#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 1.66 0.08 0.52 1.01 -1.26 -0.78 121.20 122.42 2pwo s ILE 2 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2pwo s ILE 2 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2pwo s ILE 2 CO 0.00 0.47 -0.07 0.54 0.00 0.00 0.00 174.94 175.88 2pwo s VAL 3 N 0.12 0.67 -0.14 2.92 0.11 -0.19 -4.87 120.40 119.03 2pwo s VAL 3 Ca -0.08 -1.66 -0.19 0.00 -2.93 0.00 0.00 61.98 57.13 2pwo s VAL 3 Cb -0.14 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 2pwo s VAL 3 CO 0.04 -0.70 0.50 -1.58 -3.33 0.00 0.00 175.10 170.03 2pwo s GLN 4 N -3.07 4.31 0.88 1.54 0.74 -1.26 -0.92 119.66 121.87 2pwo s GLN 4 Ca 0.05 0.47 -0.13 0.00 0.05 0.00 0.00 55.36 55.80 2pwo s GLN 4 Cb 0.00 -3.47 0.20 0.00 1.10 0.00 0.00 33.01 30.84 2pwo s GLN 4 CO -0.03 0.07 1.19 0.27 -0.55 0.00 0.00 175.29 176.25 2pwo n ASN 5 N 3.98 0.30 0.30 6.67 0.23 -0.02 -4.90 115.26 121.81 2pwo n ASN 5 Ca -0.06 -1.56 0.19 0.00 -0.53 0.00 0.00 54.58 52.62 2pwo n ASN 5 Cb 0.51 -0.89 0.86 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.00 -4.53 3.38 -1.98 -0.83 115.31 111.35 2pwo h LEU 6 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2pwo h LEU 6 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2pwo h LEU 6 CO 0.29 0.02 -0.16 0.00 0.09 0.00 0.00 178.44 178.68 2pwo n GLN 7 N -3.14 0.01 -0.30 1.13 3.00 -1.26 -4.94 117.38 111.88 2pwo n GLN 7 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2pwo n GLN 7 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.97 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 1.49 0.78 3.94 1.08 0.00 -0.32 -5.07 105.19 107.11 2pwo n GLY 8 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.70 3.47 -0.16 1.61 -1.52 -1.26 -4.80 119.66 116.31 2pwo s GLN 9 Ca 0.00 -0.51 -0.20 0.00 -1.95 0.00 0.00 55.36 52.69 2pwo s GLN 9 Cb 0.00 -2.88 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 2pwo s GLN 9 CO 0.00 0.43 0.60 -1.64 -0.25 0.00 0.00 175.29 174.42 2pwo s MET 10 N -3.50 4.27 0.18 2.91 -1.94 -1.26 -0.84 119.30 119.13 2pwo s MET 10 Ca 0.36 0.60 -0.00 0.00 -1.71 0.00 0.00 55.69 54.94 2pwo s MET 10 Cb -0.11 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 2pwo s MET 10 CO 0.29 -0.09 0.08 0.14 -0.01 0.00 0.00 175.02 175.43 2pwo s VAL 11 N 1.42 0.22 0.36 -6.03 -7.23 -0.10 -4.96 120.40 104.09 2pwo s VAL 11 Ca 0.29 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.24 2pwo s VAL 11 Cb -0.16 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 2pwo s VAL 11 CO 0.12 -0.23 1.09 -2.28 -0.31 0.00 0.00 175.10 173.48 2pwo s HIS 12 N -3.99 3.32 -0.14 2.82 2.46 -1.26 -1.02 115.29 117.48 2pwo s HIS 12 Ca 0.31 1.64 0.02 0.00 0.47 0.00 0.00 55.06 57.50 2pwo s HIS 12 Cb 0.07 -3.23 0.00 0.00 -0.13 0.00 0.00 32.58 29.29 2pwo s HIS 12 CO 0.07 -0.75 -0.19 -1.14 -2.47 0.00 0.00 174.74 170.26 2pwo s GLN 13 N -2.14 3.11 0.51 2.88 0.74 0.04 -4.77 119.66 120.03 2pwo s GLN 13 Ca 0.54 -0.81 -0.23 0.00 0.05 0.00 0.00 55.36 54.91 2pwo s GLN 13 Cb -0.27 -2.49 -0.06 0.00 1.10 0.00 0.00 33.01 31.29 2pwo s GLN 13 CO 0.34 0.04 1.34 0.00 -0.55 0.00 0.00 175.29 176.46 2pwo n ALA 14 N 3.96 1.58 -1.69 1.58 0.00 -1.26 0.04 120.51 124.72 2pwo n ALA 14 Ca -0.19 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 2pwo n ALA 14 Cb 0.52 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 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 -0.77 0.08 -1.79 0.00 5.41 -1.26 -4.65 119.36 116.37 2pwo n ILE 15 Ca 0.09 -0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.50 2pwo n ILE 15 Cb 0.43 -1.71 0.03 0.00 -0.71 0.00 0.00 39.64 37.69 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 0.95 5.46 0.25 4.38 1.04 -1.26 -4.83 113.70 119.70 2pwo s SER 16 Ca 0.76 1.78 -0.03 0.00 0.48 0.00 0.00 55.95 58.95 2pwo s SER 16 Cb -0.61 -2.52 0.49 0.00 0.10 0.00 0.00 66.02 63.48 2pwo s SER 16 CO 0.37 -1.39 1.74 -0.65 0.98 0.00 0.00 173.24 174.29 2pwo h PRO 17 N -0.10 0.51 -0.57 4.02 0.11 -1.99 -0.83 132.00 133.15 2pwo h PRO 17 Ca -0.46 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2pwo h PRO 17 Cb 1.22 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 2pwo h PRO 17 CO 0.56 0.34 0.30 0.00 -0.21 0.00 0.00 178.00 178.99 2pwo h ARG 18 N 0.52 0.55 -0.18 1.05 3.08 -1.99 0.32 114.38 117.74 2pwo h ARG 18 Ca 0.44 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.37 2pwo h ARG 18 Cb 0.64 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 2pwo h ARG 18 CO -0.38 0.36 -0.21 1.15 -1.07 0.00 0.00 179.97 179.82 2pwo h THR 19 N 0.57 1.34 -0.47 2.04 2.02 -1.78 -1.95 112.91 114.67 2pwo h THR 19 Ca 0.25 -1.40 -0.06 0.00 0.77 0.00 0.00 66.41 65.97 2pwo h THR 19 Cb 0.15 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2pwo h THR 19 CO -0.17 0.42 0.07 0.25 0.37 0.00 0.00 175.52 176.46 2pwo h LEU 20 N 0.10 0.76 -0.33 2.58 5.85 -1.02 -1.04 115.31 122.22 2pwo h LEU 20 Ca 0.02 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2pwo h LEU 20 Cb 0.77 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2pwo h LEU 20 CO 0.05 0.84 0.00 0.78 -0.34 0.00 0.00 178.44 179.77 2pwo h ASN 21 N 0.66 -0.12 -0.85 1.25 2.35 -0.94 -0.30 115.58 117.62 2pwo h ASN 21 Ca 0.14 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2pwo h ASN 21 Cb 0.41 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2pwo h ASN 21 CO 0.01 -0.03 0.41 0.00 -1.65 0.00 0.00 177.43 176.18 2pwo h ALA 22 N 1.28 1.10 -0.62 -0.83 0.00 -1.06 -1.48 119.26 117.66 2pwo h ALA 22 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2pwo h ALA 22 Cb 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2pwo h ALA 22 CO -0.26 0.66 0.15 2.35 0.00 0.00 0.00 179.25 182.15 2pwo h TRP 23 N 1.21 1.04 -0.84 0.00 -0.00 -0.62 -0.05 115.95 116.69 2pwo h TRP 23 Ca 0.29 -0.13 0.02 0.00 -0.00 0.00 0.00 58.89 59.08 2pwo h TRP 23 Cb 0.12 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 28.94 2pwo h TRP 23 CO 0.01 0.87 0.55 0.28 -0.00 0.00 0.00 178.44 180.16 2pwo h VAL 24 N 0.90 1.17 -0.65 2.65 2.07 -0.85 -0.38 116.25 121.16 2pwo h VAL 24 Ca 0.19 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2pwo h VAL 24 Cb 0.36 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2pwo h VAL 24 CO 0.00 0.20 0.09 0.11 0.02 0.00 0.00 177.57 177.99 2pwo h LYS 25 N 1.09 1.08 -0.53 1.57 1.57 -0.79 0.20 116.57 120.75 2pwo h LYS 25 Ca 0.33 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2pwo h LYS 25 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2pwo h LYS 25 CO -0.10 0.99 0.11 0.28 -0.57 0.00 0.00 179.45 180.17 2pwo h VAL 26 N 1.01 1.25 -0.34 0.50 2.07 -0.64 -1.44 116.25 118.64 2pwo h VAL 26 Ca 0.20 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2pwo h VAL 26 Cb 0.45 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2pwo h VAL 26 CO 0.01 0.33 0.16 0.58 0.02 0.00 0.00 177.57 178.67 2pwo h VAL 27 N 0.74 1.16 -0.95 2.57 2.07 -0.63 0.20 116.25 121.41 2pwo h VAL 27 Ca 0.16 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2pwo h VAL 27 Cb 0.37 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2pwo h VAL 27 CO 0.01 0.17 0.62 -0.33 0.02 0.00 0.00 177.57 178.05 2pwo h GLU 28 N 0.41 1.14 0.00 1.57 4.39 -0.36 -1.88 114.58 119.85 2pwo h GLU 28 Ca 0.12 -0.07 -0.30 0.00 0.34 0.00 0.00 59.36 59.45 2pwo h GLU 28 Cb 0.12 -0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 28.47 2pwo h GLU 28 CO -0.01 0.75 -1.78 -1.91 -1.16 0.00 0.00 179.01 174.90 2pwo n GLU 29 N -4.50 0.64 0.00 2.33 2.13 -0.57 -4.73 120.64 115.94 2pwo n GLU 29 Ca 0.13 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2pwo n GLU 29 Cb 0.12 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2pwo n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2pwo n LYS 30 N -3.00 3.12 -1.93 5.31 5.02 0.68 -5.04 118.16 122.31 2pwo n LYS 30 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.68 2pwo n LYS 30 Cb 1.06 -0.69 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 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 -1.28 3.69 -0.46 7.82 0.00 -0.71 -0.20 121.76 130.62 2pwo s ALA 31 Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.25 2pwo s ALA 31 Cb 0.00 -3.69 0.39 0.00 0.00 0.00 0.00 23.12 19.82 2pwo s ALA 31 CO 0.00 -1.09 0.97 1.19 0.00 0.00 0.00 175.76 176.83 2pwo n PHE 32 N 5.56 2.74 -1.22 0.00 3.72 -1.26 -5.01 117.46 121.99 2pwo n PHE 32 Ca 0.16 -3.47 -0.32 0.00 -0.05 0.00 0.00 57.45 53.77 2pwo n PHE 32 Cb 0.40 -0.32 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 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 -3.27 4.06 0.50 4.37 1.04 0.72 -3.86 113.70 117.26 2pwo s SER 33 Ca 0.44 2.09 0.28 0.00 0.48 0.00 0.00 55.95 59.25 2pwo s SER 33 Cb 0.36 -2.56 1.39 0.00 0.10 0.00 0.00 66.02 65.31 2pwo s SER 33 CO -0.12 -2.34 1.86 1.55 0.98 0.00 0.00 173.24 175.17 2pwo h PRO 34 N -0.95 0.10 -0.15 4.02 0.13 -1.89 -1.66 132.00 131.61 2pwo h PRO 34 Ca -0.45 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2pwo h PRO 34 Cb 1.26 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2pwo h PRO 34 CO 0.48 0.07 0.14 0.93 -0.23 0.00 0.00 178.00 179.39 2pwo h GLU 35 N 0.11 0.00 0.00 0.86 3.07 -1.92 -2.29 114.58 114.40 2pwo h GLU 35 Ca 0.46 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 2pwo h GLU 35 Cb 1.65 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.55 2pwo h GLU 35 CO -0.06 0.00 -0.23 -0.24 -1.40 0.00 0.00 179.01 177.08 2pwo h VAL 36 N 0.00 0.90 0.10 3.13 3.04 -1.51 -3.34 116.25 118.56 2pwo h VAL 36 Ca 0.07 -0.87 -0.00 0.00 -1.01 0.00 0.00 66.70 64.88 2pwo h VAL 36 Cb 0.34 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2pwo h VAL 36 CO -0.00 0.23 -0.05 0.40 -1.01 0.00 0.00 177.57 177.14 2pwo h ILE 37 N 0.00 1.13 -0.04 3.17 2.04 -1.61 0.09 117.51 122.29 2pwo h ILE 37 Ca -0.00 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.78 2pwo h ILE 37 Cb 0.49 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2pwo h ILE 37 CO 0.03 0.25 0.03 -0.65 0.00 0.00 0.00 178.15 177.81 2pwo h PRO 38 N -0.66 0.00 -0.11 2.37 0.11 -1.77 -0.14 132.00 131.80 2pwo h PRO 38 Ca -0.01 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 2pwo h PRO 38 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2pwo h PRO 38 CO 0.02 0.00 -0.36 0.52 -0.21 0.00 0.00 178.00 177.97 2pwo h MET 39 N 0.00 0.44 -0.56 1.05 2.86 -1.62 -2.25 114.93 114.84 2pwo h MET 39 Ca 0.02 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2pwo h MET 39 Cb 0.07 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2pwo h MET 39 CO -0.00 0.95 0.30 0.35 1.06 0.00 0.00 176.91 179.57 2pwo h PHE 40 N 0.02 0.55 -0.86 -0.22 3.57 -0.51 0.09 116.94 119.57 2pwo h PHE 40 Ca -0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2pwo h PHE 40 Cb 0.99 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2pwo h PHE 40 CO 0.11 0.27 0.56 1.03 -2.23 0.00 0.00 178.31 178.05 2pwo h SER 41 N 0.57 0.94 -0.00 0.41 0.87 -0.92 -0.75 113.55 114.67 2pwo h SER 41 Ca 0.25 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 2pwo h SER 41 Cb 0.14 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2pwo h SER 41 CO -0.16 0.66 -0.31 0.00 -0.53 0.00 0.00 176.83 176.48 2pwo h ALA 42 N 1.34 0.04 0.00 6.23 0.00 -1.19 -3.23 119.26 122.45 2pwo h ALA 42 Ca 0.33 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2pwo h ALA 42 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pwo h ALA 42 CO -0.10 0.13 -0.06 -0.07 0.00 0.00 0.00 179.25 179.15 2pwo h LEU 43 N -0.43 0.00 -1.47 0.00 3.38 -0.81 -2.19 115.31 113.78 2pwo h LEU 43 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pwo h LEU 43 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2pwo h LEU 43 CO 0.06 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 2pwo n SER 44 N -3.27 2.17 -4.69 -0.43 3.41 -0.30 -4.94 113.62 105.57 2pwo n SER 44 Ca -0.01 -1.90 -0.44 0.00 -0.26 0.00 0.00 58.87 56.25 2pwo n SER 44 Cb 0.26 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 2pwo n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2pwo n GLU 45 N 0.67 2.36 -0.94 4.33 2.13 -0.83 -1.27 120.64 127.09 2pwo n GLU 45 Ca 0.15 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.82 2pwo n GLU 45 Cb 0.37 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.44 2pwo n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pwo n GLY 46 N 3.45 0.46 3.76 8.31 0.00 -1.26 -4.95 105.19 114.95 2pwo n GLY 46 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.16 3.50 0.75 4.61 0.00 -0.39 -4.15 121.76 123.92 2pwo s ALA 47 Ca 0.00 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2pwo s ALA 47 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2pwo s ALA 47 CO 0.00 -0.59 1.10 0.95 0.00 0.00 0.00 175.76 177.22 2pwo s THR 48 N -0.91 3.26 0.34 0.00 -4.23 -1.26 -4.41 115.64 108.44 2pwo s THR 48 Ca 0.50 0.41 0.09 0.00 -1.18 0.00 0.00 61.69 61.51 2pwo s THR 48 Cb -0.39 -3.28 0.32 0.00 1.34 0.00 0.00 72.50 70.50 2pwo s THR 48 CO 0.49 -0.54 1.82 -0.65 -0.54 0.00 0.00 174.62 175.21 2pwo h PRO 49 N -0.87 0.68 -0.56 3.99 0.11 -1.85 -0.02 132.00 133.47 2pwo h PRO 49 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2pwo h PRO 49 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2pwo h PRO 49 CO 0.62 0.45 0.31 0.37 -0.21 0.00 0.00 178.00 179.54 2pwo h GLN 50 N 0.70 0.78 -0.93 1.05 4.15 -1.91 -0.41 115.11 118.55 2pwo h GLN 50 Ca 0.52 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.84 2pwo h GLN 50 Cb 0.87 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 2pwo h GLN 50 CO -0.28 0.60 0.55 -0.44 -1.93 0.00 0.00 178.83 177.33 2pwo h ASP 51 N 0.76 1.13 -0.62 -0.69 3.32 -1.57 -0.72 116.42 118.02 2pwo h ASP 51 Ca 0.20 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2pwo h ASP 51 Cb 0.04 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2pwo h ASP 51 CO -0.03 0.87 0.28 -0.07 -1.72 0.00 0.00 179.24 178.57 2pwo h LEU 52 N 1.29 0.83 -1.26 1.55 3.38 -0.52 -1.13 115.31 119.45 2pwo h LEU 52 Ca 0.33 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2pwo h LEU 52 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2pwo h LEU 52 CO -0.06 0.75 -0.00 0.78 0.09 0.00 0.00 178.44 179.99 2pwo h ASN 53 N 0.86 0.46 -0.50 -0.43 -0.26 -0.63 -0.83 115.58 114.24 2pwo h ASN 53 Ca 0.21 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 2pwo h ASN 53 Cb 0.15 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2pwo h ASN 53 CO -0.02 0.54 0.21 0.74 -1.06 0.00 0.00 177.43 177.83 2pwo h THR 54 N 0.48 1.21 -0.68 2.81 2.02 -0.58 0.25 112.91 118.43 2pwo h THR 54 Ca 0.10 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2pwo h THR 54 Cb 0.32 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2pwo h THR 54 CO 0.01 0.24 0.41 0.24 0.37 0.00 0.00 175.52 176.79 2pwo h MET 55 N 0.67 0.92 -0.41 6.66 2.86 -0.77 -2.23 114.93 122.62 2pwo h MET 55 Ca 0.17 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2pwo h MET 55 Cb 0.18 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2pwo h MET 55 CO -0.02 0.65 -0.18 -0.07 1.06 0.00 0.00 176.91 178.35 2pwo h LEU 56 N 0.92 0.80 0.00 1.22 3.38 -0.72 -2.66 115.31 118.25 2pwo h LEU 56 Ca 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pwo h LEU 56 Cb -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2pwo h LEU 56 CO -0.05 0.98 0.00 0.59 0.09 0.00 0.00 178.44 180.05 2pwo n ASN 57 N -4.13 0.00 0.15 -0.43 3.02 0.04 -2.41 115.26 111.51 2pwo n ASN 57 Ca 0.01 -0.37 0.13 0.00 -0.03 0.00 0.00 54.58 54.31 2pwo n ASN 57 Cb 0.41 -0.20 0.31 0.00 -0.61 0.00 0.00 39.78 39.70 2pwo n ASN 57 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2pwo h THR 58 N 0.00 0.00 -2.93 3.41 2.02 -1.03 -3.45 112.91 110.92 2pwo h THR 58 Ca 0.00 -0.69 -0.57 0.00 0.77 0.00 0.00 66.41 65.93 2pwo h THR 58 Cb 0.18 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2pwo h THR 58 CO 0.00 0.00 1.01 -0.69 0.37 0.00 0.00 175.52 176.21 2pwo s VAL 59 N -3.15 4.01 -0.12 3.16 1.01 -1.01 -4.97 120.40 119.34 2pwo s VAL 59 Ca 0.09 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 2pwo s VAL 59 Cb 0.09 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2pwo s VAL 59 CO 0.63 -0.30 0.24 -0.83 0.00 0.00 0.00 175.10 174.84 2pwo s GLY 60 N 3.01 2.22 0.00 4.51 0.00 -1.26 -4.91 107.32 110.90 2pwo s GLY 60 Ca 0.61 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.83 2pwo s GLY 60 CO 0.23 0.06 0.00 0.61 0.00 0.00 0.00 173.10 174.00 2pwo n GLY 61 N 2.61 -1.81 3.87 0.20 0.00 -1.26 -4.97 105.19 103.82 2pwo n GLY 61 Ca -0.16 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.29 -0.11 1.61 8.25 -1.26 -4.86 115.22 116.57 2pwo n HIS 62 Ca 0.00 0.91 -0.05 0.00 -0.26 0.00 0.00 57.72 58.31 2pwo n HIS 62 Cb 0.00 -4.10 0.02 0.00 1.12 0.00 0.00 29.99 27.03 2pwo n HIS 62 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2pwo h GLN 63 N -2.10 0.09 -0.54 -0.41 1.08 -1.94 0.63 115.11 111.91 2pwo h GLN 63 Ca -0.58 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.58 2pwo h GLN 63 Cb 1.37 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.76 2pwo h GLN 63 CO 0.65 0.06 0.21 0.00 -0.95 0.00 0.00 178.83 178.80 2pwo h ALA 64 N 1.33 0.71 -0.71 3.87 0.00 -2.00 -1.53 119.26 120.93 2pwo h ALA 64 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2pwo h ALA 64 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2pwo h ALA 64 CO -0.31 0.33 0.17 0.00 0.00 0.00 0.00 179.25 179.44 2pwo h ALA 65 N 1.06 0.95 -0.24 0.00 0.00 -1.82 -2.15 119.26 117.05 2pwo h ALA 65 Ca 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2pwo h ALA 65 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2pwo h ALA 65 CO -0.01 0.67 -0.17 0.52 0.00 0.00 0.00 179.25 180.26 2pwo h MET 66 N 1.08 0.41 -0.48 0.00 2.07 -0.63 0.43 114.93 117.82 2pwo h MET 66 Ca 0.22 -0.12 -0.09 0.00 -2.07 0.00 0.00 59.70 57.64 2pwo h MET 66 Cb 0.38 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 2pwo h MET 66 CO 0.00 0.57 -0.06 0.37 1.07 0.00 0.00 176.91 178.86 2pwo h GLN 67 N 0.37 0.88 -0.59 1.72 5.75 -1.08 -1.12 115.11 121.05 2pwo h GLN 67 Ca 0.07 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 2pwo h GLN 67 Cb 0.51 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2pwo h GLN 67 CO 0.03 0.95 0.29 0.52 -2.65 0.00 0.00 178.83 177.97 2pwo h MET 68 N 0.73 0.84 -0.71 1.69 2.86 -1.00 -1.29 114.93 118.05 2pwo h MET 68 Ca 0.13 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2pwo h MET 68 Cb 0.59 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 2pwo h MET 68 CO 0.04 0.68 0.45 1.25 1.06 0.00 0.00 176.91 180.38 2pwo h LEU 69 N 0.80 0.75 -0.68 1.22 5.85 -0.78 -0.61 115.31 121.86 2pwo h LEU 69 Ca 0.20 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2pwo h LEU 69 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2pwo h LEU 69 CO -0.03 0.52 0.23 0.50 -0.34 0.00 0.00 178.44 179.32 2pwo h LYS 70 N 0.89 1.04 -0.74 1.25 3.64 -0.89 -0.16 116.57 121.59 2pwo h LYS 70 Ca 0.28 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2pwo h LYS 70 Cb -0.01 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2pwo h LYS 70 CO -0.10 0.89 0.49 0.93 -2.27 0.00 0.00 179.45 179.40 2pwo h GLU 71 N 0.98 0.96 -0.21 1.90 5.08 -0.81 -0.03 114.58 122.46 2pwo h GLU 71 Ca 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2pwo h GLU 71 Cb 0.27 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2pwo h GLU 71 CO -0.01 0.64 0.09 1.15 -1.00 0.00 0.00 179.01 179.88 2pwo h THR 72 N 0.99 1.15 -0.89 1.13 2.02 -0.62 -1.80 112.91 114.89 2pwo h THR 72 Ca 0.28 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2pwo h THR 72 Cb -0.09 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 2pwo h THR 72 CO -0.07 0.15 0.57 0.40 0.37 0.00 0.00 175.52 176.94 2pwo h ILE 73 N 0.20 1.11 -0.64 3.11 2.04 -0.66 -0.79 117.51 121.88 2pwo h ILE 73 Ca 0.07 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 2pwo h ILE 73 Cb 0.15 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 2pwo h ILE 73 CO -0.01 0.20 0.26 0.78 0.00 0.00 0.00 178.15 179.38 2pwo h ASN 74 N 1.08 0.88 -0.32 1.72 2.35 -0.69 -0.16 115.58 120.44 2pwo h ASN 74 Ca 0.36 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 2pwo h ASN 74 Cb 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2pwo h ASN 74 CO -0.14 0.81 -0.16 1.05 -1.65 0.00 0.00 177.43 177.34 2pwo h GLU 75 N 0.90 0.77 -0.56 0.81 -0.00 -0.86 -2.32 114.58 113.32 2pwo h GLU 75 Ca 0.21 -0.28 -0.11 0.00 -0.00 0.00 0.00 59.36 59.18 2pwo h GLU 75 Cb 0.20 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 28.88 2pwo h GLU 75 CO -0.02 0.88 -0.09 0.93 -0.00 0.00 0.00 179.01 180.72 2pwo h GLU 76 N 0.69 1.05 -0.53 1.06 4.39 -0.88 -1.93 114.58 118.43 2pwo h GLU 76 Ca 0.11 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 2pwo h GLU 76 Cb 0.65 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2pwo h GLU 76 CO 0.05 1.07 0.29 0.00 -1.16 0.00 0.00 179.01 179.26 2pwo h ALA 77 N 0.95 0.68 -0.34 3.43 0.00 -0.83 0.15 119.26 123.30 2pwo h ALA 77 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2pwo h ALA 77 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2pwo h ALA 77 CO 0.05 0.21 -0.27 0.00 0.00 0.00 0.00 179.25 179.23 2pwo h ALA 78 N 1.12 0.50 -0.83 0.00 0.00 -1.43 -2.45 119.26 116.16 2pwo h ALA 78 Ca 0.19 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2pwo h ALA 78 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2pwo h ALA 78 CO -0.03 0.51 0.39 0.93 0.00 0.00 0.00 179.25 181.05 2pwo h GLU 79 N 0.57 1.21 -0.32 0.00 4.39 -1.14 -2.48 114.58 116.81 2pwo h GLU 79 Ca 0.06 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.65 2pwo h GLU 79 Cb 0.84 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2pwo h GLU 79 CO 0.07 0.93 -0.15 2.35 -1.16 0.00 0.00 179.01 181.05 2pwo h TRP 80 N 1.19 -0.37 -0.66 4.33 2.91 -0.49 -1.04 115.95 121.82 2pwo h TRP 80 Ca 0.29 0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.43 2pwo h TRP 80 Cb 0.13 0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 28.93 2pwo h TRP 80 CO 0.02 -0.23 0.30 -0.44 -1.03 0.00 0.00 178.44 177.06 2pwo h ASP 81 N -0.10 0.37 -0.11 2.65 3.32 -1.20 0.64 116.42 121.99 2pwo h ASP 81 Ca 0.16 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 2pwo h ASP 81 Cb 0.35 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2pwo h ASP 81 CO -0.39 0.21 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.16 2pwo h ARG 82 N 0.52 0.43 -0.00 3.56 2.43 -0.84 -2.69 114.38 117.79 2pwo h ARG 82 Ca 0.33 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2pwo h ARG 82 Cb 0.36 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2pwo h ARG 82 CO -0.28 0.54 -0.43 1.28 -1.51 0.00 0.00 179.97 179.58 2pwo n LEU 83 N -4.24 0.57 -3.20 3.80 4.77 -0.49 -4.37 117.00 113.84 2pwo n LEU 83 Ca 0.00 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 2pwo n LEU 83 Cb 0.29 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2pwo n LEU 83 CO 0.39 0.13 -0.04 1.41 -1.33 0.00 0.00 177.39 177.95 2pwo n HIS 84 N -1.33 2.22 -1.78 -1.77 8.25 0.16 -5.08 115.22 115.89 2pwo n HIS 84 Ca 0.07 -3.92 -0.38 0.00 -0.26 0.00 0.00 57.72 53.23 2pwo n HIS 84 Cb 0.34 -0.47 0.05 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.43 2.98 0.14 -0.41 0.02 -1.23 -4.81 135.00 129.26 2pwo s PRO 85 Ca 0.41 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.63 2pwo s PRO 85 Cb 0.22 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2pwo s PRO 85 CO -0.08 -1.30 -0.04 0.14 -0.33 0.00 0.00 177.00 175.39 2pwo s VAL 86 N -1.33 0.73 0.89 3.83 -7.23 -1.26 -5.15 120.40 110.87 2pwo s VAL 86 Ca 0.75 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2pwo s VAL 86 Cb -0.39 -1.92 0.12 0.00 0.56 0.00 0.00 36.38 34.75 2pwo s VAL 86 CO 0.45 -0.66 1.09 -1.00 -0.31 0.00 0.00 175.10 174.67 2pwo s HIS 87 N -3.61 2.21 -1.09 2.82 3.76 -1.26 -4.90 115.29 113.22 2pwo s HIS 87 Ca 0.18 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 2pwo s HIS 87 Cb 0.05 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.59 2pwo s HIS 87 CO 0.00 -2.41 0.41 0.00 -0.85 0.00 0.00 174.74 171.89 2pwo n ALA 88 N -3.92 2.13 0.00 -1.40 0.00 -1.26 -4.75 120.51 111.31 2pwo n ALA 88 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2pwo n ALA 88 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2pwo n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwo n GLY 89 N 0.14 2.59 3.75 0.00 0.00 -1.26 -5.11 105.19 105.29 2pwo n GLY 89 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 4.12 0.06 1.61 0.04 -1.26 -4.92 135.00 132.64 2pwo s PRO 90 Ca 0.00 2.59 -0.17 0.00 0.04 0.00 0.00 61.00 63.46 2pwo s PRO 90 Cb 0.00 -3.03 -0.17 0.00 0.04 0.00 0.00 34.50 31.35 2pwo s PRO 90 CO 0.00 -0.65 1.26 0.82 0.04 0.00 0.00 177.00 178.46 2pwo h ILE 91 N 3.43 1.35 0.00 0.56 1.08 -1.98 -3.44 117.51 118.51 2pwo h ILE 91 Ca -0.47 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 2pwo h ILE 91 Cb 1.22 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2pwo h ILE 91 CO 0.81 0.55 0.00 -0.62 -0.69 0.00 0.00 178.15 178.21 2pwo n GLU 92 N -4.19 0.00 -3.34 2.37 4.71 -1.26 -5.23 120.64 113.70 2pwo n GLU 92 Ca -0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.69 2pwo n GLU 92 Cb 0.61 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.97 2pwo n GLU 92 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2pwo s PRO 93 N 0.00 4.16 -0.48 3.49 0.04 -1.26 -5.30 135.00 135.64 2pwo s PRO 93 Ca 0.00 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.00 2pwo s PRO 93 Cb 0.00 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 31.01 2pwo s PRO 93 CO 0.00 -0.11 1.20 1.41 0.04 0.00 0.00 177.00 179.54 2pwo s MET 96 N 1.53 3.66 0.53 4.56 1.75 -1.26 -5.16 119.30 124.91 2pwo s MET 96 Ca 0.20 0.59 -0.21 0.00 -1.25 0.00 0.00 55.69 55.02 2pwo s MET 96 Cb -0.15 -3.95 -0.05 0.00 2.84 0.00 0.00 34.83 33.52 2pwo s MET 96 CO 0.09 -1.47 1.20 -0.98 -0.65 0.00 0.00 175.02 173.21 2pwo s ARG 97 N 4.63 3.33 0.35 4.11 1.70 -1.26 -5.01 118.95 126.79 2pwo s ARG 97 Ca 0.50 1.83 -0.27 0.00 -0.47 0.00 0.00 55.73 57.32 2pwo s ARG 97 Cb -0.08 -2.15 -0.09 0.00 -0.57 0.00 0.00 34.95 32.06 2pwo s ARG 97 CO 0.31 -0.92 1.17 -1.21 -1.08 0.00 0.00 175.30 173.57 2pwo s GLU 98 N -3.05 4.31 0.44 3.89 0.41 -1.26 -5.00 118.70 118.45 2pwo s GLU 98 Ca 0.71 1.89 -0.23 0.00 -0.41 0.00 0.00 54.97 56.93 2pwo s GLU 98 Cb -0.30 -2.92 -0.08 0.00 -1.78 0.00 0.00 34.13 29.05 2pwo s GLU 98 CO 0.34 -0.11 1.14 -1.25 -0.49 0.00 0.00 175.26 174.90 2pwo s PRO 99 N -1.93 3.86 0.63 0.39 0.04 -1.26 -5.05 135.00 131.67 2pwo s PRO 99 Ca 0.51 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.29 2pwo s PRO 99 Cb -0.33 -2.45 0.09 0.00 0.04 0.00 0.00 34.50 31.85 2pwo s PRO 99 CO 0.42 -0.46 0.87 1.03 0.04 0.00 0.00 177.00 178.90 2pwo s ARG 100 N -2.64 2.11 0.19 4.56 1.81 -1.26 -4.94 118.95 118.78 2pwo s ARG 100 Ca 0.62 -1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 53.43 2pwo s ARG 100 Cb -0.27 -2.45 0.19 0.00 -0.45 0.00 0.00 34.95 31.97 2pwo s ARG 100 CO 0.33 -1.07 1.77 0.78 -0.68 0.00 0.00 175.30 176.44 2pwo h GLY 101 N -0.17 0.77 2.00 -3.53 0.00 -1.92 -0.90 103.07 99.31 2pwo h GLY 101 Ca -0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2pwo h GLY 101 CO 0.44 0.07 -0.11 1.48 0.00 0.00 0.00 176.54 178.42 2pwo h SER 102 N 0.47 0.00 -0.13 0.19 4.64 -1.96 -0.80 113.55 115.96 2pwo h SER 102 Ca 0.26 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.41 2pwo h SER 102 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2pwo h SER 102 CO -0.21 0.11 -0.58 0.44 -0.87 0.00 0.00 176.83 175.72 2pwo h ASP 103 N 0.00 0.73 -0.87 4.97 3.32 -1.54 0.00 116.42 123.04 2pwo h ASP 103 Ca -0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.40 2pwo h ASP 103 Cb 0.36 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2pwo h ASP 103 CO 0.01 1.24 0.48 0.40 -1.72 0.00 0.00 179.24 179.65 2pwo h ILE 104 N 0.27 1.25 -0.01 0.35 2.04 -0.66 -2.07 117.51 118.69 2pwo h ILE 104 Ca -0.04 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2pwo h ILE 104 Cb 1.21 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2pwo h ILE 104 CO 0.12 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.56 2pwo n ALA 105 N -2.41 2.65 -0.72 1.87 0.00 -0.37 -4.64 120.51 116.89 2pwo n ALA 105 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2pwo n ALA 105 Cb 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 0.95 0.83 0.09 0.00 0.00 -0.78 -4.91 105.19 101.38 2pwo n GLY 106 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.78 -0.01 2.61 1.35 -1.25 -3.37 112.91 113.03 2pwo h THR 107 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 2pwo h THR 107 Cb 0.00 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2pwo h THR 107 CO 0.00 0.45 -0.06 0.35 -0.25 0.00 0.00 175.52 176.01 2pwo n THR 108 N -3.02 0.00 -4.18 6.82 -2.24 -0.84 -5.02 114.28 105.79 2pwo n THR 108 Ca -0.11 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 2pwo n THR 108 Cb 0.93 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 70.19 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 -0.80 4.79 0.62 3.42 1.04 -1.26 -4.86 113.70 116.65 2pwo s SER 109 Ca 0.07 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 2pwo s SER 109 Cb 0.06 -1.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 2pwo s SER 109 CO 0.13 0.18 1.01 0.42 0.98 0.00 0.00 173.24 175.96 2pwo s THR 110 N -1.26 4.32 0.31 2.02 -4.23 -1.26 -4.90 115.64 110.64 2pwo s THR 110 Ca 0.24 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 61.37 2pwo s THR 110 Cb -0.11 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.28 2pwo s THR 110 CO 0.16 -0.91 1.92 0.25 -0.54 0.00 0.00 174.62 175.50 2pwo h LEU 111 N -0.33 0.86 -0.66 4.79 5.85 -1.99 -1.38 115.31 122.45 2pwo h LEU 111 Ca -0.45 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 2pwo h LEU 111 Cb 1.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2pwo h LEU 111 CO 0.62 0.55 -0.27 -0.61 -0.34 0.00 0.00 178.44 178.40 2pwo h GLN 112 N 0.98 0.75 -0.56 1.25 4.15 -1.99 -1.53 115.11 118.15 2pwo h GLN 112 Ca 0.37 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 2pwo h GLN 112 Cb 0.21 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2pwo h GLN 112 CO -0.14 0.93 0.20 0.93 -1.93 0.00 0.00 178.83 178.83 2pwo h GLU 113 N 0.65 0.85 -0.11 1.69 5.08 -1.76 0.91 114.58 121.90 2pwo h GLU 113 Ca 0.08 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2pwo h GLU 113 Cb 0.78 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2pwo h GLU 113 CO 0.06 0.76 -0.04 1.96 -1.00 0.00 0.00 179.01 180.75 2pwo h GLN 114 N 0.77 -0.02 -0.66 2.33 4.20 -0.91 -0.56 115.11 120.26 2pwo h GLN 114 Ca 0.18 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 2pwo h GLN 114 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2pwo h GLN 114 CO -0.01 -0.01 0.11 0.82 -0.67 0.00 0.00 178.83 179.07 2pwo h ILE 115 N -0.02 1.26 -0.60 2.54 2.04 -1.11 -1.08 117.51 120.55 2pwo h ILE 115 Ca 0.06 -1.03 0.12 0.00 1.00 0.00 0.00 64.86 65.01 2pwo h ILE 115 Cb 0.10 0.65 -0.10 0.00 -0.74 0.00 0.00 36.82 36.74 2pwo h ILE 115 CO -0.12 0.38 0.05 1.23 0.00 0.00 0.00 178.15 179.69 2pwo h GLY 116 N 1.01 0.68 0.71 5.37 0.00 -0.44 -1.69 103.07 108.70 2pwo h GLY 116 Ca 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2pwo h GLY 116 CO 0.01 -0.17 -0.05 1.49 0.00 0.00 0.00 176.54 177.82 2pwo h TRP 117 N 0.16 0.27 0.00 5.60 6.55 -0.78 -1.47 115.95 126.29 2pwo h TRP 117 Ca 0.31 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 60.07 2pwo h TRP 117 Cb 0.49 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.73 2pwo h TRP 117 CO -0.32 0.58 -0.07 0.52 -1.05 0.00 0.00 178.44 178.11 2pwo h MET 118 N -0.12 0.00 -0.22 0.49 2.86 -0.90 -0.95 114.93 116.09 2pwo h MET 118 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2pwo h MET 118 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2pwo h MET 118 CO 0.02 0.07 0.00 0.25 1.06 0.00 0.00 176.91 178.30 2pwo n THR 119 N -3.56 0.77 -1.10 2.22 -2.24 -0.66 -4.60 114.28 105.11 2pwo n THR 119 Ca -0.02 -0.89 -0.32 0.00 -2.27 0.00 0.00 64.05 60.55 2pwo n THR 119 Cb 0.18 0.66 0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.95 2.00 -0.40 4.78 5.04 -0.56 -4.89 115.29 120.31 2pwo s HIS 120 Ca 0.17 1.67 -0.05 0.00 -1.54 0.00 0.00 55.06 55.32 2pwo s HIS 120 Cb 0.09 -3.32 0.09 0.00 0.04 0.00 0.00 32.58 29.49 2pwo s HIS 120 CO 0.13 -2.49 0.20 1.21 -2.34 0.00 0.00 174.74 171.45 2pwo s ASN 121 N -2.61 5.34 0.56 9.88 2.47 -1.26 -1.00 114.94 128.32 2pwo s ASN 121 Ca 0.68 -1.78 -0.06 0.00 0.42 0.00 0.00 52.86 52.11 2pwo s ASN 121 Cb -0.24 -1.87 -0.02 0.00 -1.45 0.00 0.00 41.25 37.68 2pwo s ASN 121 CO 0.53 -0.52 0.88 -2.16 -3.72 0.00 0.00 177.10 172.11 2pwo s PRO 122 N 1.25 3.25 0.55 0.43 0.04 -1.26 -5.12 135.00 134.14 2pwo s PRO 122 Ca 0.05 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.07 2pwo s PRO 122 Cb -0.23 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2pwo s PRO 122 CO -0.02 -0.50 1.33 -2.14 0.04 0.00 0.00 177.00 175.71 2pwo s PRO 123 N -4.93 3.11 -0.51 0.56 0.02 -0.17 -4.98 135.00 128.09 2pwo s PRO 123 Ca 0.52 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.65 2pwo s PRO 123 Cb -0.11 -2.20 0.13 0.00 0.02 0.00 0.00 34.50 32.35 2pwo s PRO 123 CO 0.46 -1.19 0.34 0.42 -0.33 0.00 0.00 177.00 176.70 2pwo s ILE 124 N -1.35 3.68 -1.45 2.83 1.01 -0.41 -4.97 121.20 120.55 2pwo s ILE 124 Ca 0.73 -2.36 -0.13 0.00 0.00 0.00 0.00 60.65 58.89 2pwo s ILE 124 Cb -0.39 -3.45 0.05 0.00 0.01 0.00 0.00 42.46 38.68 2pwo s ILE 124 CO 0.45 -0.79 2.25 -0.81 0.00 0.00 0.00 174.94 176.05 2pwo n PRO 125 N 4.21 3.09 0.22 2.79 -0.04 -1.26 -3.37 135.00 140.63 2pwo n PRO 125 Ca 0.01 -2.71 0.06 0.00 -0.04 0.00 0.00 63.50 60.82 2pwo n PRO 125 Cb 0.40 -3.17 0.54 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.83 1.08 -0.19 0.52 -1.51 -1.90 0.61 116.25 118.70 2pwo h VAL 126 Ca 0.58 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 65.67 2pwo h VAL 126 Cb 0.60 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 2pwo h VAL 126 CO 1.83 0.11 0.02 1.23 -1.23 0.00 0.00 177.57 179.53 2pwo h GLY 127 N 0.34 0.35 1.10 5.19 0.00 -1.85 -1.06 103.07 107.13 2pwo h GLY 127 Ca 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 2pwo h GLY 127 CO 0.01 0.22 0.16 0.83 0.00 0.00 0.00 176.54 177.76 2pwo h GLU 128 N 0.10 1.11 -0.07 4.80 4.39 -1.57 0.44 114.58 123.78 2pwo h GLU 128 Ca 0.06 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 2pwo h GLU 128 Cb 0.34 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2pwo h GLU 128 CO 0.01 0.98 0.03 0.82 -1.16 0.00 0.00 179.01 179.68 2pwo h ILE 129 N 1.05 1.14 -0.89 3.13 2.04 -0.88 -1.62 117.51 121.48 2pwo h ILE 129 Ca 0.22 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2pwo h ILE 129 Cb 0.38 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 2pwo h ILE 129 CO 0.00 0.12 0.53 0.22 0.00 0.00 0.00 178.15 179.02 2pwo h TYR 130 N -0.06 1.18 -0.76 1.37 3.20 -1.03 -1.77 116.97 119.10 2pwo h TYR 130 Ca 0.02 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2pwo h TYR 130 Cb 0.17 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 2pwo h TYR 130 CO -0.02 0.79 0.50 0.87 -1.64 0.00 0.00 178.16 178.67 2pwo h LYS 131 N 1.22 0.88 -0.54 1.82 1.57 -0.69 0.98 116.57 121.81 2pwo h LYS 131 Ca 0.32 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 2pwo h LYS 131 Cb -0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2pwo h LYS 131 CO -0.06 0.58 0.23 -0.09 -0.57 0.00 0.00 179.45 179.54 2pwo h ARG 132 N 0.90 0.80 -0.51 3.15 2.43 -0.41 0.62 114.38 121.36 2pwo h ARG 132 Ca 0.31 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2pwo h ARG 132 Cb 0.10 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2pwo h ARG 132 CO -0.09 0.69 0.15 -1.49 -1.51 0.00 0.00 179.97 177.72 2pwo h TRP 133 N 0.73 0.83 -0.43 2.20 6.55 -0.91 -0.76 115.95 124.17 2pwo h TRP 133 Ca 0.18 -0.09 0.01 0.00 0.95 0.00 0.00 58.89 59.94 2pwo h TRP 133 Cb 0.18 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.22 2pwo h TRP 133 CO 0.00 0.73 0.28 0.82 -1.05 0.00 0.00 178.44 179.22 2pwo h ILE 134 N 0.70 1.09 -0.42 1.49 2.04 -0.46 -1.33 117.51 120.61 2pwo h ILE 134 Ca 0.16 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2pwo h ILE 134 Cb 0.29 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2pwo h ILE 134 CO -0.00 0.10 -0.05 0.40 0.00 0.00 0.00 178.15 178.60 2pwo h ILE 135 N 0.56 1.24 -0.50 -0.67 2.04 -0.62 0.11 117.51 119.67 2pwo h ILE 135 Ca 0.16 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 65.07 2pwo h ILE 135 Cb -0.04 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2pwo h ILE 135 CO -0.05 0.35 0.14 0.25 0.00 0.00 0.00 178.15 178.85 2pwo h LEU 136 N 0.66 0.09 -0.69 1.44 5.85 -0.89 0.43 115.31 122.20 2pwo h LEU 136 Ca 0.12 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2pwo h LEU 136 Cb 0.48 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2pwo h LEU 136 CO 0.02 0.08 0.25 1.23 -0.34 0.00 0.00 178.44 179.68 2pwo h GLY 137 N 0.30 1.13 1.40 3.75 0.00 -0.31 -2.66 103.07 106.69 2pwo h GLY 137 Ca 0.25 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2pwo h GLY 137 CO -0.29 0.60 -0.00 1.41 0.00 0.00 0.00 176.54 178.26 2pwo h LEU 138 N 1.00 0.70 -0.88 3.11 3.38 -0.26 -1.51 115.31 120.85 2pwo h LEU 138 Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2pwo h LEU 138 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2pwo h LEU 138 CO -0.01 0.77 0.27 0.78 0.09 0.00 0.00 178.44 180.33 2pwo h ASN 139 N 0.69 1.01 -0.48 -0.43 2.35 -0.68 -0.98 115.58 117.05 2pwo h ASN 139 Ca 0.14 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2pwo h ASN 139 Cb 0.42 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2pwo h ASN 139 CO 0.02 0.91 0.09 0.11 -1.65 0.00 0.00 177.43 176.91 2pwo h LYS 140 N 1.06 0.79 0.00 0.81 1.57 -1.03 -2.96 116.57 116.81 2pwo h LYS 140 Ca 0.24 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2pwo h LYS 140 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2pwo h LYS 140 CO -0.02 0.79 -0.44 0.82 -0.57 0.00 0.00 179.45 180.04 2pwo h ILE 141 N 0.66 1.02 -0.13 1.86 2.04 -0.85 -2.75 117.51 119.36 2pwo h ILE 141 Ca 0.15 -1.68 0.04 0.00 1.00 0.00 0.00 64.86 64.37 2pwo h ILE 141 Cb 0.38 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2pwo h ILE 141 CO 0.01 0.43 0.14 -0.37 0.00 0.00 0.00 178.15 178.35 2pwo h VAL 142 N 0.00 0.53 0.00 1.67 -1.51 -1.01 0.23 116.25 116.16 2pwo h VAL 142 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2pwo h VAL 142 Cb 0.95 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2pwo h VAL 142 CO 0.06 0.00 -0.02 0.03 -1.23 0.00 0.00 177.57 176.41 2pwo h ARG 143 N 0.00 0.00 0.00 5.19 3.08 -1.61 -1.48 114.38 119.56 2pwo h ARG 143 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2pwo h ARG 143 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2pwo h ARG 143 CO -0.00 0.02 -0.21 -1.33 -1.07 0.00 0.00 179.97 177.38 2pwo n MET 144 N -3.16 0.01 0.00 0.04 2.81 0.81 -5.19 117.12 112.44 2pwo n MET 144 Ca -0.01 0.01 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 2pwo n MET 144 Cb 0.21 -1.51 0.05 0.00 -0.71 0.00 0.00 33.22 31.26 2pwo n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14