#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwo s VAL 3 N 0.00 0.12 -0.15 9.51 1.01 0.49 -4.81 120.40 126.58 2pwo s VAL 3 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 2pwo s VAL 3 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2pwo s VAL 3 CO 0.00 -0.56 0.70 -1.58 0.00 0.00 0.00 175.10 173.66 2pwo s GLN 4 N -2.31 4.31 0.92 2.72 0.74 -1.26 -0.87 119.66 123.91 2pwo s GLN 4 Ca -0.08 0.80 -0.13 0.00 0.05 0.00 0.00 55.36 56.01 2pwo s GLN 4 Cb -0.03 -3.53 0.19 0.00 1.10 0.00 0.00 33.01 30.74 2pwo s GLN 4 CO -0.03 -0.15 1.26 0.54 -0.55 0.00 0.00 175.29 176.36 2pwo s ASN 5 N 1.04 3.29 0.54 6.67 2.20 0.02 -4.92 114.94 123.77 2pwo s ASN 5 Ca 0.34 0.07 0.21 0.00 -0.94 0.00 0.00 52.86 52.54 2pwo s ASN 5 Cb -0.17 -0.15 1.41 0.00 -2.00 0.00 0.00 41.25 40.34 2pwo s ASN 5 CO 0.13 -2.60 2.11 -0.07 -2.94 0.00 0.00 177.10 173.73 2pwo h LEU 6 N -1.43 0.00 0.00 3.54 4.07 -1.98 -1.72 115.31 117.80 2pwo h LEU 6 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2pwo h LEU 6 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2pwo h LEU 6 CO 0.36 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.72 2pwo n GLN 7 N -4.33 0.95 -0.86 1.13 3.00 -1.26 -4.87 117.38 111.13 2pwo n GLN 7 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2pwo n GLN 7 Cb 0.26 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.11 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 0.80 0.58 3.77 1.08 0.00 -0.64 -5.03 105.19 105.74 2pwo n GLY 8 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2pwo n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pwo s GLN 9 N -0.14 2.93 -0.29 1.61 -2.07 -1.26 -4.83 119.66 115.62 2pwo s GLN 9 Ca 0.00 -0.63 -0.24 0.00 -1.82 0.00 0.00 55.36 52.67 2pwo s GLN 9 Cb 0.00 -2.76 -0.00 0.00 -1.09 0.00 0.00 33.01 29.16 2pwo s GLN 9 CO 0.00 0.59 0.82 -1.64 -1.32 0.00 0.00 175.29 173.74 2pwo s MET 10 N -2.15 4.04 0.33 9.60 -1.94 -1.26 -0.80 119.30 127.11 2pwo s MET 10 Ca 0.27 0.73 0.03 0.00 -1.71 0.00 0.00 55.69 55.01 2pwo s MET 10 Cb -0.12 -3.70 -0.05 0.00 2.01 0.00 0.00 34.83 32.97 2pwo s MET 10 CO 0.19 -0.65 0.09 0.14 -0.01 0.00 0.00 175.02 174.79 2pwo s VAL 11 N 2.97 0.82 0.31 -6.03 -7.23 -0.05 -4.90 120.40 106.28 2pwo s VAL 11 Ca 0.34 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 2pwo s VAL 11 Cb -0.14 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 2pwo s VAL 11 CO 0.11 0.00 1.22 -2.28 -0.31 0.00 0.00 175.10 173.84 2pwo s HIS 12 N -3.40 3.28 0.00 2.82 5.65 -1.26 -0.38 115.29 122.00 2pwo s HIS 12 Ca 0.33 1.53 0.07 0.00 0.25 0.00 0.00 55.06 57.24 2pwo s HIS 12 Cb 0.07 -3.51 -0.02 0.00 -1.18 0.00 0.00 32.58 27.93 2pwo s HIS 12 CO 0.15 -1.31 -0.23 1.14 -0.65 0.00 0.00 174.74 173.84 2pwo s GLN 13 N -1.59 1.74 0.95 2.88 -2.07 -1.26 -4.70 119.66 115.61 2pwo s GLN 13 Ca 0.47 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 53.03 2pwo s GLN 13 Cb -0.36 -1.74 0.16 0.00 -1.09 0.00 0.00 33.01 29.98 2pwo s GLN 13 CO 0.48 0.47 1.09 0.00 -1.32 0.00 0.00 175.29 176.01 2pwo s ALA 14 N -0.62 1.14 0.15 2.60 0.00 -1.26 -4.67 121.76 119.11 2pwo s ALA 14 Ca 0.09 0.16 -0.34 0.00 0.00 0.00 0.00 51.96 51.87 2pwo s ALA 14 Cb -0.09 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 2pwo s ALA 14 CO 0.00 -2.75 1.40 1.51 0.00 0.00 0.00 175.76 175.91 2pwo n ILE 15 N -4.19 0.33 -2.75 0.00 3.06 -1.26 -4.89 119.36 109.66 2pwo n ILE 15 Ca 0.08 -0.08 -0.25 0.00 -2.50 0.00 0.00 62.75 60.00 2pwo n ILE 15 Cb 0.54 -1.17 0.01 0.00 0.54 0.00 0.00 39.64 39.56 2pwo n ILE 15 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2pwo s SER 16 N 0.50 5.88 0.23 9.51 1.04 -1.26 -4.87 113.70 124.73 2pwo s SER 16 Ca 0.78 0.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.72 2pwo s SER 16 Cb -0.79 -1.78 0.39 0.00 0.10 0.00 0.00 66.02 63.94 2pwo s SER 16 CO 0.45 -0.77 1.75 -0.65 0.98 0.00 0.00 173.24 175.01 2pwo h PRO 17 N 0.20 0.48 -0.64 4.02 0.11 -1.99 -0.44 132.00 133.74 2pwo h PRO 17 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2pwo h PRO 17 Cb 1.24 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2pwo h PRO 17 CO 0.60 0.32 0.38 0.00 -0.21 0.00 0.00 178.00 179.08 2pwo h ARG 18 N 0.49 0.70 -0.14 1.05 3.08 -1.99 0.15 114.38 117.72 2pwo h ARG 18 Ca 0.38 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2pwo h ARG 18 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2pwo h ARG 18 CO -0.34 0.46 0.04 1.15 -1.07 0.00 0.00 179.97 180.21 2pwo h THR 19 N 0.72 1.20 -0.76 2.04 2.02 -1.80 -2.30 112.91 114.03 2pwo h THR 19 Ca 0.27 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2pwo h THR 19 Cb 0.08 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2pwo h THR 19 CO -0.13 0.18 0.29 -0.07 0.37 0.00 0.00 175.52 176.16 2pwo h LEU 20 N 0.04 1.06 -0.72 2.58 3.38 -0.83 -0.15 115.31 120.66 2pwo h LEU 20 Ca 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2pwo h LEU 20 Cb 0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2pwo h LEU 20 CO 0.00 0.94 0.46 -1.13 0.09 0.00 0.00 178.44 178.80 2pwo h ASN 21 N 1.11 0.85 -0.54 -0.43 -0.73 -0.64 0.44 115.58 115.64 2pwo h ASN 21 Ca 0.25 -0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.33 2pwo h ASN 21 Cb 0.23 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2pwo h ASN 21 CO -0.02 0.64 0.13 0.00 -0.37 0.00 0.00 177.43 177.81 2pwo h ALA 22 N 1.25 0.71 -0.43 1.57 0.00 -1.04 -1.88 119.26 119.44 2pwo h ALA 22 Ca 0.26 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2pwo h ALA 22 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2pwo h ALA 22 CO -0.05 0.41 0.23 2.35 0.00 0.00 0.00 179.25 182.18 2pwo h TRP 23 N 0.76 0.42 0.00 0.00 -0.00 -0.41 -0.36 115.95 116.36 2pwo h TRP 23 Ca 0.17 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.03 2pwo h TRP 23 Cb 0.34 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 2pwo h TRP 23 CO 0.02 0.22 -0.19 -0.39 -0.00 0.00 0.00 178.44 178.10 2pwo h VAL 24 N 0.45 0.85 -0.16 2.65 -1.51 -0.73 0.68 116.25 118.47 2pwo h VAL 24 Ca 0.18 -0.75 -0.21 0.00 -1.23 0.00 0.00 66.70 64.69 2pwo h VAL 24 Cb 0.07 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2pwo h VAL 24 CO -0.11 0.19 -0.72 0.11 -1.23 0.00 0.00 177.57 175.81 2pwo h LYS 25 N 0.00 0.71 -0.12 5.19 1.57 -0.88 -2.05 116.57 121.00 2pwo h LYS 25 Ca -0.00 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2pwo h LYS 25 Cb 0.43 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2pwo h LYS 25 CO 0.03 1.17 0.06 0.28 -0.57 0.00 0.00 179.45 180.41 2pwo h VAL 26 N 0.50 1.11 -0.67 0.50 2.07 -0.57 -1.74 116.25 117.45 2pwo h VAL 26 Ca -0.03 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.27 2pwo h VAL 26 Cb 1.33 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 2pwo h VAL 26 CO 0.14 0.10 0.32 0.58 0.02 0.00 0.00 177.57 178.73 2pwo h VAL 27 N 0.08 0.84 -0.72 2.57 2.07 -0.89 0.17 116.25 120.36 2pwo h VAL 27 Ca 0.04 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2pwo h VAL 27 Cb 0.10 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 2pwo h VAL 27 CO -0.01 0.10 0.42 -0.33 0.02 0.00 0.00 177.57 177.78 2pwo h GLU 28 N 0.55 0.76 0.02 1.57 5.08 -1.05 -2.16 114.58 119.36 2pwo h GLU 28 Ca 0.33 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.34 2pwo h GLU 28 Cb 0.35 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2pwo h GLU 28 CO -0.27 0.50 -1.79 -1.91 -1.00 0.00 0.00 179.01 174.55 2pwo n GLU 29 N -4.72 0.66 0.00 2.33 2.13 -0.68 -4.75 120.64 115.60 2pwo n GLU 29 Ca 0.09 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2pwo n GLU 29 Cb 0.16 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 -3.11 4.73 -2.11 5.31 5.02 0.56 -5.03 118.16 123.53 2pwo n LYS 30 Ca -0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.67 2pwo n LYS 30 Cb 1.06 -0.36 -0.03 0.00 -0.02 0.00 0.00 35.03 35.68 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 -0.71 3.63 -0.46 7.82 0.00 -0.82 0.48 121.76 131.71 2pwo s ALA 31 Ca 0.00 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.13 2pwo s ALA 31 Cb 0.00 -3.59 0.40 0.00 0.00 0.00 0.00 23.12 19.93 2pwo s ALA 31 CO 0.00 -0.80 1.04 1.19 0.00 0.00 0.00 175.76 177.19 2pwo n PHE 32 N 4.62 3.22 -1.00 0.00 3.72 -1.26 -5.02 117.46 121.74 2pwo n PHE 32 Ca 0.13 -3.33 -0.32 0.00 -0.05 0.00 0.00 57.45 53.88 2pwo n PHE 32 Cb 0.42 -0.22 0.13 0.00 -0.94 0.00 0.00 39.48 38.87 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 -3.44 3.56 0.47 4.37 1.04 0.18 -3.97 113.70 115.91 2pwo s SER 33 Ca 0.46 2.16 0.30 0.00 0.48 0.00 0.00 55.95 59.35 2pwo s SER 33 Cb 0.37 -2.56 1.37 0.00 0.10 0.00 0.00 66.02 65.30 2pwo s SER 33 CO -0.15 -2.68 1.74 -0.65 0.98 0.00 0.00 173.24 172.48 2pwo h PRO 34 N -1.32 0.16 -0.01 4.02 0.11 -1.86 -0.74 132.00 132.36 2pwo h PRO 34 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pwo h PRO 34 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2pwo h PRO 34 CO 0.46 0.11 0.02 0.93 -0.21 0.00 0.00 178.00 179.30 2pwo h GLU 35 N 0.16 0.00 0.00 1.05 5.08 -1.90 -2.52 114.58 116.45 2pwo h GLU 35 Ca 0.65 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.94 2pwo h GLU 35 Cb 2.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 2pwo h GLU 35 CO -0.20 0.00 -0.33 -0.24 -1.00 0.00 0.00 179.01 177.24 2pwo h VAL 36 N 0.00 1.13 -0.06 3.13 3.04 -1.34 -3.32 116.25 118.83 2pwo h VAL 36 Ca 0.01 -1.18 -0.03 0.00 -1.01 0.00 0.00 66.70 64.49 2pwo h VAL 36 Cb 0.05 1.66 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2pwo h VAL 36 CO -0.00 0.33 -0.07 0.40 -1.01 0.00 0.00 177.57 177.21 2pwo h ILE 37 N 0.00 1.39 -0.37 3.17 2.04 -1.64 0.30 117.51 122.40 2pwo h ILE 37 Ca -0.00 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.64 2pwo h ILE 37 Cb 0.63 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2pwo h ILE 37 CO 0.04 0.35 0.25 -0.65 0.00 0.00 0.00 178.15 178.15 2pwo h PRO 38 N -0.31 0.20 0.01 2.37 0.11 -1.77 0.52 132.00 133.13 2pwo h PRO 38 Ca 0.01 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 2pwo h PRO 38 Cb 0.60 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2pwo h PRO 38 CO 0.02 0.13 -0.60 0.52 -0.21 0.00 0.00 178.00 177.86 2pwo h MET 39 N 0.21 0.40 -0.59 1.05 2.86 -1.60 -2.11 114.93 115.14 2pwo h MET 39 Ca 0.17 -0.44 0.07 0.00 -2.06 0.00 0.00 59.70 57.43 2pwo h MET 39 Cb 0.39 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 2pwo h MET 39 CO -0.03 1.11 0.28 0.35 1.06 0.00 0.00 176.91 179.68 2pwo h PHE 40 N -0.13 0.50 -0.37 -0.22 3.57 -0.50 -0.10 116.94 119.71 2pwo h PHE 40 Ca -0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.47 2pwo h PHE 40 Cb 1.32 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 2pwo h PHE 40 CO 0.15 0.21 0.20 1.03 -2.23 0.00 0.00 178.31 177.67 2pwo h SER 41 N 0.52 0.32 -0.20 0.41 0.87 -0.83 -1.00 113.55 113.64 2pwo h SER 41 Ca 0.28 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 2pwo h SER 41 Cb 0.24 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2pwo h SER 41 CO -0.22 0.23 -0.59 0.00 -0.53 0.00 0.00 176.83 175.72 2pwo h ALA 42 N 1.17 0.34 0.00 6.23 0.00 -1.18 -3.13 119.26 122.70 2pwo h ALA 42 Ca 0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2pwo h ALA 42 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2pwo h ALA 42 CO -0.08 0.59 -0.27 -0.07 0.00 0.00 0.00 179.25 179.41 2pwo h LEU 43 N 0.48 0.00 -1.64 0.00 3.38 -0.83 -1.94 115.31 114.76 2pwo h LEU 43 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pwo h LEU 43 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2pwo h LEU 43 CO 0.13 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.39 2pwo n SER 44 N -3.71 2.39 -4.67 -0.43 3.41 -0.40 -4.92 113.62 105.30 2pwo n SER 44 Ca -0.01 -2.01 -0.47 0.00 -0.26 0.00 0.00 58.87 56.12 2pwo n SER 44 Cb 0.38 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.78 2.08 -0.90 4.33 2.13 -0.73 -1.48 120.64 126.84 2pwo n GLU 45 Ca 0.15 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2pwo n GLU 45 Cb 0.38 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.56 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 3.54 0.64 3.77 8.31 0.00 -1.26 -5.00 105.19 115.19 2pwo n GLY 46 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.84 3.39 0.73 4.61 0.00 -0.55 -5.04 121.76 122.05 2pwo s ALA 47 Ca 0.00 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 2pwo s ALA 47 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2pwo s ALA 47 CO 0.00 -0.85 1.11 0.95 0.00 0.00 0.00 175.76 176.97 2pwo s THR 48 N -1.19 2.99 0.32 0.00 -4.23 -1.26 -4.36 115.64 107.91 2pwo s THR 48 Ca 0.54 0.28 0.08 0.00 -1.18 0.00 0.00 61.69 61.41 2pwo s THR 48 Cb -0.41 -3.31 0.31 0.00 1.34 0.00 0.00 72.50 70.44 2pwo s THR 48 CO 0.53 -0.40 1.79 -0.65 -0.54 0.00 0.00 174.62 175.35 2pwo h PRO 49 N -0.75 0.69 -0.78 3.99 0.11 -1.86 -0.14 132.00 133.27 2pwo h PRO 49 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pwo h PRO 49 Cb 1.28 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2pwo h PRO 49 CO 0.64 0.46 0.48 1.96 -0.21 0.00 0.00 178.00 181.32 2pwo h GLN 50 N 0.71 1.05 -0.62 1.05 4.20 -1.91 0.46 115.11 120.04 2pwo h GLN 50 Ca 0.56 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 59.10 2pwo h GLN 50 Cb 0.95 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2pwo h GLN 50 CO -0.34 0.73 0.06 -0.44 -0.67 0.00 0.00 178.83 178.17 2pwo h ASP 51 N 1.06 1.02 -0.71 1.46 3.32 -1.61 -1.86 116.42 119.10 2pwo h ASP 51 Ca 0.28 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2pwo h ASP 51 Cb -0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 2pwo h ASP 51 CO -0.05 1.05 0.17 -0.07 -1.72 0.00 0.00 179.24 178.61 2pwo h LEU 52 N 0.96 1.08 -1.26 1.55 3.38 -0.52 -1.26 115.31 119.24 2pwo h LEU 52 Ca 0.18 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2pwo h LEU 52 Cb 0.49 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2pwo h LEU 52 CO 0.02 1.04 -0.35 0.78 0.09 0.00 0.00 178.44 180.02 2pwo h ASN 53 N 1.08 0.04 -0.34 -0.43 -0.26 -0.68 -0.48 115.58 114.51 2pwo h ASN 53 Ca 0.22 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 2pwo h ASN 53 Cb 0.38 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 2pwo h ASN 53 CO 0.00 0.39 0.16 0.74 -1.06 0.00 0.00 177.43 177.66 2pwo h THR 54 N 0.04 1.16 -0.73 2.81 2.02 -0.84 -0.49 112.91 116.88 2pwo h THR 54 Ca 0.00 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.73 2pwo h THR 54 Cb 0.63 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 2pwo h THR 54 CO 0.05 0.17 0.47 0.24 0.37 0.00 0.00 175.52 176.82 2pwo h MET 55 N 0.41 0.89 -0.27 6.66 2.86 -0.61 -1.99 114.93 122.89 2pwo h MET 55 Ca 0.12 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2pwo h MET 55 Cb 0.13 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2pwo h MET 55 CO -0.01 0.59 -0.30 -0.07 1.06 0.00 0.00 176.91 178.17 2pwo h LEU 56 N 0.92 0.57 -1.20 1.22 3.38 -0.91 -2.77 115.31 116.52 2pwo h LEU 56 Ca 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pwo h LEU 56 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2pwo h LEU 56 CO -0.10 0.84 0.00 0.59 0.09 0.00 0.00 178.44 179.86 2pwo n ASN 57 N -4.08 1.75 -1.07 -0.43 4.13 -0.21 -3.13 115.26 112.22 2pwo n ASN 57 Ca -0.01 -1.90 0.10 0.00 1.68 0.00 0.00 54.58 54.45 2pwo n ASN 57 Cb 0.45 -0.19 0.25 0.00 -1.54 0.00 0.00 39.78 38.75 2pwo n ASN 57 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2pwo n THR 58 N 0.43 0.91 -2.71 3.41 -2.24 -0.79 -4.90 114.28 108.40 2pwo n THR 58 Ca 0.13 -0.95 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 2pwo n THR 58 Cb 0.30 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.06 4.70 -0.10 2.28 1.01 -1.18 -4.96 120.40 121.09 2pwo s VAL 59 Ca 0.38 1.91 -0.17 0.00 0.00 0.00 0.00 61.98 64.10 2pwo s VAL 59 Cb 0.20 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2pwo s VAL 59 CO 0.27 -0.18 0.46 -0.83 0.00 0.00 0.00 175.10 174.82 2pwo s GLY 60 N 1.26 2.40 0.00 4.51 0.00 -1.26 -4.92 107.32 109.31 2pwo s GLY 60 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2pwo s GLY 60 CO 0.07 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.44 2pwo n GLY 61 N 3.05 -0.92 3.89 0.20 0.00 -1.26 -4.97 105.19 105.17 2pwo n GLY 61 Ca -0.08 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.06 -0.30 1.61 -0.00 -1.26 -4.83 115.22 108.38 2pwo n HIS 62 Ca 0.00 0.86 -0.05 0.00 -0.00 0.00 0.00 57.72 58.53 2pwo n HIS 62 Cb 0.00 -3.98 0.07 0.00 -0.00 0.00 0.00 29.99 26.08 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 -1.94 1.19 -0.49 -0.41 1.08 -1.97 -0.35 115.11 112.22 2pwo h GLN 63 Ca -0.60 -0.18 0.04 0.00 -1.45 0.00 0.00 58.65 56.46 2pwo h GLN 63 Cb 1.37 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 28.55 2pwo h GLN 63 CO 0.65 0.92 0.26 0.00 -0.95 0.00 0.00 178.83 179.71 2pwo h ALA 64 N 1.20 0.63 -0.64 3.87 0.00 -2.00 -0.38 119.26 121.94 2pwo h ALA 64 Ca 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2pwo h ALA 64 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2pwo h ALA 64 CO -0.03 -0.07 0.30 0.00 0.00 0.00 0.00 179.25 179.45 2pwo h ALA 65 N 1.25 0.83 0.00 0.00 0.00 -1.69 -1.78 119.26 117.87 2pwo h ALA 65 Ca 0.21 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2pwo h ALA 65 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2pwo h ALA 65 CO -0.13 0.40 -0.48 0.52 0.00 0.00 0.00 179.25 179.56 2pwo h MET 66 N 0.89 0.00 -0.37 0.00 2.07 -0.67 -0.36 114.93 116.48 2pwo h MET 66 Ca 0.22 0.00 -0.14 0.00 -2.07 0.00 0.00 59.70 57.71 2pwo h MET 66 Cb 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.85 2pwo h MET 66 CO -0.03 0.48 -0.31 0.37 1.07 0.00 0.00 176.91 178.49 2pwo h GLN 67 N 0.00 0.86 -0.88 1.72 5.75 -0.66 -1.84 115.11 120.05 2pwo h GLN 67 Ca -0.00 -0.43 0.04 0.00 -0.15 0.00 0.00 58.65 58.10 2pwo h GLN 67 Cb 1.01 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.51 2pwo h GLN 67 CO 0.06 1.08 0.57 1.98 -2.65 0.00 0.00 178.83 179.87 2pwo h MET 68 N 0.66 1.06 -0.53 1.69 4.05 -0.80 -1.57 114.93 119.49 2pwo h MET 68 Ca 0.07 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2pwo h MET 68 Cb 0.89 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 2pwo h MET 68 CO 0.08 0.70 0.28 1.25 0.23 0.00 0.00 176.91 179.46 2pwo h LEU 69 N 1.10 0.67 -0.88 3.39 5.85 -0.86 -0.69 115.31 123.89 2pwo h LEU 69 Ca 0.36 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 2pwo h LEU 69 Cb 0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2pwo h LEU 69 CO -0.12 0.58 0.06 0.50 -0.34 0.00 0.00 178.44 179.12 2pwo h LYS 70 N 0.71 0.89 -0.58 1.25 3.64 -0.87 0.30 116.57 121.92 2pwo h LYS 70 Ca 0.19 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2pwo h LYS 70 Cb 0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2pwo h LYS 70 CO -0.03 0.85 0.13 0.93 -2.27 0.00 0.00 179.45 179.06 2pwo h GLU 71 N 0.84 0.94 -0.29 1.90 5.08 -0.97 -1.43 114.58 120.66 2pwo h GLU 71 Ca 0.17 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2pwo h GLU 71 Cb 0.41 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2pwo h GLU 71 CO 0.01 0.87 0.15 1.15 -1.00 0.00 0.00 179.01 180.19 2pwo h THR 72 N 0.84 1.14 -0.55 1.13 2.02 -0.46 -1.93 112.91 115.10 2pwo h THR 72 Ca 0.18 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2pwo h THR 72 Cb 0.37 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2pwo h THR 72 CO 0.00 0.14 0.36 0.40 0.37 0.00 0.00 175.52 176.79 2pwo h ILE 73 N 0.34 1.15 -0.91 3.11 2.04 -0.85 -0.07 117.51 122.32 2pwo h ILE 73 Ca 0.10 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2pwo h ILE 73 Cb 0.09 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 2pwo h ILE 73 CO -0.01 0.14 0.59 0.78 0.00 0.00 0.00 178.15 179.64 2pwo h ASN 74 N 0.74 1.05 -0.17 1.72 2.35 -1.09 0.19 115.58 120.37 2pwo h ASN 74 Ca 0.20 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2pwo h ASN 74 Cb -0.07 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.03 2pwo h ASN 74 CO -0.04 0.77 -0.29 -0.08 -1.65 0.00 0.00 177.43 176.14 2pwo h GLU 75 N 1.23 0.49 -0.29 0.81 4.57 -0.97 -2.27 114.58 118.15 2pwo h GLU 75 Ca 0.33 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 2pwo h GLU 75 Cb -0.12 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2pwo h GLU 75 CO -0.07 0.91 -0.15 0.93 -1.18 0.00 0.00 179.01 179.45 2pwo h GLU 76 N 0.13 0.51 -0.45 1.92 4.39 -0.71 -0.09 114.58 120.29 2pwo h GLU 76 Ca 0.01 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2pwo h GLU 76 Cb 0.88 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2pwo h GLU 76 CO 0.07 0.65 0.12 0.00 -1.16 0.00 0.00 179.01 178.69 2pwo h ALA 77 N 1.38 0.59 -0.62 3.43 0.00 -0.95 0.15 119.26 123.23 2pwo h ALA 77 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2pwo h ALA 77 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2pwo h ALA 77 CO 0.03 0.25 0.16 0.00 0.00 0.00 0.00 179.25 179.69 2pwo h ALA 78 N 0.98 0.82 -0.21 0.00 0.00 -0.98 -2.00 119.26 117.87 2pwo h ALA 78 Ca 0.14 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2pwo h ALA 78 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pwo h ALA 78 CO -0.00 0.53 -0.44 0.93 0.00 0.00 0.00 179.25 180.26 2pwo h GLU 79 N 0.91 0.51 -0.32 0.00 4.39 -0.80 -1.59 114.58 117.68 2pwo h GLU 79 Ca 0.20 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.67 2pwo h GLU 79 Cb 0.35 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 2pwo h GLU 79 CO 0.00 0.86 0.08 2.35 -1.16 0.00 0.00 179.01 181.14 2pwo h TRP 80 N 0.41 0.14 -0.65 4.33 2.91 -0.43 -0.71 115.95 121.95 2pwo h TRP 80 Ca 0.03 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.02 2pwo h TRP 80 Cb 0.94 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.55 2pwo h TRP 80 CO 0.03 0.04 0.23 -0.44 -1.03 0.00 0.00 178.44 177.28 2pwo h ASP 81 N 0.20 0.93 -0.82 2.65 3.32 -1.03 -0.69 116.42 120.97 2pwo h ASP 81 Ca 0.15 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2pwo h ASP 81 Cb 0.15 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2pwo h ASP 81 CO -0.18 0.86 0.46 -0.09 -1.72 0.00 0.00 179.24 178.58 2pwo h ARG 82 N 0.93 1.13 -0.01 3.56 2.43 -0.99 -3.24 114.38 118.20 2pwo h ARG 82 Ca 0.21 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2pwo h ARG 82 Cb 0.25 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2pwo h ARG 82 CO -0.01 0.82 -0.28 1.28 -1.51 0.00 0.00 179.97 180.27 2pwo n LEU 83 N -4.42 0.93 -3.40 3.80 4.77 -0.30 -4.37 117.00 114.01 2pwo n LEU 83 Ca 0.08 -0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.58 2pwo n LEU 83 Cb 0.08 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2pwo n LEU 83 CO 0.38 0.18 0.02 1.41 -1.33 0.00 0.00 177.39 178.05 2pwo n HIS 84 N -0.77 3.09 -1.79 -1.77 8.25 -0.31 -5.07 115.22 116.86 2pwo n HIS 84 Ca 0.11 -4.08 -0.41 0.00 -0.26 0.00 0.00 57.72 53.09 2pwo n HIS 84 Cb 0.34 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.27 3.99 0.13 -0.41 0.02 -1.26 -4.86 135.00 130.34 2pwo s PRO 85 Ca 0.39 2.55 0.04 0.00 0.02 0.00 0.00 61.00 64.00 2pwo s PRO 85 Cb 0.15 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 2pwo s PRO 85 CO -0.03 -0.62 -0.10 0.14 -0.33 0.00 0.00 177.00 176.06 2pwo s VAL 86 N -1.14 1.09 1.10 3.83 -7.23 -1.26 -5.16 120.40 111.63 2pwo s VAL 86 Ca 0.55 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.62 2pwo s VAL 86 Cb -0.46 -1.75 0.25 0.00 0.56 0.00 0.00 36.38 34.98 2pwo s VAL 86 CO 0.62 -0.72 1.06 -1.00 -0.31 0.00 0.00 175.10 174.74 2pwo s HIS 87 N -3.18 1.68 0.42 2.82 3.76 -1.26 -4.95 115.29 114.58 2pwo s HIS 87 Ca 0.14 1.07 0.13 0.00 -0.15 0.00 0.00 55.06 56.25 2pwo s HIS 87 Cb 0.02 -3.17 0.98 0.00 1.11 0.00 0.00 32.58 31.52 2pwo s HIS 87 CO -0.00 -3.48 1.95 0.00 -0.85 0.00 0.00 174.74 172.37 2pwo h ALA 88 N -2.33 1.99 -2.41 -1.40 0.00 -2.05 -3.46 119.26 109.61 2pwo h ALA 88 Ca -0.59 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.51 2pwo h ALA 88 Cb 1.33 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2pwo h ALA 88 CO 0.54 -0.14 0.62 0.20 0.00 0.00 0.00 179.25 180.47 2pwo s GLY 89 N -3.76 0.02 0.37 0.00 0.00 -1.26 -5.14 107.32 97.55 2pwo s GLY 89 Ca -0.08 -0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.17 2pwo s GLY 89 CO 0.76 2.37 1.46 2.56 0.00 0.00 0.00 173.10 180.25 2pwo s PRO 90 N -2.30 4.14 0.18 2.90 0.04 -1.26 -4.92 135.00 133.78 2pwo s PRO 90 Ca 0.21 2.52 0.03 0.00 0.04 0.00 0.00 61.00 63.80 2pwo s PRO 90 Cb -0.02 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.60 2pwo s PRO 90 CO 0.04 -0.49 1.42 -0.84 0.04 0.00 0.00 177.00 177.18 2pwo h ILE 91 N 2.99 1.46 -3.30 0.56 -0.00 -1.98 -3.43 117.51 113.81 2pwo h ILE 91 Ca -0.51 -2.42 -0.57 0.00 -0.00 0.00 0.00 64.86 61.37 2pwo h ILE 91 Cb 1.24 2.32 -0.05 0.00 -0.00 0.00 0.00 36.82 40.33 2pwo h ILE 91 CO 0.64 0.71 -0.01 -1.61 -0.00 0.00 0.00 178.15 177.89 2pwo s GLU 92 N -3.37 4.31 0.00 0.16 0.41 -1.26 -5.04 118.70 113.91 2pwo s GLU 92 Ca -0.03 0.75 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 2pwo s GLU 92 Cb 0.11 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2pwo s GLU 92 CO 0.82 0.41 0.88 -2.30 -0.49 0.00 0.00 175.26 174.58 2pwo n PRO 93 N 2.56 0.00 -0.15 0.39 -0.02 -1.26 -2.57 135.00 133.95 2pwo n PRO 93 Ca -0.07 0.87 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 2pwo n PRO 93 Cb 0.51 -1.38 0.11 0.00 -0.02 0.00 0.00 33.50 32.71 2pwo n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwo n GLY 94 N -1.00 0.45 3.77 -1.23 0.00 -1.26 -4.93 105.19 100.99 2pwo n GLY 94 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2pwo n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwo s GLN 95 N -1.66 4.14 0.05 1.61 0.74 -1.06 -4.96 119.66 118.51 2pwo s GLN 95 Ca 0.16 1.77 -0.30 0.00 0.05 0.00 0.00 55.36 57.04 2pwo s GLN 95 Cb 0.09 -2.70 -0.09 0.00 1.10 0.00 0.00 33.01 31.40 2pwo s GLN 95 CO 0.09 -0.23 1.96 1.41 -0.55 0.00 0.00 175.29 177.97 2pwo s MET 96 N -2.25 4.14 0.62 1.67 -2.45 -1.26 -4.82 119.30 114.94 2pwo s MET 96 Ca 0.56 2.62 -0.18 0.00 -1.25 0.00 0.00 55.69 57.44 2pwo s MET 96 Cb -0.29 -4.09 -0.03 0.00 1.25 0.00 0.00 34.83 31.67 2pwo s MET 96 CO 0.37 -0.94 1.24 -0.98 1.05 0.00 0.00 175.02 175.76 2pwo s ARG 97 N 4.24 2.79 0.27 4.11 1.70 -1.26 -4.90 118.95 125.91 2pwo s ARG 97 Ca 0.88 1.93 -0.30 0.00 -0.47 0.00 0.00 55.73 57.77 2pwo s ARG 97 Cb -0.43 -1.89 -0.09 0.00 -0.57 0.00 0.00 34.95 31.96 2pwo s ARG 97 CO 0.41 -1.37 1.06 -1.21 -1.08 0.00 0.00 175.30 173.11 2pwo s GLU 98 N -3.35 4.70 0.25 3.89 0.41 -1.26 -5.02 118.70 118.31 2pwo s GLU 98 Ca 0.80 1.72 -0.30 0.00 -0.41 0.00 0.00 54.97 56.78 2pwo s GLU 98 Cb -0.33 -3.21 -0.09 0.00 -1.78 0.00 0.00 34.13 28.72 2pwo s GLU 98 CO 0.36 0.29 1.08 -1.25 -0.49 0.00 0.00 175.26 175.24 2pwo s PRO 99 N -1.38 4.66 0.83 0.39 0.04 -1.26 -5.05 135.00 133.23 2pwo s PRO 99 Ca 0.44 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.13 2pwo s PRO 99 Cb -0.30 -3.23 0.16 0.00 0.04 0.00 0.00 34.50 31.17 2pwo s PRO 99 CO 0.39 0.22 1.14 0.50 0.04 0.00 0.00 177.00 179.29 2pwo s ARG 100 N -1.11 1.23 0.20 4.56 3.52 -1.26 -4.91 118.95 121.18 2pwo s ARG 100 Ca 0.45 -0.76 -0.10 0.00 -0.13 0.00 0.00 55.73 55.19 2pwo s ARG 100 Cb -0.30 -2.10 0.21 0.00 -1.56 0.00 0.00 34.95 31.19 2pwo s ARG 100 CO 0.38 -1.88 1.82 0.78 -0.81 0.00 0.00 175.30 175.59 2pwo h GLY 101 N -1.04 0.95 2.00 8.12 0.00 -1.92 -1.90 103.07 109.27 2pwo h GLY 101 Ca -0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 2pwo h GLY 101 CO 0.40 0.19 -0.12 1.48 0.00 0.00 0.00 176.54 178.48 2pwo h SER 102 N 0.71 0.00 -0.04 0.19 4.64 -1.95 -0.68 113.55 116.42 2pwo h SER 102 Ca 0.28 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.45 2pwo h SER 102 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2pwo h SER 102 CO -0.15 0.12 -0.58 0.44 -0.87 0.00 0.00 176.83 175.79 2pwo h ASP 103 N 0.00 0.57 -0.64 4.97 3.32 -1.74 -0.75 116.42 122.16 2pwo h ASP 103 Ca -0.00 -0.71 -0.03 0.00 0.02 0.00 0.00 57.03 56.30 2pwo h ASP 103 Cb 0.52 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2pwo h ASP 103 CO 0.02 1.21 0.28 0.40 -1.72 0.00 0.00 179.24 179.42 2pwo h ILE 104 N -0.01 1.23 0.00 0.35 2.04 -0.75 -2.06 117.51 118.32 2pwo h ILE 104 Ca -0.06 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2pwo h ILE 104 Cb 1.26 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2pwo h ILE 104 CO 0.12 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.55 2pwo n ALA 105 N -2.44 2.36 -0.86 1.87 0.00 -0.32 -4.67 120.51 116.45 2pwo n ALA 105 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2pwo n ALA 105 Cb 0.16 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.17 0.59 0.14 0.00 0.00 -0.77 -4.91 105.19 101.41 2pwo n GLY 106 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.43 0.00 2.61 1.35 -1.39 -3.37 112.91 112.53 2pwo h THR 107 Ca 0.00 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 2pwo h THR 107 Cb 0.00 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2pwo h THR 107 CO 0.00 0.24 0.00 0.35 -0.25 0.00 0.00 175.52 175.86 2pwo n THR 108 N -3.03 0.74 -4.39 6.82 -2.24 -1.00 -5.02 114.28 106.16 2pwo n THR 108 Ca -0.00 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 2pwo n THR 108 Cb 0.68 0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.74 4.08 0.60 3.42 1.04 -1.26 -4.84 113.70 116.00 2pwo s SER 109 Ca 0.00 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 55.93 2pwo s SER 109 Cb 0.00 -0.70 0.01 0.00 0.10 0.00 0.00 66.02 65.43 2pwo s SER 109 CO 0.00 0.21 0.91 0.42 0.98 0.00 0.00 173.24 175.76 2pwo s THR 110 N -1.10 3.62 0.18 2.02 -4.23 -1.26 -4.89 115.64 109.98 2pwo s THR 110 Ca 0.18 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.55 2pwo s THR 110 Cb -0.11 -3.44 0.12 0.00 1.34 0.00 0.00 72.50 70.41 2pwo s THR 110 CO 0.10 -0.46 1.67 0.25 -0.54 0.00 0.00 174.62 175.64 2pwo h LEU 111 N -0.20 -0.30 -1.67 4.79 5.85 -1.99 -0.77 115.31 121.03 2pwo h LEU 111 Ca -0.45 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2pwo h LEU 111 Cb 1.26 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2pwo h LEU 111 CO 0.61 -0.10 -0.05 1.56 -0.34 0.00 0.00 178.44 180.11 2pwo h GLN 112 N 0.06 0.15 -0.23 1.25 1.08 -1.99 -0.33 115.11 115.10 2pwo h GLN 112 Ca 0.23 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 2pwo h GLN 112 Cb 0.34 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2pwo h GLN 112 CO -0.42 0.21 -0.20 0.93 -0.95 0.00 0.00 178.83 178.40 2pwo h GLU 113 N 0.14 0.54 -0.27 1.46 5.08 -1.79 -0.24 114.58 119.51 2pwo h GLU 113 Ca 0.03 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2pwo h GLU 113 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2pwo h GLU 113 CO 0.01 0.85 0.12 1.96 -1.00 0.00 0.00 179.01 180.95 2pwo h GLN 114 N 0.24 0.25 -0.58 2.33 4.20 -0.30 -0.77 115.11 120.47 2pwo h GLN 114 Ca 0.04 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2pwo h GLN 114 Cb 0.74 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2pwo h GLN 114 CO 0.05 0.16 0.13 0.82 -0.67 0.00 0.00 178.83 179.33 2pwo h ILE 115 N 0.25 1.24 -0.62 2.54 2.04 -1.09 -0.81 117.51 121.06 2pwo h ILE 115 Ca 0.11 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.17 2pwo h ILE 115 Cb 0.05 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2pwo h ILE 115 CO -0.09 0.33 0.30 1.23 0.00 0.00 0.00 178.15 179.91 2pwo h GLY 116 N 1.01 0.89 0.65 5.37 0.00 -0.44 -0.87 103.07 109.69 2pwo h GLY 116 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2pwo h GLY 116 CO 0.00 0.07 -0.16 1.49 0.00 0.00 0.00 176.54 177.94 2pwo h TRP 117 N 0.54 0.33 0.00 5.60 6.55 -0.84 -2.26 115.95 125.87 2pwo h TRP 117 Ca 0.29 -0.12 -0.01 0.00 0.95 0.00 0.00 58.89 60.01 2pwo h TRP 117 Cb 0.27 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 2pwo h TRP 117 CO -0.12 0.76 -0.05 0.52 -1.05 0.00 0.00 178.44 178.50 2pwo h MET 118 N -0.19 0.00 -0.33 0.49 2.86 -0.74 -0.14 114.93 116.88 2pwo h MET 118 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2pwo h MET 118 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2pwo h MET 118 CO 0.04 0.05 0.00 0.25 1.06 0.00 0.00 176.91 178.31 2pwo n THR 119 N -4.04 0.82 -0.66 2.22 -2.24 -0.37 -4.54 114.28 105.47 2pwo n THR 119 Ca -0.03 -0.91 -0.31 0.00 -2.27 0.00 0.00 64.05 60.53 2pwo n THR 119 Cb 0.14 0.64 0.17 0.00 -2.10 0.00 0.00 70.33 69.18 2pwo n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pwo n HIS 120 N 0.68 0.08 -4.00 4.78 -0.00 -0.85 -4.88 115.22 111.03 2pwo n HIS 120 Ca 0.12 0.28 -0.32 0.00 -0.00 0.00 0.00 57.72 57.81 2pwo n HIS 120 Cb 0.43 -1.91 -0.15 0.00 -0.00 0.00 0.00 29.99 28.37 2pwo n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2pwo s ASN 121 N -2.47 4.74 0.65 0.26 2.47 -1.26 -1.27 114.94 118.05 2pwo s ASN 121 Ca 0.65 -1.86 -0.11 0.00 0.42 0.00 0.00 52.86 51.96 2pwo s ASN 121 Cb -0.23 -1.63 -0.02 0.00 -1.45 0.00 0.00 41.25 37.92 2pwo s ASN 121 CO 0.61 -0.33 1.04 -2.16 -3.72 0.00 0.00 177.10 172.54 2pwo s PRO 122 N 1.01 3.38 0.49 0.43 0.05 -1.26 -5.10 135.00 133.99 2pwo s PRO 122 Ca 0.04 0.76 -0.23 0.00 0.05 0.00 0.00 61.00 61.62 2pwo s PRO 122 Cb -0.20 -2.05 -0.07 0.00 0.05 0.00 0.00 34.50 32.22 2pwo s PRO 122 CO -0.06 -0.73 1.27 -2.30 0.05 0.00 0.00 177.00 175.23 2pwo n PRO 123 N -2.86 1.74 -3.67 0.56 -0.02 -0.40 -4.97 135.00 125.38 2pwo n PRO 123 Ca 0.06 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 2pwo n PRO 123 Cb 0.54 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 2pwo n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pwo s ILE 124 N -1.27 3.87 -1.34 4.25 1.01 -0.11 -4.96 121.20 122.66 2pwo s ILE 124 Ca 0.66 -2.52 -0.14 0.00 0.00 0.00 0.00 60.65 58.65 2pwo s ILE 124 Cb -0.46 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.57 2pwo s ILE 124 CO 0.54 -0.83 1.90 -0.81 0.00 0.00 0.00 174.94 175.74 2pwo n PRO 125 N 4.01 3.20 0.20 2.79 -0.04 -1.26 -3.21 135.00 140.68 2pwo n PRO 125 Ca 0.04 -3.18 0.04 0.00 -0.04 0.00 0.00 63.50 60.36 2pwo n PRO 125 Cb 0.40 -3.22 0.46 0.00 -0.04 0.00 0.00 33.50 31.10 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 4.43 1.16 -0.29 0.52 -1.51 -1.88 0.03 116.25 118.70 2pwo h VAL 126 Ca 0.46 -0.74 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 2pwo h VAL 126 Cb 0.73 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2pwo h VAL 126 CO 1.62 0.22 0.01 1.23 -1.23 0.00 0.00 177.57 179.42 2pwo h GLY 127 N 0.66 0.55 1.12 5.19 0.00 -1.86 -0.91 103.07 107.81 2pwo h GLY 127 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2pwo h GLY 127 CO 0.03 0.36 0.39 0.83 0.00 0.00 0.00 176.54 178.15 2pwo h GLU 128 N 0.30 1.14 -0.14 4.80 4.39 -1.52 -0.01 114.58 123.55 2pwo h GLU 128 Ca 0.08 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2pwo h GLU 128 Cb 0.41 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2pwo h GLU 128 CO 0.01 0.87 0.02 0.82 -1.16 0.00 0.00 179.01 179.58 2pwo h ILE 129 N 1.14 1.22 -0.70 3.13 2.04 -0.90 -1.67 117.51 121.76 2pwo h ILE 129 Ca 0.28 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2pwo h ILE 129 Cb 0.10 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2pwo h ILE 129 CO -0.04 0.20 0.29 0.22 0.00 0.00 0.00 178.15 178.82 2pwo h TYR 130 N 0.01 1.06 -0.84 1.37 3.20 -1.04 -1.67 116.97 119.05 2pwo h TYR 130 Ca 0.04 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.91 2pwo h TYR 130 Cb 0.29 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 2pwo h TYR 130 CO 0.02 0.81 0.55 0.87 -1.64 0.00 0.00 178.16 178.77 2pwo h LYS 131 N 0.99 0.85 -0.52 1.82 1.57 -0.84 -0.14 116.57 120.30 2pwo h LYS 131 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2pwo h LYS 131 Cb 0.20 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2pwo h LYS 131 CO -0.02 0.56 0.23 -0.09 -0.57 0.00 0.00 179.45 179.56 2pwo h ARG 132 N 0.87 0.76 -0.76 3.15 2.43 -0.38 0.17 114.38 120.63 2pwo h ARG 132 Ca 0.37 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2pwo h ARG 132 Cb 0.32 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2pwo h ARG 132 CO -0.14 0.65 0.40 -1.49 -1.51 0.00 0.00 179.97 177.88 2pwo h TRP 133 N 0.70 1.06 -0.45 2.20 6.55 -0.83 0.16 115.95 125.33 2pwo h TRP 133 Ca 0.18 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.96 2pwo h TRP 133 Cb 0.15 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 28.09 2pwo h TRP 133 CO -0.00 0.75 0.19 0.82 -1.05 0.00 0.00 178.44 179.15 2pwo h ILE 134 N 1.06 1.20 -0.32 1.49 2.04 -0.60 -1.47 117.51 120.91 2pwo h ILE 134 Ca 0.27 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 2pwo h ILE 134 Cb 0.06 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2pwo h ILE 134 CO -0.04 0.23 -0.16 0.40 0.00 0.00 0.00 178.15 178.57 2pwo h ILE 135 N 0.58 1.25 -0.83 -0.67 2.04 -0.37 0.14 117.51 119.65 2pwo h ILE 135 Ca 0.15 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.88 2pwo h ILE 135 Cb 0.18 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 2pwo h ILE 135 CO -0.01 0.38 0.54 0.25 0.00 0.00 0.00 178.15 179.31 2pwo h LEU 136 N 0.53 0.92 -0.40 1.44 5.85 -0.74 0.18 115.31 123.10 2pwo h LEU 136 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2pwo h LEU 136 Cb 0.58 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2pwo h LEU 136 CO 0.04 0.65 0.15 1.23 -0.34 0.00 0.00 178.44 180.17 2pwo h GLY 137 N 1.09 0.64 1.30 3.75 0.00 -0.23 -2.97 103.07 106.65 2pwo h GLY 137 Ca 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2pwo h GLY 137 CO -0.09 0.33 0.44 1.41 0.00 0.00 0.00 176.54 178.63 2pwo h LEU 138 N 0.49 0.82 -1.66 3.11 3.38 -0.29 -1.63 115.31 119.54 2pwo h LEU 138 Ca 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pwo h LEU 138 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pwo h LEU 138 CO -0.01 0.62 -0.08 0.78 0.09 0.00 0.00 178.44 179.84 2pwo h ASN 139 N 0.96 0.00 0.03 -0.43 4.21 -0.82 -0.01 115.58 119.52 2pwo h ASN 139 Ca 0.25 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.66 2pwo h ASN 139 Cb -0.07 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.14 2pwo h ASN 139 CO -0.05 0.08 -0.43 0.11 -1.29 0.00 0.00 177.43 175.85 2pwo h LYS 140 N 0.00 0.24 -0.22 0.81 1.57 -1.27 -3.37 116.57 114.32 2pwo h LYS 140 Ca -0.00 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2pwo h LYS 140 Cb 0.47 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2pwo h LYS 140 CO 0.01 1.05 -0.26 0.82 -0.57 0.00 0.00 179.45 180.50 2pwo h ILE 141 N -0.43 1.26 -0.05 1.86 2.04 -0.73 -2.91 117.51 118.56 2pwo h ILE 141 Ca -0.06 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.56 2pwo h ILE 141 Cb 1.22 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2pwo h ILE 141 CO 0.08 0.39 0.05 -0.37 0.00 0.00 0.00 178.15 178.31 2pwo h VAL 142 N 0.38 0.56 -0.00 1.67 -1.51 -1.14 0.94 116.25 117.13 2pwo h VAL 142 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 2pwo h VAL 142 Cb 0.65 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2pwo h VAL 142 CO 0.05 0.00 0.00 0.03 -1.23 0.00 0.00 177.57 176.42 2pwo h ARG 143 N 0.00 0.00 0.00 5.19 3.08 -1.72 -0.17 114.38 120.76 2pwo h ARG 143 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2pwo h ARG 143 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 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 -3.98 0.22 0.00 0.04 2.81 0.32 -5.19 117.12 111.34 2pwo n MET 144 Ca -0.03 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2pwo n MET 144 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2pwo n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14