo n GLN 95 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2pwo n GLN 95 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 2pwo n GLN 95 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2pwo n MET 96 N 0.00 0.00 -1.65 -1.09 0.00 -1.26 -5.15 117.12 107.97 2pwo n MET 96 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.31 2pwo n MET 96 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 2pwo n MET 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2pwo n ARG 97 N 0.00 1.20 -1.91 2.12 1.85 -1.26 -5.00 116.66 113.67 2pwo n ARG 97 Ca 0.00 0.45 -0.38 0.00 -1.00 0.00 0.00 57.85 56.92 2pwo n ARG 97 Cb 0.00 -2.26 0.03 0.00 -1.05 0.00 0.00 32.46 29.18 2pwo n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2pwo s GLU 98 N -2.65 3.37 0.35 2.89 0.41 -1.26 -4.99 118.70 116.81 2pwo s GLU 98 Ca 0.72 2.14 -0.26 0.00 -0.41 0.00 0.00 54.97 57.16 2pwo s GLU 98 Cb -0.44 -2.35 -0.09 0.00 -1.78 0.00 0.00 34.13 29.47 2pwo s GLU 98 CO 0.49 -0.98 1.05 -1.25 -0.49 0.00 0.00 175.26 174.08 2pwo s PRO 99 N -2.79 4.36 0.55 0.39 0.04 -1.26 -5.07 135.00 131.22 2pwo s PRO 99 Ca 0.68 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2pwo s PRO 99 Cb -0.38 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.44 2pwo s PRO 99 CO 0.45 0.02 0.76 1.03 0.04 0.00 0.00 177.00 179.31 2pwo s ARG 100 N -2.12 2.45 0.23 4.56 1.81 -1.26 -4.95 118.95 119.68 2pwo s ARG 100 Ca 0.53 -1.03 -0.06 0.00 -1.72 0.00 0.00 55.73 53.45 2pwo s ARG 100 Cb -0.24 -2.54 0.31 0.00 -0.45 0.00 0.00 34.95 32.02 2pwo s ARG 100 CO 0.31 -0.74 1.84 0.78 -0.68 0.00 0.00 175.30 176.81 2pwo h GLY 101 N 0.12 1.21 2.00 -3.53 0.00 -1.92 0.39 103.07 101.34 2pwo h GLY 101 Ca -0.39 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2pwo h GLY 101 CO 0.48 0.23 0.00 1.48 0.00 0.00 0.00 176.54 178.73 2pwo h SER 102 N 0.89 0.00 -0.07 0.19 4.64 -1.96 -1.02 113.55 116.23 2pwo h SER 102 Ca 0.35 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.46 2pwo h SER 102 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2pwo h SER 102 CO -0.17 0.00 -0.81 0.44 -0.87 0.00 0.00 176.83 175.42 2pwo h ASP 103 N 0.00 0.83 -0.73 4.97 3.32 -1.30 -0.35 116.42 123.16 2pwo h ASP 103 Ca 0.00 -0.69 -0.06 0.00 0.02 0.00 0.00 57.03 56.30 2pwo h ASP 103 Cb 0.46 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2pwo h ASP 103 CO 0.00 1.40 0.20 0.40 -1.72 0.00 0.00 179.24 179.52 2pwo h ILE 104 N 0.34 1.26 0.00 0.35 2.04 -0.61 -2.04 117.51 118.86 2pwo h ILE 104 Ca -0.08 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2pwo h ILE 104 Cb 1.46 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2pwo h ILE 104 CO 0.16 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.68 2pwo n ALA 105 N -2.45 2.54 -1.02 1.87 0.00 -0.45 -4.64 120.51 116.37 2pwo n ALA 105 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 2pwo n ALA 105 Cb 0.25 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 2pwo n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwo n GLY 106 N 0.79 0.46 0.09 0.00 0.00 -0.77 -4.91 105.19 100.85 2pwo n GLY 106 Ca 0.21 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2pwo n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pwo h THR 107 N 0.00 1.26 -0.02 2.61 1.35 -1.33 -3.39 112.91 113.39 2pwo h THR 107 Ca -0.01 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 2pwo h THR 107 Cb 0.17 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2pwo h THR 107 CO 0.02 0.78 0.00 0.35 -0.25 0.00 0.00 175.52 176.42 2pwo n THR 108 N -3.30 0.23 -4.12 6.82 -2.24 -0.69 -5.01 114.28 105.96 2pwo n THR 108 Ca -0.11 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 2pwo n THR 108 Cb 1.01 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 70.09 2pwo n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pwo s SER 109 N -0.37 5.37 0.67 3.42 1.04 -1.26 -4.87 113.70 117.71 2pwo s SER 109 Ca 0.03 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.33 2pwo s SER 109 Cb 0.02 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.71 2pwo s SER 109 CO 0.03 0.21 1.06 0.42 0.98 0.00 0.00 173.24 175.94 2pwo s THR 110 N -1.28 4.10 0.23 2.02 -4.23 -1.26 -4.92 115.64 110.30 2pwo s THR 110 Ca 0.26 0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 61.38 2pwo s THR 110 Cb -0.12 -3.61 0.18 0.00 1.34 0.00 0.00 72.50 70.29 2pwo s THR 110 CO 0.18 -0.89 1.83 0.25 -0.54 0.00 0.00 174.62 175.44 2pwo h LEU 111 N -0.55 0.70 -0.70 4.79 5.85 -1.99 -0.99 115.31 122.42 2pwo h LEU 111 Ca -0.44 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2pwo h LEU 111 Cb 1.22 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 2pwo h LEU 111 CO 0.61 0.44 0.33 1.56 -0.34 0.00 0.00 178.44 181.05 2pwo h GLN 112 N 0.83 0.55 -0.33 1.25 4.20 -1.99 -0.83 115.11 118.78 2pwo h GLN 112 Ca 0.35 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 2pwo h GLN 112 Cb 0.20 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2pwo h GLN 112 CO -0.19 0.36 -0.14 0.93 -0.67 0.00 0.00 178.83 179.13 2pwo h GLU 113 N 0.56 0.68 -0.07 1.46 5.08 -1.81 -0.35 114.58 120.13 2pwo h GLU 113 Ca 0.35 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2pwo h GLU 113 Cb 0.39 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2pwo h GLU 113 CO -0.28 0.88 -0.20 1.96 -1.00 0.00 0.00 179.01 180.37 2pwo h GLN 114 N 0.45 -0.27 -0.77 2.33 4.20 -0.63 -0.55 115.11 119.86 2pwo h GLN 114 Ca 0.08 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2pwo h GLN 114 Cb 0.67 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 2pwo h GLN 114 CO 0.04 -0.18 0.49 0.82 -0.67 0.00 0.00 178.83 179.33 2pwo h ILE 115 N -0.28 1.21 -0.76 2.54 2.04 -1.11 -0.90 117.51 120.24 2pwo h ILE 115 Ca 0.08 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2pwo h ILE 115 Cb 0.40 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2pwo h ILE 115 CO -0.24 0.21 0.48 1.23 0.00 0.00 0.00 178.15 179.83 2pwo h GLY 116 N 1.05 1.11 0.77 5.37 0.00 -0.62 -1.42 103.07 109.33 2pwo h GLY 116 Ca 0.28 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2pwo h GLY 116 CO -0.06 0.30 -0.08 1.49 0.00 0.00 0.00 176.54 178.19 2pwo h TRP 117 N 0.92 0.41 0.00 5.60 6.55 -0.78 -2.12 115.95 126.53 2pwo h TRP 117 Ca 0.31 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 60.03 2pwo h TRP 117 Cb 0.04 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.24 2pwo h TRP 117 CO -0.04 0.66 -0.11 0.52 -1.05 0.00 0.00 178.44 178.43 2pwo h MET 118 N 0.04 0.00 -0.35 0.49 2.86 -0.68 -1.10 114.93 116.19 2pwo h MET 118 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2pwo h MET 118 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2pwo h MET 118 CO 0.02 0.11 0.00 0.25 1.06 0.00 0.00 176.91 178.35 2pwo n THR 119 N -3.61 0.97 -0.97 2.22 -2.24 -0.58 -4.61 114.28 105.46 2pwo n THR 119 Ca -0.02 -0.98 -0.29 0.00 -2.27 0.00 0.00 64.05 60.48 2pwo n THR 119 Cb 0.23 0.52 0.18 0.00 -2.10 0.00 0.00 70.33 69.16 2pwo n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pwo s HIS 120 N -1.00 1.95 -0.30 4.78 5.04 -0.80 -4.90 115.29 120.06 2pwo s HIS 120 Ca 0.24 1.28 0.03 0.00 -1.54 0.00 0.00 55.06 55.07 2pwo s HIS 120 Cb 0.13 -3.18 0.08 0.00 0.04 0.00 0.00 32.58 29.64 2pwo s HIS 120 CO 0.16 -2.89 -0.03 1.21 -2.34 0.00 0.00 174.74 170.86 2pwo s ASN 121 N -3.10 4.63 0.66 9.88 2.47 -1.26 -1.32 114.94 126.90 2pwo s ASN 121 Ca 0.65 -1.75 -0.11 0.00 0.42 0.00 0.00 52.86 52.07 2pwo s ASN 121 Cb -0.20 -1.60 -0.01 0.00 -1.45 0.00 0.00 41.25 37.99 2pwo s ASN 121 CO 0.59 -0.29 1.06 -2.16 -3.72 0.00 0.00 177.10 172.58 2pwo s PRO 122 N 1.02 3.22 0.42 0.43 0.04 -1.26 -5.10 135.00 133.77 2pwo s PRO 122 Ca 0.01 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 2pwo s PRO 122 Cb -0.20 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2pwo s PRO 122 CO -0.06 -0.82 1.38 -2.14 0.04 0.00 0.00 177.00 175.40 2pwo s PRO 123 N -5.24 3.85 -0.57 0.56 0.02 -0.44 -4.98 135.00 128.19 2pwo s PRO 123 Ca 0.57 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.81 2pwo s PRO 123 Cb -0.11 -2.73 0.15 0.00 0.02 0.00 0.00 34.50 31.82 2pwo s PRO 123 CO 0.53 -0.65 0.45 0.42 -0.33 0.00 0.00 177.00 177.43 2pwo s ILE 124 N -1.22 4.48 -1.39 2.83 1.01 -0.46 -4.96 121.20 121.49 2pwo s ILE 124 Ca 0.58 -2.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.00 2pwo s ILE 124 Cb -0.42 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.22 2pwo s ILE 124 CO 0.54 -0.85 2.03 -0.81 0.00 0.00 0.00 174.94 175.85 2pwo n PRO 125 N 4.53 3.02 0.23 2.79 -0.04 -1.26 -3.38 135.00 140.89 2pwo n PRO 125 Ca -0.02 -2.91 0.08 0.00 -0.04 0.00 0.00 63.50 60.62 2pwo n PRO 125 Cb 0.41 -3.33 0.54 0.00 -0.04 0.00 0.00 33.50 31.08 2pwo n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pwo h VAL 126 N 4.50 0.82 -0.23 0.52 -1.51 -1.89 0.44 116.25 118.89 2pwo h VAL 126 Ca 0.51 -0.92 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 2pwo h VAL 126 Cb 0.72 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 2pwo h VAL 126 CO 1.72 0.23 -0.04 1.23 -1.23 0.00 0.00 177.57 179.48 2pwo h GLY 127 N 1.19 0.47 1.26 5.19 0.00 -1.85 -1.38 103.07 107.94 2pwo h GLY 127 Ca -0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2pwo h GLY 127 CO 0.03 0.34 0.05 0.83 0.00 0.00 0.00 176.54 177.80 2pwo h GLU 128 N 0.18 0.90 -0.18 4.80 4.39 -1.57 0.16 114.58 123.26 2pwo h GLU 128 Ca 0.06 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2pwo h GLU 128 Cb 0.48 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pwo h GLU 128 CO 0.02 0.86 -0.09 0.82 -1.16 0.00 0.00 179.01 179.46 2pwo h ILE 129 N 0.85 1.31 -0.81 3.13 2.04 -0.86 -1.53 117.51 121.63 2pwo h ILE 129 Ca 0.17 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2pwo h ILE 129 Cb 0.43 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2pwo h ILE 129 CO 0.01 0.34 0.47 0.22 0.00 0.00 0.00 178.15 179.20 2pwo h TYR 130 N 0.07 1.09 -1.01 1.37 3.20 -1.11 -1.82 116.97 118.76 2pwo h TYR 130 Ca 0.04 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.05 2pwo h TYR 130 Cb 0.57 -0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.39 2pwo h TYR 130 CO 0.06 0.74 0.62 -0.22 -1.64 0.00 0.00 178.16 177.73 2pwo h LYS 131 N 1.12 0.87 -0.34 1.82 3.64 -0.80 0.60 116.57 123.48 2pwo h LYS 131 Ca 0.29 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2pwo h LYS 131 Cb -0.01 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2pwo h LYS 131 CO -0.05 0.57 0.08 -0.09 -2.27 0.00 0.00 179.45 177.70 2pwo h ARG 132 N 0.89 0.54 -0.70 1.90 2.43 -0.46 -0.82 114.38 118.17 2pwo h ARG 132 Ca 0.53 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2pwo h ARG 132 Cb 0.67 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2pwo h ARG 132 CO -0.32 0.59 0.30 -1.49 -1.51 0.00 0.00 179.97 177.55 2pwo h TRP 133 N 0.39 1.05 -0.62 2.20 6.55 -0.76 0.44 115.95 125.20 2pwo h TRP 133 Ca 0.11 -0.07 -0.05 0.00 0.95 0.00 0.00 58.89 59.83 2pwo h TRP 133 Cb 0.30 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.25 2pwo h TRP 133 CO 0.01 0.80 0.20 0.82 -1.05 0.00 0.00 178.44 179.22 2pwo h ILE 134 N 0.99 1.24 -0.70 1.49 2.04 -0.76 -1.73 117.51 120.08 2pwo h ILE 134 Ca 0.24 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2pwo h ILE 134 Cb 0.17 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2pwo h ILE 134 CO -0.02 0.32 0.26 0.40 0.00 0.00 0.00 178.15 179.10 2pwo h ILE 135 N 0.89 1.24 -0.76 -0.67 2.04 -0.71 0.80 117.51 120.34 2pwo h ILE 135 Ca 0.20 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.34 2pwo h ILE 135 Cb 0.28 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2pwo h ILE 135 CO -0.01 0.32 0.43 -0.07 0.00 0.00 0.00 178.15 178.82 2pwo h LEU 136 N 1.02 0.64 -0.41 1.44 3.38 -0.54 0.53 115.31 121.37 2pwo h LEU 136 Ca 0.23 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2pwo h LEU 136 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2pwo h LEU 136 CO -0.02 0.39 -0.03 1.23 0.09 0.00 0.00 178.44 180.11 2pwo h GLY 137 N 0.77 0.81 1.27 0.83 0.00 -0.64 -2.84 103.07 103.26 2pwo h GLY 137 Ca 0.35 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2pwo h GLY 137 CO -0.21 0.56 0.36 1.41 0.00 0.00 0.00 176.54 178.66 2pwo h LEU 138 N 0.58 0.86 -2.20 3.11 3.38 -0.31 -1.21 115.31 119.50 2pwo h LEU 138 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2pwo h LEU 138 Cb 0.52 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2pwo h LEU 138 CO 0.03 0.70 -0.06 0.78 0.09 0.00 0.00 178.44 179.98 2pwo h ASN 139 N 0.96 0.00 0.07 -0.43 4.21 -0.74 -0.06 115.58 119.59 2pwo h ASN 139 Ca 0.24 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.65 2pwo h ASN 139 Cb 0.05 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.26 2pwo h ASN 139 CO -0.04 0.06 -0.46 0.50 -1.29 0.00 0.00 177.43 176.20 2pwo h LYS 140 N 0.00 0.15 0.00 0.81 3.64 -1.09 -3.37 116.57 116.70 2pwo h LYS 140 Ca -0.00 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 2pwo h LYS 140 Cb 0.17 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2pwo h LYS 140 CO 0.01 1.12 -0.29 0.82 -2.27 0.00 0.00 179.45 178.84 2pwo h ILE 141 N -0.69 0.89 -0.19 2.00 2.04 -0.85 -2.97 117.51 117.75 2pwo h ILE 141 Ca -0.09 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.69 2pwo h ILE 141 Cb 1.33 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2pwo h ILE 141 CO 0.07 0.29 0.18 -0.37 0.00 0.00 0.00 178.15 178.32 2pwo h VAL 142 N 0.00 0.59 -0.07 1.67 -1.51 -1.16 -0.06 116.25 115.71 2pwo h VAL 142 Ca -0.00 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 2pwo h VAL 142 Cb 0.65 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2pwo h VAL 142 CO 0.04 0.00 0.06 0.03 -1.23 0.00 0.00 177.57 176.47 2pwo h ARG 143 N 0.00 0.00 0.00 5.19 3.08 -1.75 0.84 114.38 121.74 2pwo h ARG 143 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2pwo h ARG 143 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2pwo h ARG 143 CO -0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 2pwo n MET 144 N -4.03 0.22 0.00 0.04 2.81 -0.04 -5.20 117.12 110.92 2pwo n MET 144 Ca -0.01 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 2pwo n MET 144 Cb 0.16 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 2pwo n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14